USER MOD reduce.3.24.130724 H: found=0, std=0, add=988, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 978 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 117 HIS : no HE2:sc= 0.649 K(o=0.99,f=-4.7!) USER MOD Set 1.2: A 118 HIS : no HD1:sc= 0.345 K(o=0.99,f=-5.2!) USER MOD Set 2.1: A 76 GLN :FLIP amide:sc= -2.52! C(o=-15!,f=-7.2!) USER MOD Set 2.2: A 95 HIS : no HD1:sc= -4.65! C(o=-7.2!,f=-19!) USER MOD Set 3.1: A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 73 TYR OH : rot 166:sc=-0.00461 USER MOD Set 3.3: A 74 GLN : amide:sc= -2.56 X(o=-2.6,f=-2.3!) USER MOD Set 4.1: A 56 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 72 TYR OH : rot 180:sc= -0.115 USER MOD Set 5.1: A 40 TYR OH : rot 180:sc= -0.491 USER MOD Set 5.2: A 96 ASN : amide:sc= -0.219! C(o=-1.1!,f=-8.2!) USER MOD Set 5.3: A 97 THR OG1 : rot -88:sc= -0.364 USER MOD Set 5.4: A 99 MET CE :methyl -150:sc= 0 (180deg=0) USER MOD Set 6.1: A 27 SER OG : rot 109:sc= 1.11 USER MOD Set 6.2: A 52 GLN :FLIP amide:sc= -0.654! F(o=-0.26,f=0.45!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0152 USER MOD Single : A 6 GLN : amide:sc= -0.461 K(o=-0.46,f=-1.9!) USER MOD Single : A 8 LYS NZ :NH3+ -132:sc= 0.247 (180deg=-0.543) USER MOD Single : A 9 HIS : no HD1:sc= -3.66! C(o=-3.7!,f=-8.5!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -76:sc= 0.806 USER MOD Single : A 13 ASN : amide:sc= -0.124 K(o=-0.12,f=-1.7) USER MOD Single : A 16 ASN :FLIP amide:sc= -0.61 F(o=-2,f=-0.61) USER MOD Single : A 22 LYS NZ :NH3+ -161:sc= -0.0322 (180deg=-0.478) USER MOD Single : A 25 CYS SG : rot 90:sc= -1.05 USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 47 SER OG : rot -38:sc= 1.04 USER MOD Single : A 48 ASN :FLIP amide:sc= -0.594 F(o=-2.5!,f=-0.59) USER MOD Single : A 53 THR OG1 : rot 90:sc= -0.387 USER MOD Single : A 54 ASN : amide:sc= -1.11 K(o=-1.1,f=-8.2!) USER MOD Single : A 55 THR OG1 : rot -43:sc= 1.22 USER MOD Single : A 57 TYR OH : rot -165:sc= -3.12! USER MOD Single : A 58 SER OG : rot -114:sc= -0.222 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.0064) USER MOD Single : A 63 LYS NZ :NH3+ -177:sc= 1.22 (180deg=1.16) USER MOD Single : A 64 SER OG : rot 81:sc= 1.14 USER MOD Single : A 65 ASN :FLIP amide:sc= -0.0307 F(o=-0.64,f=-0.031) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.0517 K(o=-0.052,f=-1.8!) USER MOD Single : A 87 HIS : no HD1:sc= -3.25 X(o=-3.2,f=-3.4) USER MOD Single : A 89 MET CE :methyl -122:sc= 0 (180deg=-1.29) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.0312 K(o=-0.031,f=-4.5!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -74:sc= 1.04 USER MOD Single : A 112 GLN : amide:sc= -0.18 K(o=-0.18,f=-0.91) USER MOD Single : A 115 HIS : no HE2:sc= -1.53! C(o=-1.5!,f=-3.8!) USER MOD Single : A 116 HIS : no HD1:sc= 0.0441 K(o=0.044,f=-0.97) USER MOD Single : A 119 HIS : no HD1:sc= -0.525 X(o=-0.52,f=-0.34) USER MOD Single : A 120 HIS : no HE2:sc= -1.96! C(o=-2!,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.519 -7.042 17.855 1.00 0.00 N ATOM 2 CA MET A 1 -8.303 -6.675 19.074 1.00 0.00 C ATOM 3 C MET A 1 -9.801 -6.863 18.794 1.00 0.00 C ATOM 4 O MET A 1 -10.243 -7.927 18.401 1.00 0.00 O ATOM 5 CB MET A 1 -8.024 -5.210 19.434 1.00 0.00 C ATOM 6 CG MET A 1 -8.493 -4.934 20.867 1.00 0.00 C ATOM 7 SD MET A 1 -7.372 -5.749 22.032 1.00 0.00 S ATOM 8 CE MET A 1 -6.289 -4.335 22.340 1.00 0.00 C ATOM 0 H1 MET A 1 -6.504 -6.915 18.044 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.704 -8.036 17.609 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.803 -6.431 17.063 1.00 0.00 H new ATOM 0 HA MET A 1 -8.009 -7.315 19.906 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.959 -4.999 19.342 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.541 -4.549 18.738 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.513 -3.860 21.055 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.510 -5.301 21.006 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.509 -4.621 23.046 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.831 -4.016 21.403 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.872 -3.514 22.757 1.00 0.00 H new ATOM 20 N THR A 2 -10.582 -5.833 18.990 1.00 0.00 N ATOM 21 CA THR A 2 -12.051 -5.924 18.735 1.00 0.00 C ATOM 22 C THR A 2 -12.359 -5.270 17.384 1.00 0.00 C ATOM 23 O THR A 2 -13.489 -5.227 16.942 1.00 0.00 O ATOM 24 CB THR A 2 -12.803 -5.190 19.851 1.00 0.00 C ATOM 25 OG1 THR A 2 -12.190 -3.928 20.097 1.00 0.00 O ATOM 26 CG2 THR A 2 -12.775 -6.035 21.128 1.00 0.00 C ATOM 0 H THR A 2 -10.261 -4.923 19.320 1.00 0.00 H new ATOM 0 HA THR A 2 -12.366 -6.967 18.717 1.00 0.00 H new ATOM 0 HB THR A 2 -13.837 -5.031 19.544 1.00 0.00 H new ATOM 0 HG1 THR A 2 -12.675 -3.462 20.810 1.00 0.00 H new ATOM 0 HG21 THR A 2 -13.310 -5.513 21.922 1.00 0.00 H new ATOM 0 HG22 THR A 2 -13.254 -6.996 20.939 1.00 0.00 H new ATOM 0 HG23 THR A 2 -11.742 -6.198 21.434 1.00 0.00 H new ATOM 34 N LEU A 3 -11.351 -4.770 16.726 1.00 0.00 N ATOM 35 CA LEU A 3 -11.563 -4.126 15.395 1.00 0.00 C ATOM 36 C LEU A 3 -12.068 -5.174 14.399 1.00 0.00 C ATOM 37 O LEU A 3 -12.930 -4.917 13.578 1.00 0.00 O ATOM 38 CB LEU A 3 -10.231 -3.559 14.897 1.00 0.00 C ATOM 39 CG LEU A 3 -9.930 -2.220 15.594 1.00 0.00 C ATOM 40 CD1 LEU A 3 -8.417 -1.967 15.601 1.00 0.00 C ATOM 41 CD2 LEU A 3 -10.622 -1.071 14.844 1.00 0.00 C ATOM 0 H LEU A 3 -10.385 -4.779 17.052 1.00 0.00 H new ATOM 0 HA LEU A 3 -12.297 -3.325 15.486 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -9.428 -4.269 15.095 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.270 -3.415 13.817 1.00 0.00 H new ATOM 0 HG LEU A 3 -10.302 -2.267 16.617 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.209 -1.018 16.095 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.916 -2.773 16.137 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.050 -1.930 14.575 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.404 -0.127 15.344 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.254 -1.032 13.819 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -11.699 -1.238 14.837 1.00 0.00 H new ATOM 53 N GLU A 4 -11.518 -6.348 14.464 1.00 0.00 N ATOM 54 CA GLU A 4 -11.936 -7.425 13.523 1.00 0.00 C ATOM 55 C GLU A 4 -13.430 -7.721 13.703 1.00 0.00 C ATOM 56 O GLU A 4 -14.189 -7.761 12.752 1.00 0.00 O ATOM 57 CB GLU A 4 -11.135 -8.692 13.838 1.00 0.00 C ATOM 58 CG GLU A 4 -11.409 -9.766 12.779 1.00 0.00 C ATOM 59 CD GLU A 4 -10.775 -9.344 11.454 1.00 0.00 C ATOM 60 OE1 GLU A 4 -10.048 -8.364 11.452 1.00 0.00 O ATOM 61 OE2 GLU A 4 -11.023 -10.012 10.463 1.00 0.00 O ATOM 0 H GLU A 4 -10.793 -6.613 15.130 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.753 -7.105 12.497 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.070 -8.461 13.866 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.406 -9.066 14.825 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -11.001 -10.724 13.102 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -12.483 -9.904 12.654 1.00 0.00 H new ATOM 68 N LEU A 5 -13.848 -7.943 14.916 1.00 0.00 N ATOM 69 CA LEU A 5 -15.288 -8.253 15.173 1.00 0.00 C ATOM 70 C LEU A 5 -16.163 -7.042 14.814 1.00 0.00 C ATOM 71 O LEU A 5 -17.210 -7.172 14.207 1.00 0.00 O ATOM 72 CB LEU A 5 -15.466 -8.586 16.657 1.00 0.00 C ATOM 73 CG LEU A 5 -15.030 -10.028 16.919 1.00 0.00 C ATOM 74 CD1 LEU A 5 -13.548 -10.188 16.568 1.00 0.00 C ATOM 75 CD2 LEU A 5 -15.243 -10.364 18.398 1.00 0.00 C ATOM 0 H LEU A 5 -13.256 -7.924 15.746 1.00 0.00 H new ATOM 0 HA LEU A 5 -15.590 -9.101 14.559 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -14.876 -7.901 17.266 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -16.508 -8.453 16.947 1.00 0.00 H new ATOM 0 HG LEU A 5 -15.623 -10.704 16.302 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -13.239 -11.216 16.755 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -13.396 -9.949 15.515 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -12.953 -9.513 17.183 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -14.933 -11.392 18.586 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -14.650 -9.688 19.014 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -16.298 -10.252 18.648 1.00 0.00 H new ATOM 87 N GLN A 6 -15.737 -5.868 15.186 1.00 0.00 N ATOM 88 CA GLN A 6 -16.540 -4.648 14.871 1.00 0.00 C ATOM 89 C GLN A 6 -16.557 -4.440 13.356 1.00 0.00 C ATOM 90 O GLN A 6 -17.536 -3.997 12.782 1.00 0.00 O ATOM 91 CB GLN A 6 -15.911 -3.428 15.547 1.00 0.00 C ATOM 92 CG GLN A 6 -16.078 -3.523 17.066 1.00 0.00 C ATOM 93 CD GLN A 6 -17.522 -3.189 17.457 1.00 0.00 C ATOM 94 OE1 GLN A 6 -18.417 -3.989 17.266 1.00 0.00 O ATOM 95 NE2 GLN A 6 -17.787 -2.031 17.998 1.00 0.00 N ATOM 0 H GLN A 6 -14.869 -5.698 15.694 1.00 0.00 H new ATOM 0 HA GLN A 6 -17.558 -4.775 15.238 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -14.853 -3.367 15.293 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -16.380 -2.516 15.178 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -15.824 -4.527 17.406 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -15.391 -2.836 17.559 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -17.036 -1.359 18.159 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -18.745 -1.798 18.260 1.00 0.00 H new ATOM 104 N LEU A 7 -15.474 -4.759 12.707 1.00 0.00 N ATOM 105 CA LEU A 7 -15.414 -4.585 11.227 1.00 0.00 C ATOM 106 C LEU A 7 -16.461 -5.487 10.564 1.00 0.00 C ATOM 107 O LEU A 7 -17.185 -5.080 9.674 1.00 0.00 O ATOM 108 CB LEU A 7 -14.021 -4.987 10.731 1.00 0.00 C ATOM 109 CG LEU A 7 -13.934 -4.830 9.204 1.00 0.00 C ATOM 110 CD1 LEU A 7 -14.170 -3.362 8.814 1.00 0.00 C ATOM 111 CD2 LEU A 7 -12.549 -5.277 8.727 1.00 0.00 C ATOM 0 H LEU A 7 -14.627 -5.133 13.135 1.00 0.00 H new ATOM 0 HA LEU A 7 -15.614 -3.544 10.973 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -13.264 -4.367 11.211 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -13.812 -6.020 11.010 1.00 0.00 H new ATOM 0 HG LEU A 7 -14.698 -5.448 8.733 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -14.107 -3.259 7.731 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -15.159 -3.050 9.151 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -13.412 -2.735 9.283 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -12.484 -5.167 7.645 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.785 -4.661 9.201 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -12.391 -6.322 8.996 1.00 0.00 H new ATOM 123 N LYS A 8 -16.538 -6.713 10.997 1.00 0.00 N ATOM 124 CA LYS A 8 -17.529 -7.660 10.408 1.00 0.00 C ATOM 125 C LYS A 8 -18.950 -7.204 10.753 1.00 0.00 C ATOM 126 O LYS A 8 -19.845 -7.224 9.927 1.00 0.00 O ATOM 127 CB LYS A 8 -17.300 -9.056 10.989 1.00 0.00 C ATOM 128 CG LYS A 8 -15.980 -9.627 10.463 1.00 0.00 C ATOM 129 CD LYS A 8 -15.749 -11.018 11.062 1.00 0.00 C ATOM 130 CE LYS A 8 -14.407 -11.572 10.575 1.00 0.00 C ATOM 131 NZ LYS A 8 -14.430 -11.699 9.089 1.00 0.00 N ATOM 0 H LYS A 8 -15.955 -7.104 11.737 1.00 0.00 H new ATOM 0 HA LYS A 8 -17.406 -7.681 9.325 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -17.278 -9.008 12.078 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -18.126 -9.713 10.716 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -16.006 -9.688 9.375 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.155 -8.965 10.726 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -15.757 -10.962 12.151 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -16.558 -11.689 10.771 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -13.596 -10.911 10.881 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -14.216 -12.544 11.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -14.080 -12.639 8.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -15.404 -11.579 8.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -13.822 -10.967 8.669 1.00 0.00 H new ATOM 145 N HIS A 9 -19.157 -6.797 11.972 1.00 0.00 N ATOM 146 CA HIS A 9 -20.514 -6.341 12.395 1.00 0.00 C ATOM 147 C HIS A 9 -20.879 -5.041 11.669 1.00 0.00 C ATOM 148 O HIS A 9 -21.988 -4.862 11.200 1.00 0.00 O ATOM 149 CB HIS A 9 -20.515 -6.090 13.902 1.00 0.00 C ATOM 150 CG HIS A 9 -20.311 -7.388 14.633 1.00 0.00 C ATOM 151 ND1 HIS A 9 -21.095 -8.500 14.390 1.00 0.00 N ATOM 152 CD2 HIS A 9 -19.422 -7.762 15.613 1.00 0.00 C ATOM 153 CE1 HIS A 9 -20.669 -9.484 15.202 1.00 0.00 C ATOM 154 NE2 HIS A 9 -19.651 -9.088 15.969 1.00 0.00 N ATOM 0 H HIS A 9 -18.443 -6.759 12.699 1.00 0.00 H new ATOM 0 HA HIS A 9 -21.244 -7.111 12.145 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.725 -5.386 14.164 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -21.459 -5.636 14.204 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -18.662 -7.125 16.041 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -21.099 -10.474 15.230 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -19.149 -9.638 16.666 1.00 0.00 H new ATOM 162 N TYR A 10 -19.954 -4.127 11.584 1.00 0.00 N ATOM 163 CA TYR A 10 -20.242 -2.835 10.893 1.00 0.00 C ATOM 164 C TYR A 10 -20.559 -3.091 9.417 1.00 0.00 C ATOM 165 O TYR A 10 -21.542 -2.615 8.880 1.00 0.00 O ATOM 166 CB TYR A 10 -19.015 -1.926 10.991 1.00 0.00 C ATOM 167 CG TYR A 10 -19.271 -0.650 10.223 1.00 0.00 C ATOM 168 CD1 TYR A 10 -20.107 0.331 10.760 1.00 0.00 C ATOM 169 CD2 TYR A 10 -18.670 -0.448 8.972 1.00 0.00 C ATOM 170 CE1 TYR A 10 -20.349 1.512 10.051 1.00 0.00 C ATOM 171 CE2 TYR A 10 -18.913 0.733 8.260 1.00 0.00 C ATOM 172 CZ TYR A 10 -19.752 1.714 8.801 1.00 0.00 C ATOM 173 OH TYR A 10 -19.992 2.879 8.101 1.00 0.00 O ATOM 0 H TYR A 10 -19.011 -4.216 11.962 1.00 0.00 H new ATOM 0 HA TYR A 10 -21.099 -2.358 11.369 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -18.801 -1.698 12.035 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -18.139 -2.435 10.590 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -20.568 0.178 11.725 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -18.019 -1.204 8.558 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -20.997 2.269 10.468 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -18.454 0.887 7.295 1.00 0.00 H new ATOM 0 HH TYR A 10 -19.500 2.859 7.254 1.00 0.00 H new ATOM 183 N ILE A 11 -19.727 -3.840 8.757 1.00 0.00 N ATOM 184 CA ILE A 11 -19.959 -4.129 7.309 1.00 0.00 C ATOM 185 C ILE A 11 -21.238 -4.953 7.127 1.00 0.00 C ATOM 186 O ILE A 11 -22.026 -4.712 6.233 1.00 0.00 O ATOM 187 CB ILE A 11 -18.766 -4.907 6.748 1.00 0.00 C ATOM 188 CG1 ILE A 11 -17.523 -4.001 6.726 1.00 0.00 C ATOM 189 CG2 ILE A 11 -19.074 -5.399 5.329 1.00 0.00 C ATOM 190 CD1 ILE A 11 -17.732 -2.784 5.797 1.00 0.00 C ATOM 0 H ILE A 11 -18.891 -4.269 9.155 1.00 0.00 H new ATOM 0 HA ILE A 11 -20.069 -3.186 6.774 1.00 0.00 H new ATOM 0 HB ILE A 11 -18.575 -5.770 7.386 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -17.304 -3.656 7.737 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -16.659 -4.574 6.390 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -18.218 -5.951 4.941 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -19.946 -6.052 5.352 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -19.277 -4.544 4.684 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -16.836 -2.163 5.803 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -17.926 -3.130 4.782 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -18.581 -2.199 6.150 1.00 0.00 H new ATOM 202 N THR A 12 -21.431 -5.936 7.950 1.00 0.00 N ATOM 203 CA THR A 12 -22.641 -6.795 7.814 1.00 0.00 C ATOM 204 C THR A 12 -23.903 -5.992 8.141 1.00 0.00 C ATOM 205 O THR A 12 -24.967 -6.228 7.598 1.00 0.00 O ATOM 206 CB THR A 12 -22.528 -7.980 8.778 1.00 0.00 C ATOM 207 OG1 THR A 12 -22.345 -7.493 10.103 1.00 0.00 O ATOM 208 CG2 THR A 12 -21.337 -8.873 8.393 1.00 0.00 C ATOM 0 H THR A 12 -20.804 -6.187 8.715 1.00 0.00 H new ATOM 0 HA THR A 12 -22.709 -7.155 6.787 1.00 0.00 H new ATOM 0 HB THR A 12 -23.443 -8.570 8.722 1.00 0.00 H new ATOM 0 HG1 THR A 12 -21.423 -7.180 10.212 1.00 0.00 H new ATOM 0 HG21 THR A 12 -21.271 -9.710 9.088 1.00 0.00 H new ATOM 0 HG22 THR A 12 -21.478 -9.252 7.381 1.00 0.00 H new ATOM 0 HG23 THR A 12 -20.417 -8.291 8.437 1.00 0.00 H new ATOM 216 N ASN A 13 -23.793 -5.050 9.030 1.00 0.00 N ATOM 217 CA ASN A 13 -24.985 -4.234 9.406 1.00 0.00 C ATOM 218 C ASN A 13 -25.469 -3.415 8.202 1.00 0.00 C ATOM 219 O ASN A 13 -26.641 -3.394 7.875 1.00 0.00 O ATOM 220 CB ASN A 13 -24.585 -3.282 10.532 1.00 0.00 C ATOM 221 CG ASN A 13 -25.783 -2.417 10.928 1.00 0.00 C ATOM 222 OD1 ASN A 13 -26.915 -2.769 10.665 1.00 0.00 O ATOM 223 ND2 ASN A 13 -25.578 -1.291 11.558 1.00 0.00 N ATOM 0 H ASN A 13 -22.930 -4.806 9.516 1.00 0.00 H new ATOM 0 HA ASN A 13 -25.790 -4.894 9.730 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -24.234 -3.850 11.394 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -23.758 -2.649 10.209 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -26.369 -0.707 11.829 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -24.627 -0.996 11.779 1.00 0.00 H new ATOM 230 N LEU A 14 -24.570 -2.738 7.552 1.00 0.00 N ATOM 231 CA LEU A 14 -24.953 -1.902 6.369 1.00 0.00 C ATOM 232 C LEU A 14 -25.450 -2.778 5.213 1.00 0.00 C ATOM 233 O LEU A 14 -26.411 -2.452 4.543 1.00 0.00 O ATOM 234 CB LEU A 14 -23.732 -1.092 5.919 1.00 0.00 C ATOM 235 CG LEU A 14 -23.630 0.207 6.737 1.00 0.00 C ATOM 236 CD1 LEU A 14 -24.765 1.185 6.343 1.00 0.00 C ATOM 237 CD2 LEU A 14 -23.716 -0.117 8.241 1.00 0.00 C ATOM 0 H LEU A 14 -23.577 -2.723 7.785 1.00 0.00 H new ATOM 0 HA LEU A 14 -25.764 -1.233 6.656 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -22.826 -1.684 6.047 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -23.812 -0.857 4.858 1.00 0.00 H new ATOM 0 HG LEU A 14 -22.672 0.681 6.524 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -24.678 2.099 6.931 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -24.686 1.427 5.283 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -25.731 0.719 6.537 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -23.643 0.806 8.817 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -24.668 -0.604 8.454 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -22.898 -0.782 8.517 1.00 0.00 H new ATOM 249 N PHE A 15 -24.804 -3.875 4.961 1.00 0.00 N ATOM 250 CA PHE A 15 -25.240 -4.752 3.832 1.00 0.00 C ATOM 251 C PHE A 15 -26.180 -5.843 4.363 1.00 0.00 C ATOM 252 O PHE A 15 -26.704 -6.651 3.617 1.00 0.00 O ATOM 253 CB PHE A 15 -24.001 -5.382 3.186 1.00 0.00 C ATOM 254 CG PHE A 15 -23.245 -4.330 2.406 1.00 0.00 C ATOM 255 CD1 PHE A 15 -23.686 -3.954 1.133 1.00 0.00 C ATOM 256 CD2 PHE A 15 -22.109 -3.722 2.960 1.00 0.00 C ATOM 257 CE1 PHE A 15 -22.988 -2.984 0.404 1.00 0.00 C ATOM 258 CE2 PHE A 15 -21.411 -2.749 2.232 1.00 0.00 C ATOM 259 CZ PHE A 15 -21.855 -2.375 0.957 1.00 0.00 C ATOM 0 H PHE A 15 -23.993 -4.208 5.483 1.00 0.00 H new ATOM 0 HA PHE A 15 -25.775 -4.165 3.086 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -23.358 -5.813 3.953 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -24.297 -6.196 2.525 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -24.568 -4.413 0.711 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -21.772 -4.003 3.947 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -23.323 -2.706 -0.584 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -20.531 -2.287 2.654 1.00 0.00 H new ATOM 0 HZ PHE A 15 -21.323 -1.617 0.401 1.00 0.00 H new ATOM 269 N ASN A 16 -26.399 -5.857 5.651 1.00 0.00 N ATOM 270 CA ASN A 16 -27.310 -6.878 6.258 1.00 0.00 C ATOM 271 C ASN A 16 -26.837 -8.287 5.887 1.00 0.00 C ATOM 272 O ASN A 16 -27.626 -9.177 5.622 1.00 0.00 O ATOM 273 CB ASN A 16 -28.744 -6.653 5.768 1.00 0.00 C ATOM 274 CG ASN A 16 -29.132 -5.191 6.013 1.00 0.00 C ATOM 275 OD1 ASN A 16 -28.760 -4.603 7.122 1.00 0.00 O flip ATOM 276 ND2 ASN A 16 -29.782 -4.573 5.191 1.00 0.00 N flip ATOM 0 H ASN A 16 -25.985 -5.202 6.314 1.00 0.00 H new ATOM 0 HA ASN A 16 -27.289 -6.776 7.343 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -28.821 -6.890 4.707 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -29.430 -7.318 6.293 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -30.074 -5.027 4.326 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -30.035 -3.601 5.367 1.00 0.00 H new ATOM 283 N LEU A 17 -25.552 -8.491 5.865 1.00 0.00 N ATOM 284 CA LEU A 17 -25.013 -9.835 5.513 1.00 0.00 C ATOM 285 C LEU A 17 -25.067 -10.745 6.746 1.00 0.00 C ATOM 286 O LEU A 17 -24.947 -10.283 7.865 1.00 0.00 O ATOM 287 CB LEU A 17 -23.558 -9.683 5.056 1.00 0.00 C ATOM 288 CG LEU A 17 -23.493 -8.771 3.822 1.00 0.00 C ATOM 289 CD1 LEU A 17 -22.101 -8.138 3.719 1.00 0.00 C ATOM 290 CD2 LEU A 17 -23.773 -9.585 2.553 1.00 0.00 C ATOM 0 H LEU A 17 -24.848 -7.784 6.076 1.00 0.00 H new ATOM 0 HA LEU A 17 -25.609 -10.274 4.713 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -22.956 -9.263 5.862 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -23.137 -10.660 4.820 1.00 0.00 H new ATOM 0 HG LEU A 17 -24.245 -7.988 3.922 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -22.059 -7.492 2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -21.902 -7.549 4.614 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -21.350 -8.923 3.627 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -23.725 -8.930 1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -23.028 -10.374 2.455 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -24.766 -10.030 2.618 1.00 0.00 H new ATOM 302 N PRO A 18 -25.242 -12.027 6.551 1.00 0.00 N ATOM 303 CA PRO A 18 -25.316 -12.997 7.680 1.00 0.00 C ATOM 304 C PRO A 18 -23.996 -13.063 8.466 1.00 0.00 C ATOM 305 O PRO A 18 -22.921 -13.168 7.906 1.00 0.00 O ATOM 306 CB PRO A 18 -25.645 -14.342 6.994 1.00 0.00 C ATOM 307 CG PRO A 18 -25.225 -14.173 5.566 1.00 0.00 C ATOM 308 CD PRO A 18 -25.393 -12.690 5.247 1.00 0.00 C ATOM 0 HA PRO A 18 -26.063 -12.715 8.422 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -25.109 -15.165 7.466 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -26.708 -14.570 7.066 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -24.191 -14.487 5.424 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -25.838 -14.786 4.905 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -24.642 -12.347 4.535 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -26.368 -12.485 4.805 1.00 0.00 H new ATOM 316 N ARG A 19 -24.085 -12.994 9.766 1.00 0.00 N ATOM 317 CA ARG A 19 -22.861 -13.045 10.620 1.00 0.00 C ATOM 318 C ARG A 19 -22.558 -14.500 11.005 1.00 0.00 C ATOM 319 O ARG A 19 -21.484 -14.818 11.482 1.00 0.00 O ATOM 320 CB ARG A 19 -23.110 -12.233 11.892 1.00 0.00 C ATOM 321 CG ARG A 19 -23.211 -10.742 11.553 1.00 0.00 C ATOM 322 CD ARG A 19 -23.496 -9.946 12.833 1.00 0.00 C ATOM 323 NE ARG A 19 -23.591 -8.492 12.515 1.00 0.00 N ATOM 324 CZ ARG A 19 -23.831 -7.618 13.460 1.00 0.00 C ATOM 325 NH1 ARG A 19 -23.961 -8.005 14.700 1.00 0.00 N ATOM 326 NH2 ARG A 19 -23.940 -6.353 13.162 1.00 0.00 N ATOM 0 H ARG A 19 -24.962 -12.904 10.279 1.00 0.00 H new ATOM 0 HA ARG A 19 -22.015 -12.633 10.070 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -24.029 -12.568 12.372 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -22.300 -12.398 12.603 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -22.283 -10.398 11.097 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -24.005 -10.576 10.824 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -24.426 -10.290 13.286 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -22.704 -10.117 13.562 1.00 0.00 H new ATOM 0 HE ARG A 19 -23.468 -8.176 11.553 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -23.876 -8.993 14.937 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -24.148 -7.319 15.431 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -23.838 -6.046 12.195 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -24.127 -5.670 13.896 1.00 0.00 H new ATOM 340 N ASP A 20 -23.497 -15.383 10.806 1.00 0.00 N ATOM 341 CA ASP A 20 -23.268 -16.815 11.166 1.00 0.00 C ATOM 342 C ASP A 20 -22.566 -17.529 10.007 1.00 0.00 C ATOM 343 O ASP A 20 -22.297 -18.714 10.064 1.00 0.00 O ATOM 344 CB ASP A 20 -24.617 -17.490 11.454 1.00 0.00 C ATOM 345 CG ASP A 20 -25.564 -17.308 10.264 1.00 0.00 C ATOM 346 OD1 ASP A 20 -25.186 -16.622 9.327 1.00 0.00 O ATOM 347 OD2 ASP A 20 -26.651 -17.861 10.308 1.00 0.00 O ATOM 0 H ASP A 20 -24.414 -15.177 10.410 1.00 0.00 H new ATOM 0 HA ASP A 20 -22.639 -16.873 12.054 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.466 -18.552 11.649 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.062 -17.061 12.352 1.00 0.00 H new ATOM 352 N GLU A 21 -22.265 -16.814 8.957 1.00 0.00 N ATOM 353 CA GLU A 21 -21.579 -17.443 7.785 1.00 0.00 C ATOM 354 C GLU A 21 -20.078 -17.138 7.827 1.00 0.00 C ATOM 355 O GLU A 21 -19.656 -15.999 7.785 1.00 0.00 O ATOM 356 CB GLU A 21 -22.184 -16.898 6.488 1.00 0.00 C ATOM 357 CG GLU A 21 -21.528 -17.596 5.294 1.00 0.00 C ATOM 358 CD GLU A 21 -22.187 -17.136 3.994 1.00 0.00 C ATOM 359 OE1 GLU A 21 -23.251 -16.546 4.064 1.00 0.00 O ATOM 360 OE2 GLU A 21 -21.614 -17.387 2.946 1.00 0.00 O ATOM 0 H GLU A 21 -22.464 -15.819 8.857 1.00 0.00 H new ATOM 0 HA GLU A 21 -21.719 -18.523 7.825 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -23.261 -17.066 6.476 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -22.029 -15.821 6.425 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -20.462 -17.370 5.271 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -21.623 -18.677 5.397 1.00 0.00 H new ATOM 367 N LYS A 22 -19.275 -18.164 7.915 1.00 0.00 N ATOM 368 CA LYS A 22 -17.796 -17.975 7.965 1.00 0.00 C ATOM 369 C LYS A 22 -17.247 -17.715 6.563 1.00 0.00 C ATOM 370 O LYS A 22 -17.669 -18.313 5.591 1.00 0.00 O ATOM 371 CB LYS A 22 -17.143 -19.229 8.547 1.00 0.00 C ATOM 372 CG LYS A 22 -15.632 -19.011 8.673 1.00 0.00 C ATOM 373 CD LYS A 22 -14.989 -20.225 9.347 1.00 0.00 C ATOM 374 CE LYS A 22 -13.486 -19.984 9.511 1.00 0.00 C ATOM 375 NZ LYS A 22 -12.858 -19.805 8.172 1.00 0.00 N ATOM 0 H LYS A 22 -19.584 -19.135 7.955 1.00 0.00 H new ATOM 0 HA LYS A 22 -17.569 -17.116 8.596 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -17.571 -19.454 9.524 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -17.344 -20.087 7.906 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -15.194 -18.856 7.687 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -15.432 -18.112 9.255 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -15.448 -20.399 10.320 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -15.161 -21.120 8.749 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.314 -19.100 10.125 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.027 -20.826 10.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.833 -19.963 8.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.266 -20.489 7.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.036 -18.839 7.831 1.00 0.00 H new ATOM 389 N TRP A 23 -16.310 -16.816 6.460 1.00 0.00 N ATOM 390 CA TRP A 23 -15.712 -16.480 5.133 1.00 0.00 C ATOM 391 C TRP A 23 -14.339 -17.133 4.993 1.00 0.00 C ATOM 392 O TRP A 23 -13.724 -17.536 5.963 1.00 0.00 O ATOM 393 CB TRP A 23 -15.552 -14.961 5.028 1.00 0.00 C ATOM 394 CG TRP A 23 -16.812 -14.280 5.455 1.00 0.00 C ATOM 395 CD1 TRP A 23 -18.050 -14.829 5.426 1.00 0.00 C ATOM 396 CD2 TRP A 23 -16.979 -12.927 5.973 1.00 0.00 C ATOM 397 NE1 TRP A 23 -18.962 -13.900 5.896 1.00 0.00 N ATOM 398 CE2 TRP A 23 -18.349 -12.718 6.256 1.00 0.00 C ATOM 399 CE3 TRP A 23 -16.078 -11.884 6.250 1.00 0.00 C ATOM 400 CZ2 TRP A 23 -18.813 -11.499 6.754 1.00 0.00 C ATOM 401 CZ3 TRP A 23 -16.541 -10.659 6.754 1.00 0.00 C ATOM 402 CH2 TRP A 23 -17.905 -10.473 7.022 1.00 0.00 C ATOM 0 H TRP A 23 -15.927 -16.292 7.247 1.00 0.00 H new ATOM 0 HA TRP A 23 -16.367 -16.848 4.343 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -14.722 -14.631 5.653 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -15.309 -14.683 4.002 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -18.287 -15.828 5.091 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -19.965 -14.069 5.967 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -15.022 -12.027 6.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -19.868 -11.351 6.931 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -15.843 -9.855 6.937 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -18.252 -9.538 7.435 1.00 0.00 H new ATOM 413 N GLU A 24 -13.854 -17.232 3.782 1.00 0.00 N ATOM 414 CA GLU A 24 -12.519 -17.852 3.543 1.00 0.00 C ATOM 415 C GLU A 24 -11.536 -16.752 3.153 1.00 0.00 C ATOM 416 O GLU A 24 -11.694 -16.084 2.147 1.00 0.00 O ATOM 417 CB GLU A 24 -12.634 -18.867 2.409 1.00 0.00 C ATOM 418 CG GLU A 24 -11.306 -19.607 2.251 1.00 0.00 C ATOM 419 CD GLU A 24 -11.470 -20.758 1.253 1.00 0.00 C ATOM 420 OE1 GLU A 24 -12.601 -21.106 0.958 1.00 0.00 O ATOM 421 OE2 GLU A 24 -10.459 -21.273 0.805 1.00 0.00 O ATOM 0 H GLU A 24 -14.332 -16.906 2.942 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.169 -18.358 4.443 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.435 -19.576 2.621 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.894 -18.361 1.479 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.535 -18.919 1.904 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.977 -19.994 3.216 1.00 0.00 H new ATOM 428 N CYS A 25 -10.536 -16.545 3.961 1.00 0.00 N ATOM 429 CA CYS A 25 -9.533 -15.473 3.677 1.00 0.00 C ATOM 430 C CYS A 25 -8.274 -16.067 3.058 1.00 0.00 C ATOM 431 O CYS A 25 -7.823 -17.137 3.420 1.00 0.00 O ATOM 432 CB CYS A 25 -9.180 -14.753 4.979 1.00 0.00 C ATOM 433 SG CYS A 25 -7.696 -13.740 4.739 1.00 0.00 S ATOM 0 H CYS A 25 -10.366 -17.076 4.815 1.00 0.00 H new ATOM 0 HA CYS A 25 -9.964 -14.764 2.969 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -10.013 -14.125 5.295 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -9.010 -15.480 5.773 1.00 0.00 H new ATOM 0 HG CYS A 25 -8.042 -12.550 4.346 1.00 0.00 H new ATOM 439 N GLU A 26 -7.707 -15.356 2.125 1.00 0.00 N ATOM 440 CA GLU A 26 -6.464 -15.819 1.446 1.00 0.00 C ATOM 441 C GLU A 26 -5.298 -14.954 1.922 1.00 0.00 C ATOM 442 O GLU A 26 -5.372 -13.733 1.935 1.00 0.00 O ATOM 443 CB GLU A 26 -6.641 -15.697 -0.072 1.00 0.00 C ATOM 444 CG GLU A 26 -7.077 -14.277 -0.438 1.00 0.00 C ATOM 445 CD GLU A 26 -7.392 -14.215 -1.937 1.00 0.00 C ATOM 446 OE1 GLU A 26 -6.762 -14.943 -2.685 1.00 0.00 O ATOM 447 OE2 GLU A 26 -8.268 -13.450 -2.308 1.00 0.00 O ATOM 0 H GLU A 26 -8.059 -14.456 1.798 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.261 -16.862 1.689 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.705 -15.940 -0.576 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.385 -16.415 -0.418 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.955 -13.993 0.142 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.288 -13.567 -0.191 1.00 0.00 H new ATOM 454 N SER A 27 -4.232 -15.583 2.341 1.00 0.00 N ATOM 455 CA SER A 27 -3.050 -14.826 2.851 1.00 0.00 C ATOM 456 C SER A 27 -1.984 -14.707 1.763 1.00 0.00 C ATOM 457 O SER A 27 -1.482 -15.690 1.246 1.00 0.00 O ATOM 458 CB SER A 27 -2.465 -15.564 4.053 1.00 0.00 C ATOM 459 OG SER A 27 -1.195 -15.012 4.374 1.00 0.00 O ATOM 0 H SER A 27 -4.128 -16.598 2.352 1.00 0.00 H new ATOM 0 HA SER A 27 -3.367 -13.825 3.143 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.137 -15.480 4.907 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.366 -16.626 3.829 1.00 0.00 H new ATOM 0 HG SER A 27 -1.262 -14.501 5.208 1.00 0.00 H new ATOM 465 N ILE A 28 -1.635 -13.500 1.425 1.00 0.00 N ATOM 466 CA ILE A 28 -0.593 -13.264 0.383 1.00 0.00 C ATOM 467 C ILE A 28 0.265 -12.070 0.787 1.00 0.00 C ATOM 468 O ILE A 28 -0.186 -11.166 1.465 1.00 0.00 O ATOM 469 CB ILE A 28 -1.261 -12.999 -0.969 1.00 0.00 C ATOM 470 CG1 ILE A 28 -2.224 -11.811 -0.854 1.00 0.00 C ATOM 471 CG2 ILE A 28 -2.028 -14.246 -1.406 1.00 0.00 C ATOM 472 CD1 ILE A 28 -2.815 -11.500 -2.231 1.00 0.00 C ATOM 0 H ILE A 28 -2.032 -12.652 1.831 1.00 0.00 H new ATOM 0 HA ILE A 28 0.040 -14.147 0.294 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.497 -12.763 -1.709 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.021 -12.042 -0.148 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.698 -10.939 -0.466 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.505 -14.061 -2.368 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.337 -15.084 -1.498 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.790 -14.484 -0.663 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.500 -10.656 -2.151 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.011 -11.251 -2.924 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.355 -12.372 -2.600 1.00 0.00 H new ATOM 484 N GLU A 29 1.500 -12.067 0.375 1.00 0.00 N ATOM 485 CA GLU A 29 2.418 -10.946 0.724 1.00 0.00 C ATOM 486 C GLU A 29 2.517 -9.983 -0.460 1.00 0.00 C ATOM 487 O GLU A 29 2.893 -10.361 -1.555 1.00 0.00 O ATOM 488 CB GLU A 29 3.802 -11.516 1.044 1.00 0.00 C ATOM 489 CG GLU A 29 4.703 -10.396 1.562 1.00 0.00 C ATOM 490 CD GLU A 29 6.058 -10.968 1.991 1.00 0.00 C ATOM 491 OE1 GLU A 29 6.350 -12.094 1.624 1.00 0.00 O ATOM 492 OE2 GLU A 29 6.782 -10.267 2.679 1.00 0.00 O ATOM 0 H GLU A 29 1.919 -12.802 -0.196 1.00 0.00 H new ATOM 0 HA GLU A 29 2.035 -10.409 1.592 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.719 -12.306 1.791 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.238 -11.965 0.152 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.846 -9.645 0.785 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.227 -9.896 2.405 1.00 0.00 H new ATOM 499 N GLU A 30 2.176 -8.738 -0.248 1.00 0.00 N ATOM 500 CA GLU A 30 2.238 -7.735 -1.357 1.00 0.00 C ATOM 501 C GLU A 30 2.782 -6.409 -0.823 1.00 0.00 C ATOM 502 O GLU A 30 2.752 -6.139 0.364 1.00 0.00 O ATOM 503 CB GLU A 30 0.834 -7.508 -1.922 1.00 0.00 C ATOM 504 CG GLU A 30 0.319 -8.790 -2.584 1.00 0.00 C ATOM 505 CD GLU A 30 1.196 -9.143 -3.786 1.00 0.00 C ATOM 506 OE1 GLU A 30 1.887 -8.260 -4.269 1.00 0.00 O ATOM 507 OE2 GLU A 30 1.165 -10.289 -4.202 1.00 0.00 O ATOM 0 H GLU A 30 1.856 -8.370 0.648 1.00 0.00 H new ATOM 0 HA GLU A 30 2.895 -8.111 -2.142 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.157 -7.205 -1.123 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.853 -6.696 -2.649 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.326 -9.609 -1.865 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.714 -8.655 -2.904 1.00 0.00 H new ATOM 514 N VAL A 31 3.276 -5.584 -1.703 1.00 0.00 N ATOM 515 CA VAL A 31 3.827 -4.268 -1.285 1.00 0.00 C ATOM 516 C VAL A 31 2.688 -3.276 -1.037 1.00 0.00 C ATOM 517 O VAL A 31 1.746 -3.183 -1.801 1.00 0.00 O ATOM 518 CB VAL A 31 4.762 -3.732 -2.370 1.00 0.00 C ATOM 519 CG1 VAL A 31 5.493 -2.491 -1.850 1.00 0.00 C ATOM 520 CG2 VAL A 31 5.793 -4.807 -2.726 1.00 0.00 C ATOM 0 H VAL A 31 3.321 -5.769 -2.705 1.00 0.00 H new ATOM 0 HA VAL A 31 4.389 -4.395 -0.360 1.00 0.00 H new ATOM 0 HB VAL A 31 4.179 -3.470 -3.253 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.159 -2.110 -2.624 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.765 -1.723 -1.587 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.076 -2.755 -0.968 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.461 -4.428 -3.499 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.373 -5.063 -1.839 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.280 -5.696 -3.093 1.00 0.00 H new ATOM 530 N ALA A 32 2.776 -2.541 0.034 1.00 0.00 N ATOM 531 CA ALA A 32 1.714 -1.546 0.365 1.00 0.00 C ATOM 532 C ALA A 32 1.527 -0.560 -0.798 1.00 0.00 C ATOM 533 O ALA A 32 0.433 -0.099 -1.069 1.00 0.00 O ATOM 534 CB ALA A 32 2.139 -0.776 1.615 1.00 0.00 C ATOM 0 H ALA A 32 3.545 -2.586 0.703 1.00 0.00 H new ATOM 0 HA ALA A 32 0.772 -2.066 0.540 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.372 -0.044 1.870 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.267 -1.471 2.445 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.081 -0.263 1.423 1.00 0.00 H new ATOM 540 N ASP A 33 2.586 -0.233 -1.486 1.00 0.00 N ATOM 541 CA ASP A 33 2.471 0.725 -2.629 1.00 0.00 C ATOM 542 C ASP A 33 1.773 0.046 -3.816 1.00 0.00 C ATOM 543 O ASP A 33 1.489 0.668 -4.821 1.00 0.00 O ATOM 544 CB ASP A 33 3.876 1.179 -3.050 1.00 0.00 C ATOM 545 CG ASP A 33 4.637 0.015 -3.694 1.00 0.00 C ATOM 546 OD1 ASP A 33 4.113 -1.087 -3.700 1.00 0.00 O ATOM 547 OD2 ASP A 33 5.735 0.247 -4.171 1.00 0.00 O ATOM 0 H ASP A 33 3.527 -0.586 -1.309 1.00 0.00 H new ATOM 0 HA ASP A 33 1.882 1.588 -2.319 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.803 2.009 -3.753 1.00 0.00 H new ATOM 0 HB3 ASP A 33 4.423 1.545 -2.181 1.00 0.00 H new ATOM 552 N ASP A 34 1.501 -1.226 -3.705 1.00 0.00 N ATOM 553 CA ASP A 34 0.826 -1.966 -4.819 1.00 0.00 C ATOM 554 C ASP A 34 -0.645 -2.218 -4.457 1.00 0.00 C ATOM 555 O ASP A 34 -1.353 -2.929 -5.144 1.00 0.00 O ATOM 556 CB ASP A 34 1.548 -3.302 -5.020 1.00 0.00 C ATOM 557 CG ASP A 34 1.069 -3.972 -6.312 1.00 0.00 C ATOM 558 OD1 ASP A 34 0.149 -3.455 -6.919 1.00 0.00 O ATOM 559 OD2 ASP A 34 1.642 -4.988 -6.673 1.00 0.00 O ATOM 0 H ASP A 34 1.718 -1.792 -2.885 1.00 0.00 H new ATOM 0 HA ASP A 34 0.865 -1.379 -5.737 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.625 -3.139 -5.064 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.359 -3.958 -4.170 1.00 0.00 H new ATOM 564 N ILE A 35 -1.108 -1.647 -3.378 1.00 0.00 N ATOM 565 CA ILE A 35 -2.531 -1.856 -2.961 1.00 0.00 C ATOM 566 C ILE A 35 -3.068 -0.585 -2.315 1.00 0.00 C ATOM 567 O ILE A 35 -4.243 -0.282 -2.398 1.00 0.00 O ATOM 568 CB ILE A 35 -2.603 -3.009 -1.958 1.00 0.00 C ATOM 569 CG1 ILE A 35 -1.638 -2.747 -0.797 1.00 0.00 C ATOM 570 CG2 ILE A 35 -2.215 -4.309 -2.658 1.00 0.00 C ATOM 571 CD1 ILE A 35 -1.804 -3.832 0.270 1.00 0.00 C ATOM 0 H ILE A 35 -0.563 -1.042 -2.763 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.133 -2.097 -3.837 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.618 -3.089 -1.569 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.611 -2.736 -1.161 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.833 -1.766 -0.364 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.265 -5.134 -1.947 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.903 -4.498 -3.482 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.200 -4.225 -3.045 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.116 -3.641 1.093 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.828 -3.821 0.643 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.587 -4.807 -0.166 1.00 0.00 H new ATOM 583 N LEU A 36 -2.215 0.163 -1.662 1.00 0.00 N ATOM 584 CA LEU A 36 -2.675 1.417 -0.996 1.00 0.00 C ATOM 585 C LEU A 36 -2.319 2.633 -1.870 1.00 0.00 C ATOM 586 O LEU A 36 -1.175 2.809 -2.242 1.00 0.00 O ATOM 587 CB LEU A 36 -1.979 1.551 0.362 1.00 0.00 C ATOM 588 CG LEU A 36 -2.690 0.650 1.397 1.00 0.00 C ATOM 589 CD1 LEU A 36 -1.704 0.252 2.496 1.00 0.00 C ATOM 590 CD2 LEU A 36 -3.876 1.402 2.024 1.00 0.00 C ATOM 0 H LEU A 36 -1.221 -0.041 -1.562 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.755 1.376 -0.857 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.931 1.266 0.275 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.000 2.589 0.693 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.058 -0.244 0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.208 -0.383 3.224 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.869 -0.293 2.056 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.331 1.148 2.992 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.371 0.759 2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.514 2.302 2.521 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.585 1.679 1.244 1.00 0.00 H new ATOM 602 N PRO A 37 -3.272 3.478 -2.189 1.00 0.00 N ATOM 603 CA PRO A 37 -3.011 4.697 -3.009 1.00 0.00 C ATOM 604 C PRO A 37 -1.812 5.506 -2.502 1.00 0.00 C ATOM 605 O PRO A 37 -1.535 5.564 -1.318 1.00 0.00 O ATOM 606 CB PRO A 37 -4.309 5.513 -2.865 1.00 0.00 C ATOM 607 CG PRO A 37 -5.374 4.508 -2.578 1.00 0.00 C ATOM 608 CD PRO A 37 -4.696 3.365 -1.826 1.00 0.00 C ATOM 0 HA PRO A 37 -2.762 4.442 -4.039 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.228 6.242 -2.059 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.528 6.069 -3.777 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.172 4.948 -1.979 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.829 4.150 -3.501 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.840 3.458 -0.750 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.105 2.398 -2.120 1.00 0.00 H new ATOM 616 N ASP A 38 -1.110 6.136 -3.399 1.00 0.00 N ATOM 617 CA ASP A 38 0.070 6.951 -2.993 1.00 0.00 C ATOM 618 C ASP A 38 -0.372 7.985 -1.954 1.00 0.00 C ATOM 619 O ASP A 38 0.433 8.681 -1.362 1.00 0.00 O ATOM 620 CB ASP A 38 0.650 7.660 -4.221 1.00 0.00 C ATOM 621 CG ASP A 38 -0.422 8.530 -4.883 1.00 0.00 C ATOM 622 OD1 ASP A 38 -1.473 8.705 -4.288 1.00 0.00 O ATOM 623 OD2 ASP A 38 -0.170 9.014 -5.974 1.00 0.00 O ATOM 0 H ASP A 38 -1.302 6.123 -4.401 1.00 0.00 H new ATOM 0 HA ASP A 38 0.836 6.306 -2.562 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.499 8.277 -3.927 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.022 6.924 -4.933 1.00 0.00 H new ATOM 628 N GLN A 39 -1.650 8.075 -1.722 1.00 0.00 N ATOM 629 CA GLN A 39 -2.165 9.046 -0.715 1.00 0.00 C ATOM 630 C GLN A 39 -1.655 8.657 0.676 1.00 0.00 C ATOM 631 O GLN A 39 -1.317 9.503 1.483 1.00 0.00 O ATOM 632 CB GLN A 39 -3.693 9.007 -0.714 1.00 0.00 C ATOM 633 CG GLN A 39 -4.232 10.028 0.290 1.00 0.00 C ATOM 634 CD GLN A 39 -5.758 10.100 0.185 1.00 0.00 C ATOM 635 OE1 GLN A 39 -6.336 9.651 -0.786 1.00 0.00 O ATOM 636 NE2 GLN A 39 -6.437 10.650 1.154 1.00 0.00 N ATOM 0 H GLN A 39 -2.365 7.516 -2.188 1.00 0.00 H new ATOM 0 HA GLN A 39 -1.819 10.049 -0.966 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.073 9.227 -1.712 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.041 8.007 -0.454 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.940 9.746 1.302 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.798 11.009 0.095 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.951 11.026 1.968 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.454 10.704 1.098 1.00 0.00 H new ATOM 645 N TYR A 40 -1.604 7.381 0.960 1.00 0.00 N ATOM 646 CA TYR A 40 -1.127 6.912 2.300 1.00 0.00 C ATOM 647 C TYR A 40 0.010 5.901 2.126 1.00 0.00 C ATOM 648 O TYR A 40 -0.094 4.759 2.530 1.00 0.00 O ATOM 649 CB TYR A 40 -2.293 6.262 3.046 1.00 0.00 C ATOM 650 CG TYR A 40 -1.796 5.679 4.347 1.00 0.00 C ATOM 651 CD1 TYR A 40 -1.382 6.530 5.379 1.00 0.00 C ATOM 652 CD2 TYR A 40 -1.753 4.292 4.526 1.00 0.00 C ATOM 653 CE1 TYR A 40 -0.925 5.995 6.588 1.00 0.00 C ATOM 654 CE2 TYR A 40 -1.297 3.756 5.736 1.00 0.00 C ATOM 655 CZ TYR A 40 -0.881 4.607 6.767 1.00 0.00 C ATOM 656 OH TYR A 40 -0.430 4.076 7.957 1.00 0.00 O ATOM 0 H TYR A 40 -1.874 6.637 0.317 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.755 7.761 2.873 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.071 7.000 3.240 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.741 5.480 2.432 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.416 7.601 5.241 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -2.072 3.635 3.730 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.606 6.652 7.383 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -1.266 2.685 5.874 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.466 3.098 7.913 1.00 0.00 H new ATOM 666 N VAL A 41 1.096 6.318 1.531 1.00 0.00 N ATOM 667 CA VAL A 41 2.258 5.395 1.335 1.00 0.00 C ATOM 668 C VAL A 41 3.562 6.205 1.387 1.00 0.00 C ATOM 669 O VAL A 41 4.555 5.775 1.938 1.00 0.00 O ATOM 670 CB VAL A 41 2.157 4.701 -0.026 1.00 0.00 C ATOM 671 CG1 VAL A 41 3.407 3.848 -0.251 1.00 0.00 C ATOM 672 CG2 VAL A 41 0.922 3.799 -0.059 1.00 0.00 C ATOM 0 H VAL A 41 1.231 7.262 1.170 1.00 0.00 H new ATOM 0 HA VAL A 41 2.251 4.643 2.124 1.00 0.00 H new ATOM 0 HB VAL A 41 2.075 5.455 -0.809 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.339 3.352 -1.219 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.291 4.485 -0.231 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.482 3.098 0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.856 3.308 -1.030 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.001 3.045 0.724 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.028 4.400 0.105 1.00 0.00 H new ATOM 682 N ARG A 42 3.555 7.379 0.811 1.00 0.00 N ATOM 683 CA ARG A 42 4.782 8.239 0.816 1.00 0.00 C ATOM 684 C ARG A 42 4.923 8.930 2.175 1.00 0.00 C ATOM 685 O ARG A 42 5.937 9.525 2.491 1.00 0.00 O ATOM 686 CB ARG A 42 4.653 9.300 -0.279 1.00 0.00 C ATOM 687 CG ARG A 42 4.542 8.615 -1.642 1.00 0.00 C ATOM 688 CD ARG A 42 4.336 9.669 -2.732 1.00 0.00 C ATOM 689 NE ARG A 42 5.536 10.549 -2.814 1.00 0.00 N ATOM 690 CZ ARG A 42 6.568 10.213 -3.546 1.00 0.00 C ATOM 691 NH1 ARG A 42 6.586 9.071 -4.177 1.00 0.00 N ATOM 692 NH2 ARG A 42 7.584 11.022 -3.637 1.00 0.00 N ATOM 0 H ARG A 42 2.749 7.783 0.334 1.00 0.00 H new ATOM 0 HA ARG A 42 5.661 7.621 0.633 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.774 9.919 -0.099 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.519 9.962 -0.262 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.445 8.039 -1.845 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.709 7.912 -1.640 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.163 9.184 -3.692 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.450 10.265 -2.512 1.00 0.00 H new ATOM 0 HE ARG A 42 5.553 11.425 -2.292 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.793 8.434 -4.102 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.393 8.815 -4.746 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.573 11.912 -3.139 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.391 10.765 -4.206 1.00 0.00 H new ATOM 706 N LEU A 43 3.901 8.861 2.973 1.00 0.00 N ATOM 707 CA LEU A 43 3.945 9.518 4.311 1.00 0.00 C ATOM 708 C LEU A 43 5.095 8.945 5.145 1.00 0.00 C ATOM 709 O LEU A 43 6.249 9.296 4.980 1.00 0.00 O ATOM 710 CB LEU A 43 2.616 9.259 5.032 1.00 0.00 C ATOM 711 CG LEU A 43 1.544 10.235 4.533 1.00 0.00 C ATOM 712 CD1 LEU A 43 1.870 11.680 4.980 1.00 0.00 C ATOM 713 CD2 LEU A 43 1.469 10.160 3.001 1.00 0.00 C ATOM 0 H LEU A 43 3.030 8.376 2.759 1.00 0.00 H new ATOM 0 HA LEU A 43 4.103 10.589 4.183 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.293 8.233 4.858 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.749 9.373 6.108 1.00 0.00 H new ATOM 0 HG LEU A 43 0.581 9.957 4.962 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.097 12.357 4.616 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.908 11.724 6.068 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.835 11.978 4.571 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.708 10.852 2.640 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.436 10.429 2.576 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.210 9.145 2.699 1.00 0.00 H new ATOM 725 N GLY A 44 4.769 8.080 6.056 1.00 0.00 N ATOM 726 CA GLY A 44 5.806 7.480 6.937 1.00 0.00 C ATOM 727 C GLY A 44 6.510 6.325 6.226 1.00 0.00 C ATOM 728 O GLY A 44 6.431 6.184 5.018 1.00 0.00 O ATOM 0 H GLY A 44 3.817 7.758 6.232 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.535 8.239 7.219 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.346 7.122 7.858 1.00 0.00 H new ATOM 732 N PRO A 45 7.197 5.503 6.980 1.00 0.00 N ATOM 733 CA PRO A 45 7.931 4.328 6.430 1.00 0.00 C ATOM 734 C PRO A 45 6.994 3.426 5.627 1.00 0.00 C ATOM 735 O PRO A 45 7.414 2.498 4.963 1.00 0.00 O ATOM 736 CB PRO A 45 8.473 3.603 7.673 1.00 0.00 C ATOM 737 CG PRO A 45 8.478 4.633 8.761 1.00 0.00 C ATOM 738 CD PRO A 45 7.338 5.601 8.438 1.00 0.00 C ATOM 0 HA PRO A 45 8.726 4.616 5.742 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.844 2.754 7.938 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.475 3.214 7.495 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.330 4.169 9.736 1.00 0.00 H new ATOM 0 HG3 PRO A 45 9.434 5.156 8.798 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.417 5.319 8.949 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.577 6.618 8.749 1.00 0.00 H new ATOM 746 N LEU A 46 5.723 3.715 5.669 1.00 0.00 N ATOM 747 CA LEU A 46 4.744 2.897 4.899 1.00 0.00 C ATOM 748 C LEU A 46 5.195 2.852 3.436 1.00 0.00 C ATOM 749 O LEU A 46 4.658 2.127 2.620 1.00 0.00 O ATOM 750 CB LEU A 46 3.361 3.557 4.993 1.00 0.00 C ATOM 751 CG LEU A 46 2.665 3.153 6.303 1.00 0.00 C ATOM 752 CD1 LEU A 46 2.256 1.668 6.267 1.00 0.00 C ATOM 753 CD2 LEU A 46 3.610 3.402 7.489 1.00 0.00 C ATOM 0 H LEU A 46 5.319 4.484 6.204 1.00 0.00 H new ATOM 0 HA LEU A 46 4.690 1.885 5.301 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.464 4.641 4.947 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.750 3.259 4.141 1.00 0.00 H new ATOM 0 HG LEU A 46 1.765 3.757 6.419 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.765 1.403 7.204 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.569 1.500 5.437 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.144 1.049 6.135 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.114 3.115 8.416 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.516 2.809 7.363 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.872 4.459 7.530 1.00 0.00 H new ATOM 765 N SER A 47 6.179 3.637 3.111 1.00 0.00 N ATOM 766 CA SER A 47 6.687 3.678 1.717 1.00 0.00 C ATOM 767 C SER A 47 7.436 2.390 1.362 1.00 0.00 C ATOM 768 O SER A 47 8.387 1.996 2.014 1.00 0.00 O ATOM 769 CB SER A 47 7.623 4.870 1.573 1.00 0.00 C ATOM 770 OG SER A 47 7.038 6.003 2.200 1.00 0.00 O ATOM 0 H SER A 47 6.659 4.260 3.761 1.00 0.00 H new ATOM 0 HA SER A 47 5.841 3.773 1.036 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.588 4.646 2.027 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.807 5.078 0.519 1.00 0.00 H new ATOM 0 HG SER A 47 6.072 6.004 2.037 1.00 0.00 H new ATOM 776 N ASN A 48 7.010 1.753 0.307 1.00 0.00 N ATOM 777 CA ASN A 48 7.670 0.501 -0.160 1.00 0.00 C ATOM 778 C ASN A 48 7.728 -0.538 0.962 1.00 0.00 C ATOM 779 O ASN A 48 8.682 -1.288 1.078 1.00 0.00 O ATOM 780 CB ASN A 48 9.083 0.827 -0.653 1.00 0.00 C ATOM 781 CG ASN A 48 9.704 -0.410 -1.309 1.00 0.00 C ATOM 782 OD1 ASN A 48 8.943 -1.422 -1.627 1.00 0.00 O flip ATOM 783 ND2 ASN A 48 10.899 -0.456 -1.538 1.00 0.00 N flip ATOM 0 H ASN A 48 6.218 2.053 -0.262 1.00 0.00 H new ATOM 0 HA ASN A 48 7.086 0.079 -0.978 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.048 1.649 -1.368 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.702 1.156 0.182 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.496 0.333 -1.291 1.00 0.00 H new ATOM 0 HD22 ASN A 48 11.303 -1.283 -1.977 1.00 0.00 H new ATOM 790 N LYS A 49 6.716 -0.601 1.782 1.00 0.00 N ATOM 791 CA LYS A 49 6.709 -1.605 2.892 1.00 0.00 C ATOM 792 C LYS A 49 5.970 -2.864 2.448 1.00 0.00 C ATOM 793 O LYS A 49 4.966 -2.812 1.761 1.00 0.00 O ATOM 794 CB LYS A 49 6.026 -1.001 4.136 1.00 0.00 C ATOM 795 CG LYS A 49 7.064 -0.316 5.038 1.00 0.00 C ATOM 796 CD LYS A 49 7.748 -1.366 5.928 1.00 0.00 C ATOM 797 CE LYS A 49 8.759 -0.683 6.843 1.00 0.00 C ATOM 798 NZ LYS A 49 9.477 -1.717 7.638 1.00 0.00 N ATOM 0 H LYS A 49 5.892 -0.002 1.735 1.00 0.00 H new ATOM 0 HA LYS A 49 7.736 -1.869 3.144 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.269 -0.279 3.829 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.512 -1.784 4.693 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.807 0.198 4.429 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.580 0.440 5.657 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.003 -1.894 6.523 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.248 -2.111 5.309 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.469 -0.104 6.252 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.252 0.016 7.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.168 -1.256 8.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.793 -2.251 8.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.972 -2.367 6.995 1.00 0.00 H new ATOM 812 N ILE A 50 6.470 -3.999 2.846 1.00 0.00 N ATOM 813 CA ILE A 50 5.823 -5.284 2.474 1.00 0.00 C ATOM 814 C ILE A 50 4.888 -5.711 3.598 1.00 0.00 C ATOM 815 O ILE A 50 5.318 -6.099 4.667 1.00 0.00 O ATOM 816 CB ILE A 50 6.905 -6.344 2.248 1.00 0.00 C ATOM 817 CG1 ILE A 50 7.883 -5.866 1.140 1.00 0.00 C ATOM 818 CG2 ILE A 50 6.235 -7.654 1.821 1.00 0.00 C ATOM 819 CD1 ILE A 50 9.093 -5.157 1.761 1.00 0.00 C ATOM 0 H ILE A 50 7.309 -4.091 3.419 1.00 0.00 H new ATOM 0 HA ILE A 50 5.247 -5.166 1.556 1.00 0.00 H new ATOM 0 HB ILE A 50 7.466 -6.502 3.169 1.00 0.00 H new ATOM 0 HG12 ILE A 50 8.217 -6.719 0.549 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.367 -5.189 0.459 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.997 -8.416 1.657 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.553 -7.986 2.604 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.678 -7.494 0.898 1.00 0.00 H new ATOM 0 HD11 ILE A 50 9.768 -4.829 0.970 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.755 -4.292 2.331 1.00 0.00 H new ATOM 0 HD13 ILE A 50 9.618 -5.846 2.423 1.00 0.00 H new ATOM 831 N LEU A 51 3.606 -5.617 3.362 1.00 0.00 N ATOM 832 CA LEU A 51 2.602 -5.988 4.407 1.00 0.00 C ATOM 833 C LEU A 51 1.801 -7.212 3.967 1.00 0.00 C ATOM 834 O LEU A 51 1.589 -7.452 2.789 1.00 0.00 O ATOM 835 CB LEU A 51 1.659 -4.805 4.631 1.00 0.00 C ATOM 836 CG LEU A 51 2.480 -3.550 4.953 1.00 0.00 C ATOM 837 CD1 LEU A 51 1.535 -2.368 5.178 1.00 0.00 C ATOM 838 CD2 LEU A 51 3.322 -3.787 6.216 1.00 0.00 C ATOM 0 H LEU A 51 3.206 -5.296 2.481 1.00 0.00 H new ATOM 0 HA LEU A 51 3.121 -6.231 5.334 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.052 -4.637 3.742 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.973 -5.023 5.449 1.00 0.00 H new ATOM 0 HG LEU A 51 3.145 -3.330 4.118 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.117 -1.475 5.407 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.946 -2.196 4.277 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.867 -2.589 6.011 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.903 -2.892 6.439 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.664 -4.011 7.055 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.998 -4.626 6.051 1.00 0.00 H new ATOM 850 N GLN A 52 1.360 -7.989 4.921 1.00 0.00 N ATOM 851 CA GLN A 52 0.572 -9.208 4.598 1.00 0.00 C ATOM 852 C GLN A 52 -0.866 -8.807 4.267 1.00 0.00 C ATOM 853 O GLN A 52 -1.652 -8.467 5.132 1.00 0.00 O ATOM 854 CB GLN A 52 0.588 -10.152 5.800 1.00 0.00 C ATOM 855 CG GLN A 52 -0.158 -11.440 5.444 1.00 0.00 C ATOM 856 CD GLN A 52 0.010 -12.465 6.569 1.00 0.00 C ATOM 857 OE1 GLN A 52 -0.811 -13.478 6.635 1.00 0.00 O flip ATOM 858 NE2 GLN A 52 0.894 -12.344 7.395 1.00 0.00 N flip ATOM 0 H GLN A 52 1.515 -7.828 5.916 1.00 0.00 H new ATOM 0 HA GLN A 52 1.009 -9.715 3.738 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.615 -10.380 6.084 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.119 -9.673 6.659 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.216 -11.227 5.288 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.226 -11.847 4.509 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.535 -11.553 7.343 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.994 -13.034 8.140 1.00 0.00 H new ATOM 867 N THR A 53 -1.207 -8.847 3.015 1.00 0.00 N ATOM 868 CA THR A 53 -2.583 -8.472 2.593 1.00 0.00 C ATOM 869 C THR A 53 -3.533 -9.653 2.808 1.00 0.00 C ATOM 870 O THR A 53 -3.285 -10.753 2.351 1.00 0.00 O ATOM 871 CB THR A 53 -2.550 -8.098 1.109 1.00 0.00 C ATOM 872 OG1 THR A 53 -1.861 -6.869 0.951 1.00 0.00 O ATOM 873 CG2 THR A 53 -3.975 -7.954 0.570 1.00 0.00 C ATOM 0 H THR A 53 -0.586 -9.126 2.256 1.00 0.00 H new ATOM 0 HA THR A 53 -2.937 -7.627 3.184 1.00 0.00 H new ATOM 0 HB THR A 53 -2.038 -8.884 0.554 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.906 -7.044 0.818 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.939 -7.688 -0.486 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.506 -8.899 0.688 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.496 -7.173 1.124 1.00 0.00 H new ATOM 881 N ASN A 54 -4.620 -9.424 3.495 1.00 0.00 N ATOM 882 CA ASN A 54 -5.612 -10.513 3.748 1.00 0.00 C ATOM 883 C ASN A 54 -6.919 -10.171 3.041 1.00 0.00 C ATOM 884 O ASN A 54 -7.633 -9.259 3.426 1.00 0.00 O ATOM 885 CB ASN A 54 -5.861 -10.642 5.250 1.00 0.00 C ATOM 886 CG ASN A 54 -4.576 -11.103 5.939 1.00 0.00 C ATOM 887 OD1 ASN A 54 -3.491 -10.688 5.575 1.00 0.00 O ATOM 888 ND2 ASN A 54 -4.652 -11.959 6.920 1.00 0.00 N ATOM 0 H ASN A 54 -4.867 -8.519 3.897 1.00 0.00 H new ATOM 0 HA ASN A 54 -5.224 -11.458 3.367 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.184 -9.685 5.660 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.663 -11.356 5.437 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.802 -12.281 7.383 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -5.561 -12.306 7.225 1.00 0.00 H new ATOM 895 N THR A 55 -7.229 -10.899 2.006 1.00 0.00 N ATOM 896 CA THR A 55 -8.486 -10.642 1.243 1.00 0.00 C ATOM 897 C THR A 55 -9.552 -11.647 1.672 1.00 0.00 C ATOM 898 O THR A 55 -9.311 -12.840 1.720 1.00 0.00 O ATOM 899 CB THR A 55 -8.212 -10.798 -0.252 1.00 0.00 C ATOM 900 OG1 THR A 55 -7.329 -9.771 -0.672 1.00 0.00 O ATOM 901 CG2 THR A 55 -9.525 -10.699 -1.033 1.00 0.00 C ATOM 0 H THR A 55 -6.661 -11.669 1.651 1.00 0.00 H new ATOM 0 HA THR A 55 -8.837 -9.630 1.445 1.00 0.00 H new ATOM 0 HB THR A 55 -7.759 -11.772 -0.440 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.601 -8.920 -0.268 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.324 -10.811 -2.098 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.203 -11.488 -0.707 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.985 -9.728 -0.851 1.00 0.00 H new ATOM 909 N TYR A 56 -10.727 -11.176 1.989 1.00 0.00 N ATOM 910 CA TYR A 56 -11.822 -12.095 2.425 1.00 0.00 C ATOM 911 C TYR A 56 -12.820 -12.280 1.290 1.00 0.00 C ATOM 912 O TYR A 56 -13.258 -11.331 0.667 1.00 0.00 O ATOM 913 CB TYR A 56 -12.535 -11.495 3.631 1.00 0.00 C ATOM 914 CG TYR A 56 -11.603 -11.513 4.821 1.00 0.00 C ATOM 915 CD1 TYR A 56 -10.499 -10.651 4.855 1.00 0.00 C ATOM 916 CD2 TYR A 56 -11.840 -12.389 5.888 1.00 0.00 C ATOM 917 CE1 TYR A 56 -9.633 -10.666 5.956 1.00 0.00 C ATOM 918 CE2 TYR A 56 -10.974 -12.404 6.988 1.00 0.00 C ATOM 919 CZ TYR A 56 -9.871 -11.543 7.022 1.00 0.00 C ATOM 920 OH TYR A 56 -9.017 -11.557 8.105 1.00 0.00 O ATOM 0 H TYR A 56 -10.979 -10.188 1.965 1.00 0.00 H new ATOM 0 HA TYR A 56 -11.396 -13.062 2.693 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -12.846 -10.473 3.413 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -13.439 -12.063 3.853 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -10.316 -9.975 4.033 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -12.691 -13.053 5.862 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -8.782 -10.002 5.983 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -11.157 -13.080 7.810 1.00 0.00 H new ATOM 0 HH TYR A 56 -9.325 -12.221 8.756 1.00 0.00 H new ATOM 930 N TYR A 57 -13.179 -13.503 1.017 1.00 0.00 N ATOM 931 CA TYR A 57 -14.151 -13.780 -0.078 1.00 0.00 C ATOM 932 C TYR A 57 -15.082 -14.911 0.354 1.00 0.00 C ATOM 933 O TYR A 57 -14.648 -15.963 0.795 1.00 0.00 O ATOM 934 CB TYR A 57 -13.403 -14.184 -1.352 1.00 0.00 C ATOM 935 CG TYR A 57 -12.664 -15.486 -1.127 1.00 0.00 C ATOM 936 CD1 TYR A 57 -11.356 -15.478 -0.619 1.00 0.00 C ATOM 937 CD2 TYR A 57 -13.281 -16.700 -1.448 1.00 0.00 C ATOM 938 CE1 TYR A 57 -10.679 -16.685 -0.420 1.00 0.00 C ATOM 939 CE2 TYR A 57 -12.601 -17.908 -1.246 1.00 0.00 C ATOM 940 CZ TYR A 57 -11.297 -17.899 -0.740 1.00 0.00 C ATOM 941 OH TYR A 57 -10.623 -19.088 -0.548 1.00 0.00 O ATOM 0 H TYR A 57 -12.838 -14.329 1.509 1.00 0.00 H new ATOM 0 HA TYR A 57 -14.734 -12.882 -0.282 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -14.106 -14.293 -2.177 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -12.699 -13.401 -1.634 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -10.873 -14.541 -0.382 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -14.283 -16.706 -1.852 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -9.677 -16.680 -0.018 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -13.083 -18.845 -1.481 1.00 0.00 H new ATOM 0 HH TYR A 57 -11.083 -19.806 -1.031 1.00 0.00 H new ATOM 951 N SER A 58 -16.362 -14.692 0.243 1.00 0.00 N ATOM 952 CA SER A 58 -17.356 -15.734 0.641 1.00 0.00 C ATOM 953 C SER A 58 -18.477 -15.796 -0.397 1.00 0.00 C ATOM 954 O SER A 58 -18.484 -15.066 -1.369 1.00 0.00 O ATOM 955 CB SER A 58 -17.947 -15.387 2.005 1.00 0.00 C ATOM 956 OG SER A 58 -18.909 -16.371 2.359 1.00 0.00 O ATOM 0 H SER A 58 -16.769 -13.826 -0.110 1.00 0.00 H new ATOM 0 HA SER A 58 -16.858 -16.702 0.698 1.00 0.00 H new ATOM 0 HB2 SER A 58 -17.159 -15.344 2.757 1.00 0.00 H new ATOM 0 HB3 SER A 58 -18.411 -14.401 1.974 1.00 0.00 H new ATOM 0 HG SER A 58 -19.800 -15.964 2.381 1.00 0.00 H new ATOM 962 N ASP A 59 -19.428 -16.659 -0.184 1.00 0.00 N ATOM 963 CA ASP A 59 -20.569 -16.778 -1.137 1.00 0.00 C ATOM 964 C ASP A 59 -21.354 -15.459 -1.189 1.00 0.00 C ATOM 965 O ASP A 59 -21.591 -14.891 -2.242 1.00 0.00 O ATOM 966 CB ASP A 59 -21.503 -17.885 -0.637 1.00 0.00 C ATOM 967 CG ASP A 59 -22.756 -17.947 -1.517 1.00 0.00 C ATOM 968 OD1 ASP A 59 -22.749 -17.321 -2.563 1.00 0.00 O ATOM 969 OD2 ASP A 59 -23.698 -18.618 -1.126 1.00 0.00 O ATOM 0 H ASP A 59 -19.466 -17.293 0.614 1.00 0.00 H new ATOM 0 HA ASP A 59 -20.189 -17.009 -2.132 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -20.987 -18.845 -0.656 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -21.784 -17.695 0.399 1.00 0.00 H new ATOM 974 N THR A 60 -21.765 -14.985 -0.050 1.00 0.00 N ATOM 975 CA THR A 60 -22.554 -13.718 0.008 1.00 0.00 C ATOM 976 C THR A 60 -21.701 -12.531 -0.462 1.00 0.00 C ATOM 977 O THR A 60 -22.163 -11.661 -1.177 1.00 0.00 O ATOM 978 CB THR A 60 -23.002 -13.491 1.451 1.00 0.00 C ATOM 979 OG1 THR A 60 -21.871 -13.579 2.310 1.00 0.00 O ATOM 980 CG2 THR A 60 -24.027 -14.557 1.841 1.00 0.00 C ATOM 0 H THR A 60 -21.589 -15.422 0.854 1.00 0.00 H new ATOM 0 HA THR A 60 -23.420 -13.798 -0.649 1.00 0.00 H new ATOM 0 HB THR A 60 -23.456 -12.505 1.544 1.00 0.00 H new ATOM 0 HG1 THR A 60 -22.152 -13.432 3.237 1.00 0.00 H new ATOM 0 HG21 THR A 60 -24.347 -14.395 2.870 1.00 0.00 H new ATOM 0 HG22 THR A 60 -24.890 -14.491 1.179 1.00 0.00 H new ATOM 0 HG23 THR A 60 -23.576 -15.545 1.752 1.00 0.00 H new ATOM 988 N LEU A 61 -20.466 -12.486 -0.057 1.00 0.00 N ATOM 989 CA LEU A 61 -19.577 -11.357 -0.468 1.00 0.00 C ATOM 990 C LEU A 61 -19.354 -11.393 -1.982 1.00 0.00 C ATOM 991 O LEU A 61 -19.300 -10.373 -2.643 1.00 0.00 O ATOM 992 CB LEU A 61 -18.232 -11.483 0.247 1.00 0.00 C ATOM 993 CG LEU A 61 -18.426 -11.272 1.756 1.00 0.00 C ATOM 994 CD1 LEU A 61 -17.117 -11.592 2.491 1.00 0.00 C ATOM 995 CD2 LEU A 61 -18.848 -9.816 2.050 1.00 0.00 C ATOM 0 H LEU A 61 -20.027 -13.184 0.544 1.00 0.00 H new ATOM 0 HA LEU A 61 -20.049 -10.413 -0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -17.801 -12.466 0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -17.530 -10.747 -0.146 1.00 0.00 H new ATOM 0 HG LEU A 61 -19.214 -11.939 2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -17.255 -11.442 3.562 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -16.838 -12.629 2.303 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -16.327 -10.933 2.131 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -18.981 -9.685 3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -18.075 -9.134 1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -19.786 -9.599 1.539 1.00 0.00 H new ATOM 1007 N HIS A 62 -19.216 -12.564 -2.533 1.00 0.00 N ATOM 1008 CA HIS A 62 -18.984 -12.671 -4.001 1.00 0.00 C ATOM 1009 C HIS A 62 -20.141 -12.008 -4.757 1.00 0.00 C ATOM 1010 O HIS A 62 -19.941 -11.228 -5.668 1.00 0.00 O ATOM 1011 CB HIS A 62 -18.917 -14.143 -4.398 1.00 0.00 C ATOM 1012 CG HIS A 62 -18.655 -14.237 -5.873 1.00 0.00 C ATOM 1013 ND1 HIS A 62 -17.431 -13.897 -6.422 1.00 0.00 N ATOM 1014 CD2 HIS A 62 -19.452 -14.604 -6.929 1.00 0.00 C ATOM 1015 CE1 HIS A 62 -17.524 -14.062 -7.753 1.00 0.00 C ATOM 1016 NE2 HIS A 62 -18.734 -14.491 -8.117 1.00 0.00 N ATOM 0 H HIS A 62 -19.253 -13.452 -2.032 1.00 0.00 H new ATOM 0 HA HIS A 62 -18.047 -12.173 -4.252 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -18.127 -14.648 -3.842 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -19.853 -14.644 -4.149 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -20.479 -14.930 -6.850 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -16.717 -13.870 -8.444 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -19.062 -14.693 -9.061 1.00 0.00 H new ATOM 1024 N LYS A 63 -21.347 -12.323 -4.388 1.00 0.00 N ATOM 1025 CA LYS A 63 -22.530 -11.721 -5.081 1.00 0.00 C ATOM 1026 C LYS A 63 -22.579 -10.210 -4.821 1.00 0.00 C ATOM 1027 O LYS A 63 -22.896 -9.424 -5.695 1.00 0.00 O ATOM 1028 CB LYS A 63 -23.818 -12.381 -4.563 1.00 0.00 C ATOM 1029 CG LYS A 63 -24.120 -13.669 -5.342 1.00 0.00 C ATOM 1030 CD LYS A 63 -23.133 -14.763 -4.933 1.00 0.00 C ATOM 1031 CE LYS A 63 -23.428 -16.035 -5.725 1.00 0.00 C ATOM 1032 NZ LYS A 63 -22.465 -17.101 -5.328 1.00 0.00 N ATOM 0 H LYS A 63 -21.572 -12.973 -3.635 1.00 0.00 H new ATOM 0 HA LYS A 63 -22.442 -11.891 -6.154 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -23.715 -12.608 -3.502 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -24.653 -11.687 -4.661 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -25.141 -13.994 -5.143 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -24.048 -13.483 -6.414 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -22.111 -14.434 -5.120 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -23.214 -14.960 -3.864 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -24.450 -16.365 -5.537 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -23.348 -15.838 -6.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -22.632 -17.951 -5.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -21.493 -16.765 -5.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -22.597 -17.331 -4.322 1.00 0.00 H new ATOM 1046 N SER A 64 -22.273 -9.798 -3.630 1.00 0.00 N ATOM 1047 CA SER A 64 -22.312 -8.342 -3.320 1.00 0.00 C ATOM 1048 C SER A 64 -21.133 -7.656 -4.015 1.00 0.00 C ATOM 1049 O SER A 64 -21.045 -6.442 -4.073 1.00 0.00 O ATOM 1050 CB SER A 64 -22.212 -8.150 -1.806 1.00 0.00 C ATOM 1051 OG SER A 64 -23.107 -9.050 -1.160 1.00 0.00 O ATOM 0 H SER A 64 -21.997 -10.402 -2.856 1.00 0.00 H new ATOM 0 HA SER A 64 -23.245 -7.904 -3.675 1.00 0.00 H new ATOM 0 HB2 SER A 64 -21.191 -8.331 -1.471 1.00 0.00 H new ATOM 0 HB3 SER A 64 -22.457 -7.122 -1.541 1.00 0.00 H new ATOM 0 HG SER A 64 -22.695 -9.938 -1.105 1.00 0.00 H new ATOM 1057 N ASN A 65 -20.236 -8.440 -4.549 1.00 0.00 N ATOM 1058 CA ASN A 65 -19.045 -7.877 -5.257 1.00 0.00 C ATOM 1059 C ASN A 65 -18.220 -7.015 -4.297 1.00 0.00 C ATOM 1060 O ASN A 65 -17.632 -6.021 -4.684 1.00 0.00 O ATOM 1061 CB ASN A 65 -19.500 -7.045 -6.462 1.00 0.00 C ATOM 1062 CG ASN A 65 -20.434 -7.889 -7.333 1.00 0.00 C ATOM 1063 OD1 ASN A 65 -20.201 -9.169 -7.469 1.00 0.00 O flip ATOM 1064 ND2 ASN A 65 -21.384 -7.383 -7.896 1.00 0.00 N flip ATOM 0 H ASN A 65 -20.276 -9.459 -4.526 1.00 0.00 H new ATOM 0 HA ASN A 65 -18.421 -8.698 -5.611 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -20.013 -6.145 -6.124 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -18.636 -6.721 -7.042 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -21.567 -6.385 -7.791 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -21.999 -7.956 -8.474 1.00 0.00 H new ATOM 1071 N ILE A 66 -18.161 -7.406 -3.052 1.00 0.00 N ATOM 1072 CA ILE A 66 -17.360 -6.647 -2.039 1.00 0.00 C ATOM 1073 C ILE A 66 -16.317 -7.575 -1.419 1.00 0.00 C ATOM 1074 O ILE A 66 -16.622 -8.673 -0.994 1.00 0.00 O ATOM 1075 CB ILE A 66 -18.280 -6.108 -0.942 1.00 0.00 C ATOM 1076 CG1 ILE A 66 -19.228 -5.069 -1.547 1.00 0.00 C ATOM 1077 CG2 ILE A 66 -17.432 -5.459 0.157 1.00 0.00 C ATOM 1078 CD1 ILE A 66 -20.305 -4.697 -0.529 1.00 0.00 C ATOM 0 H ILE A 66 -18.639 -8.229 -2.686 1.00 0.00 H new ATOM 0 HA ILE A 66 -16.862 -5.810 -2.529 1.00 0.00 H new ATOM 0 HB ILE A 66 -18.862 -6.923 -0.513 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -18.669 -4.180 -1.840 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -19.690 -5.467 -2.450 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -18.085 -5.074 0.940 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.756 -6.201 0.581 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -16.852 -4.640 -0.267 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -20.977 -3.957 -0.964 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -20.872 -5.587 -0.258 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -19.835 -4.280 0.362 1.00 0.00 H new ATOM 1090 N TYR A 67 -15.087 -7.134 -1.367 1.00 0.00 N ATOM 1091 CA TYR A 67 -13.994 -7.967 -0.775 1.00 0.00 C ATOM 1092 C TYR A 67 -13.314 -7.192 0.368 1.00 0.00 C ATOM 1093 O TYR A 67 -12.491 -6.328 0.122 1.00 0.00 O ATOM 1094 CB TYR A 67 -12.949 -8.268 -1.849 1.00 0.00 C ATOM 1095 CG TYR A 67 -13.621 -8.882 -3.054 1.00 0.00 C ATOM 1096 CD1 TYR A 67 -13.830 -10.266 -3.111 1.00 0.00 C ATOM 1097 CD2 TYR A 67 -14.033 -8.066 -4.112 1.00 0.00 C ATOM 1098 CE1 TYR A 67 -14.445 -10.834 -4.235 1.00 0.00 C ATOM 1099 CE2 TYR A 67 -14.650 -8.634 -5.233 1.00 0.00 C ATOM 1100 CZ TYR A 67 -14.859 -10.018 -5.293 1.00 0.00 C ATOM 1101 OH TYR A 67 -15.464 -10.577 -6.400 1.00 0.00 O ATOM 0 H TYR A 67 -14.789 -6.222 -1.713 1.00 0.00 H new ATOM 0 HA TYR A 67 -14.419 -8.895 -0.392 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -12.433 -7.351 -2.136 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -12.194 -8.949 -1.455 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -13.518 -10.894 -2.290 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -13.875 -6.999 -4.064 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -14.599 -11.902 -4.284 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.965 -8.005 -6.052 1.00 0.00 H new ATOM 0 HH TYR A 67 -15.690 -9.871 -7.041 1.00 0.00 H new ATOM 1111 N PRO A 68 -13.647 -7.480 1.608 1.00 0.00 N ATOM 1112 CA PRO A 68 -13.021 -6.799 2.778 1.00 0.00 C ATOM 1113 C PRO A 68 -11.496 -6.875 2.726 1.00 0.00 C ATOM 1114 O PRO A 68 -10.930 -7.883 2.338 1.00 0.00 O ATOM 1115 CB PRO A 68 -13.569 -7.564 3.994 1.00 0.00 C ATOM 1116 CG PRO A 68 -14.843 -8.184 3.518 1.00 0.00 C ATOM 1117 CD PRO A 68 -14.649 -8.468 2.027 1.00 0.00 C ATOM 0 HA PRO A 68 -13.256 -5.735 2.807 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.864 -8.322 4.334 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -13.746 -6.894 4.835 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -15.057 -9.103 4.065 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.687 -7.513 3.680 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -14.302 -9.487 1.856 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -15.581 -8.352 1.473 1.00 0.00 H new ATOM 1125 N PHE A 69 -10.829 -5.812 3.097 1.00 0.00 N ATOM 1126 CA PHE A 69 -9.331 -5.797 3.051 1.00 0.00 C ATOM 1127 C PHE A 69 -8.762 -5.447 4.426 1.00 0.00 C ATOM 1128 O PHE A 69 -9.081 -4.424 5.005 1.00 0.00 O ATOM 1129 CB PHE A 69 -8.884 -4.741 2.011 1.00 0.00 C ATOM 1130 CG PHE A 69 -8.017 -5.382 0.955 1.00 0.00 C ATOM 1131 CD1 PHE A 69 -8.561 -6.356 0.113 1.00 0.00 C ATOM 1132 CD2 PHE A 69 -6.676 -5.004 0.819 1.00 0.00 C ATOM 1133 CE1 PHE A 69 -7.761 -6.962 -0.862 1.00 0.00 C ATOM 1134 CE2 PHE A 69 -5.877 -5.607 -0.156 1.00 0.00 C ATOM 1135 CZ PHE A 69 -6.420 -6.583 -1.000 1.00 0.00 C ATOM 0 H PHE A 69 -11.257 -4.949 3.432 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.961 -6.782 2.768 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -9.758 -4.285 1.546 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.334 -3.942 2.507 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.598 -6.641 0.215 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.259 -4.247 1.467 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.177 -7.721 -1.507 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -4.841 -5.320 -0.258 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.804 -7.044 -1.758 1.00 0.00 H new ATOM 1145 N ILE A 70 -7.903 -6.286 4.938 1.00 0.00 N ATOM 1146 CA ILE A 70 -7.274 -6.012 6.261 1.00 0.00 C ATOM 1147 C ILE A 70 -5.776 -6.284 6.147 1.00 0.00 C ATOM 1148 O ILE A 70 -5.360 -7.333 5.692 1.00 0.00 O ATOM 1149 CB ILE A 70 -7.871 -6.921 7.329 1.00 0.00 C ATOM 1150 CG1 ILE A 70 -9.388 -6.706 7.394 1.00 0.00 C ATOM 1151 CG2 ILE A 70 -7.252 -6.570 8.687 1.00 0.00 C ATOM 1152 CD1 ILE A 70 -10.028 -7.691 8.388 1.00 0.00 C ATOM 0 H ILE A 70 -7.608 -7.155 4.493 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.455 -4.975 6.544 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.662 -7.962 7.084 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -9.604 -5.682 7.698 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.824 -6.844 6.404 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.674 -7.216 9.457 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.173 -6.715 8.643 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.469 -5.529 8.928 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -11.105 -7.525 8.422 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.828 -8.713 8.067 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.605 -7.533 9.380 1.00 0.00 H new ATOM 1164 N LEU A 71 -4.964 -5.346 6.544 1.00 0.00 N ATOM 1165 CA LEU A 71 -3.484 -5.532 6.451 1.00 0.00 C ATOM 1166 C LEU A 71 -2.909 -5.846 7.827 1.00 0.00 C ATOM 1167 O LEU A 71 -3.308 -5.279 8.827 1.00 0.00 O ATOM 1168 CB LEU A 71 -2.855 -4.245 5.921 1.00 0.00 C ATOM 1169 CG LEU A 71 -3.536 -3.840 4.613 1.00 0.00 C ATOM 1170 CD1 LEU A 71 -2.870 -2.578 4.062 1.00 0.00 C ATOM 1171 CD2 LEU A 71 -3.420 -4.976 3.588 1.00 0.00 C ATOM 0 H LEU A 71 -5.261 -4.451 6.932 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.265 -6.361 5.778 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.958 -3.448 6.658 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.787 -4.391 5.756 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.591 -3.641 4.804 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.355 -2.288 3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.966 -1.770 4.787 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.814 -2.775 3.876 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.908 -4.679 2.659 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.368 -5.186 3.395 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.902 -5.871 3.981 1.00 0.00 H new ATOM 1183 N TYR A 72 -1.969 -6.753 7.873 1.00 0.00 N ATOM 1184 CA TYR A 72 -1.336 -7.146 9.166 1.00 0.00 C ATOM 1185 C TYR A 72 0.171 -6.923 9.104 1.00 0.00 C ATOM 1186 O TYR A 72 0.812 -7.140 8.085 1.00 0.00 O ATOM 1187 CB TYR A 72 -1.604 -8.624 9.441 1.00 0.00 C ATOM 1188 CG TYR A 72 -3.078 -8.840 9.673 1.00 0.00 C ATOM 1189 CD1 TYR A 72 -3.932 -9.085 8.592 1.00 0.00 C ATOM 1190 CD2 TYR A 72 -3.588 -8.803 10.976 1.00 0.00 C ATOM 1191 CE1 TYR A 72 -5.299 -9.289 8.814 1.00 0.00 C ATOM 1192 CE2 TYR A 72 -4.954 -9.007 11.198 1.00 0.00 C ATOM 1193 CZ TYR A 72 -5.809 -9.251 10.119 1.00 0.00 C ATOM 1194 OH TYR A 72 -7.156 -9.453 10.338 1.00 0.00 O ATOM 0 H TYR A 72 -1.608 -7.246 7.056 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.762 -6.535 9.962 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.267 -9.227 8.598 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -1.037 -8.950 10.313 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.537 -9.117 7.587 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -2.927 -8.617 11.810 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -5.960 -9.475 7.981 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.348 -8.976 12.203 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.344 -9.395 11.298 1.00 0.00 H new ATOM 1204 N TYR A 73 0.735 -6.497 10.199 1.00 0.00 N ATOM 1205 CA TYR A 73 2.202 -6.257 10.264 1.00 0.00 C ATOM 1206 C TYR A 73 2.723 -6.745 11.616 1.00 0.00 C ATOM 1207 O TYR A 73 2.308 -6.278 12.660 1.00 0.00 O ATOM 1208 CB TYR A 73 2.493 -4.767 10.103 1.00 0.00 C ATOM 1209 CG TYR A 73 3.985 -4.545 10.170 1.00 0.00 C ATOM 1210 CD1 TYR A 73 4.800 -4.947 9.102 1.00 0.00 C ATOM 1211 CD2 TYR A 73 4.558 -3.942 11.295 1.00 0.00 C ATOM 1212 CE1 TYR A 73 6.184 -4.748 9.163 1.00 0.00 C ATOM 1213 CE2 TYR A 73 5.942 -3.744 11.356 1.00 0.00 C ATOM 1214 CZ TYR A 73 6.755 -4.145 10.288 1.00 0.00 C ATOM 1215 OH TYR A 73 8.120 -3.955 10.352 1.00 0.00 O ATOM 0 H TYR A 73 0.233 -6.302 11.065 1.00 0.00 H new ATOM 0 HA TYR A 73 2.699 -6.799 9.460 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.102 -4.408 9.151 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.993 -4.199 10.888 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.359 -5.411 8.232 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.932 -3.629 12.117 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.811 -5.060 8.341 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.383 -3.282 12.227 1.00 0.00 H new ATOM 0 HH TYR A 73 8.329 -3.328 11.075 1.00 0.00 H new ATOM 1225 N GLN A 74 3.617 -7.692 11.587 1.00 0.00 N ATOM 1226 CA GLN A 74 4.187 -8.256 12.847 1.00 0.00 C ATOM 1227 C GLN A 74 3.062 -8.804 13.731 1.00 0.00 C ATOM 1228 O GLN A 74 2.845 -9.998 13.807 1.00 0.00 O ATOM 1229 CB GLN A 74 4.962 -7.174 13.612 1.00 0.00 C ATOM 1230 CG GLN A 74 6.204 -6.778 12.812 1.00 0.00 C ATOM 1231 CD GLN A 74 6.951 -5.658 13.541 1.00 0.00 C ATOM 1232 OE1 GLN A 74 6.558 -5.249 14.617 1.00 0.00 O ATOM 1233 NE2 GLN A 74 8.022 -5.145 12.999 1.00 0.00 N ATOM 0 H GLN A 74 3.984 -8.107 10.731 1.00 0.00 H new ATOM 0 HA GLN A 74 4.870 -9.066 12.588 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.327 -6.303 13.775 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.252 -7.545 14.595 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.857 -7.641 12.685 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.916 -6.447 11.814 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.351 -5.488 12.097 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.530 -4.401 13.478 1.00 0.00 H new ATOM 1242 N LYS A 75 2.351 -7.942 14.403 1.00 0.00 N ATOM 1243 CA LYS A 75 1.240 -8.405 15.289 1.00 0.00 C ATOM 1244 C LYS A 75 0.077 -7.416 15.221 1.00 0.00 C ATOM 1245 O LYS A 75 -1.067 -7.774 15.417 1.00 0.00 O ATOM 1246 CB LYS A 75 1.746 -8.494 16.735 1.00 0.00 C ATOM 1247 CG LYS A 75 2.277 -7.128 17.193 1.00 0.00 C ATOM 1248 CD LYS A 75 2.706 -7.206 18.664 1.00 0.00 C ATOM 1249 CE LYS A 75 3.967 -8.069 18.804 1.00 0.00 C ATOM 1250 NZ LYS A 75 4.622 -7.786 20.111 1.00 0.00 N ATOM 0 H LYS A 75 2.490 -6.932 14.378 1.00 0.00 H new ATOM 0 HA LYS A 75 0.900 -9.386 14.956 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.939 -8.818 17.392 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.535 -9.242 16.807 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.122 -6.829 16.573 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.506 -6.367 17.069 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.898 -6.204 19.048 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.899 -7.628 19.264 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.706 -9.125 18.737 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.657 -7.859 17.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.477 -8.371 20.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.884 -6.781 20.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.963 -8.008 20.885 1.00 0.00 H new ATOM 1264 N GLN A 76 0.363 -6.165 14.963 1.00 0.00 N ATOM 1265 CA GLN A 76 -0.727 -5.140 14.911 1.00 0.00 C ATOM 1266 C GLN A 76 -1.139 -4.848 13.466 1.00 0.00 C ATOM 1267 O GLN A 76 -0.366 -4.987 12.536 1.00 0.00 O ATOM 1268 CB GLN A 76 -0.250 -3.848 15.573 1.00 0.00 C ATOM 1269 CG GLN A 76 -1.404 -2.844 15.598 1.00 0.00 C ATOM 1270 CD GLN A 76 -1.004 -1.614 16.413 1.00 0.00 C ATOM 1271 OE1 GLN A 76 -1.836 -1.139 17.299 1.00 0.00 O flip ATOM 1272 NE2 GLN A 76 0.076 -1.080 16.246 1.00 0.00 N flip ATOM 0 H GLN A 76 1.302 -5.808 14.786 1.00 0.00 H new ATOM 0 HA GLN A 76 -1.592 -5.534 15.445 1.00 0.00 H new ATOM 0 HB2 GLN A 76 0.095 -4.050 16.587 1.00 0.00 H new ATOM 0 HB3 GLN A 76 0.597 -3.435 15.025 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -1.663 -2.549 14.581 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -2.291 -3.306 16.032 1.00 0.00 H new ATOM 0 HE21 GLN A 76 0.727 -1.451 15.554 1.00 0.00 H new ATOM 0 HE22 GLN A 76 0.331 -0.261 16.798 1.00 0.00 H new ATOM 1281 N LEU A 77 -2.366 -4.446 13.290 1.00 0.00 N ATOM 1282 CA LEU A 77 -2.881 -4.134 11.930 1.00 0.00 C ATOM 1283 C LEU A 77 -2.337 -2.792 11.444 1.00 0.00 C ATOM 1284 O LEU A 77 -1.923 -1.957 12.224 1.00 0.00 O ATOM 1285 CB LEU A 77 -4.407 -4.078 11.969 1.00 0.00 C ATOM 1286 CG LEU A 77 -4.893 -3.020 13.007 1.00 0.00 C ATOM 1287 CD1 LEU A 77 -5.993 -2.155 12.388 1.00 0.00 C ATOM 1288 CD2 LEU A 77 -5.445 -3.722 14.258 1.00 0.00 C ATOM 0 H LEU A 77 -3.043 -4.319 14.042 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.553 -4.914 11.243 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.792 -3.829 10.980 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.805 -5.059 12.228 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.048 -2.392 13.289 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.329 -1.418 13.117 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.602 -1.644 11.508 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.832 -2.787 12.097 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.781 -2.974 14.976 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.284 -4.359 13.977 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.662 -4.331 14.709 1.00 0.00 H new ATOM 1300 N ILE A 78 -2.342 -2.587 10.158 1.00 0.00 N ATOM 1301 CA ILE A 78 -1.835 -1.306 9.579 1.00 0.00 C ATOM 1302 C ILE A 78 -2.999 -0.492 9.017 1.00 0.00 C ATOM 1303 O ILE A 78 -2.995 0.723 9.061 1.00 0.00 O ATOM 1304 CB ILE A 78 -0.844 -1.625 8.462 1.00 0.00 C ATOM 1305 CG1 ILE A 78 0.407 -2.293 9.051 1.00 0.00 C ATOM 1306 CG2 ILE A 78 -0.449 -0.346 7.727 1.00 0.00 C ATOM 1307 CD1 ILE A 78 1.124 -1.362 10.050 1.00 0.00 C ATOM 0 H ILE A 78 -2.680 -3.261 9.471 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.341 -0.724 10.357 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.317 -2.307 7.755 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.125 -3.219 9.552 1.00 0.00 H new ATOM 0 HG13 ILE A 78 1.091 -2.562 8.246 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.258 -0.586 6.933 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.337 0.114 7.295 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.015 0.348 8.428 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.005 -1.865 10.448 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.428 -0.447 9.541 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.447 -1.115 10.867 1.00 0.00 H new ATOM 1319 N ALA A 79 -3.992 -1.138 8.479 1.00 0.00 N ATOM 1320 CA ALA A 79 -5.131 -0.363 7.909 1.00 0.00 C ATOM 1321 C ALA A 79 -6.355 -1.257 7.725 1.00 0.00 C ATOM 1322 O ALA A 79 -6.252 -2.465 7.593 1.00 0.00 O ATOM 1323 CB ALA A 79 -4.726 0.218 6.557 1.00 0.00 C ATOM 0 H ALA A 79 -4.067 -2.153 8.408 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.383 0.441 8.601 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.559 0.785 6.140 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.868 0.877 6.687 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.462 -0.592 5.877 1.00 0.00 H new ATOM 1329 N ILE A 80 -7.510 -0.656 7.708 1.00 0.00 N ATOM 1330 CA ILE A 80 -8.779 -1.422 7.524 1.00 0.00 C ATOM 1331 C ILE A 80 -9.645 -0.727 6.481 1.00 0.00 C ATOM 1332 O ILE A 80 -9.766 0.479 6.474 1.00 0.00 O ATOM 1333 CB ILE A 80 -9.536 -1.481 8.849 1.00 0.00 C ATOM 1334 CG1 ILE A 80 -8.743 -2.331 9.842 1.00 0.00 C ATOM 1335 CG2 ILE A 80 -10.914 -2.107 8.630 1.00 0.00 C ATOM 1336 CD1 ILE A 80 -9.328 -2.190 11.251 1.00 0.00 C ATOM 0 H ILE A 80 -7.633 0.351 7.815 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.546 -2.433 7.191 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.659 -0.472 9.242 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.765 -3.377 9.535 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.698 -2.021 9.842 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.450 -2.147 9.578 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -11.479 -1.504 7.919 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.797 -3.117 8.237 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.753 -2.801 11.947 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.282 -1.146 11.561 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -10.366 -2.522 11.249 1.00 0.00 H new ATOM 1348 N GLY A 81 -10.253 -1.480 5.612 1.00 0.00 N ATOM 1349 CA GLY A 81 -11.118 -0.862 4.569 1.00 0.00 C ATOM 1350 C GLY A 81 -11.775 -1.952 3.723 1.00 0.00 C ATOM 1351 O GLY A 81 -11.291 -3.066 3.635 1.00 0.00 O ATOM 0 H GLY A 81 -10.190 -2.497 5.577 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.883 -0.244 5.039 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.523 -0.206 3.934 1.00 0.00 H new ATOM 1355 N PHE A 82 -12.884 -1.628 3.113 1.00 0.00 N ATOM 1356 CA PHE A 82 -13.619 -2.619 2.265 1.00 0.00 C ATOM 1357 C PHE A 82 -13.556 -2.181 0.809 1.00 0.00 C ATOM 1358 O PHE A 82 -13.663 -1.007 0.502 1.00 0.00 O ATOM 1359 CB PHE A 82 -15.081 -2.701 2.721 1.00 0.00 C ATOM 1360 CG PHE A 82 -15.788 -1.392 2.434 1.00 0.00 C ATOM 1361 CD1 PHE A 82 -16.396 -1.184 1.190 1.00 0.00 C ATOM 1362 CD2 PHE A 82 -15.843 -0.395 3.416 1.00 0.00 C ATOM 1363 CE1 PHE A 82 -17.058 0.021 0.927 1.00 0.00 C ATOM 1364 CE2 PHE A 82 -16.505 0.812 3.150 1.00 0.00 C ATOM 1365 CZ PHE A 82 -17.113 1.018 1.907 1.00 0.00 C ATOM 0 H PHE A 82 -13.320 -0.707 3.166 1.00 0.00 H new ATOM 0 HA PHE A 82 -13.158 -3.601 2.367 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -15.586 -3.517 2.205 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -15.126 -2.922 3.787 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -16.354 -1.953 0.433 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -15.376 -0.556 4.377 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -17.527 0.181 -0.033 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -16.546 1.583 3.905 1.00 0.00 H new ATOM 0 HZ PHE A 82 -17.625 1.947 1.704 1.00 0.00 H new ATOM 1375 N ILE A 83 -13.369 -3.110 -0.095 1.00 0.00 N ATOM 1376 CA ILE A 83 -13.285 -2.746 -1.540 1.00 0.00 C ATOM 1377 C ILE A 83 -14.629 -3.005 -2.223 1.00 0.00 C ATOM 1378 O ILE A 83 -15.120 -4.117 -2.274 1.00 0.00 O ATOM 1379 CB ILE A 83 -12.184 -3.576 -2.203 1.00 0.00 C ATOM 1380 CG1 ILE A 83 -10.890 -3.422 -1.387 1.00 0.00 C ATOM 1381 CG2 ILE A 83 -11.953 -3.079 -3.635 1.00 0.00 C ATOM 1382 CD1 ILE A 83 -9.693 -3.954 -2.181 1.00 0.00 C ATOM 0 H ILE A 83 -13.271 -4.105 0.107 1.00 0.00 H new ATOM 0 HA ILE A 83 -13.046 -1.687 -1.638 1.00 0.00 H new ATOM 0 HB ILE A 83 -12.480 -4.625 -2.236 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -10.732 -2.373 -1.138 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -10.980 -3.963 -0.445 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -11.168 -3.672 -4.104 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -12.875 -3.179 -4.208 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -11.651 -2.032 -3.612 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -8.784 -3.838 -1.590 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.847 -5.009 -2.408 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -9.595 -3.394 -3.111 1.00 0.00 H new ATOM 1394 N ASP A 84 -15.223 -1.964 -2.738 1.00 0.00 N ATOM 1395 CA ASP A 84 -16.540 -2.090 -3.419 1.00 0.00 C ATOM 1396 C ASP A 84 -16.347 -2.430 -4.897 1.00 0.00 C ATOM 1397 O ASP A 84 -15.553 -1.823 -5.591 1.00 0.00 O ATOM 1398 CB ASP A 84 -17.289 -0.762 -3.306 1.00 0.00 C ATOM 1399 CG ASP A 84 -18.739 -0.948 -3.760 1.00 0.00 C ATOM 1400 OD1 ASP A 84 -19.180 -2.082 -3.815 1.00 0.00 O ATOM 1401 OD2 ASP A 84 -19.383 0.048 -4.043 1.00 0.00 O ATOM 0 H ASP A 84 -14.844 -1.017 -2.715 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.110 -2.889 -2.944 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -17.263 -0.405 -2.276 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -16.800 -0.004 -3.918 1.00 0.00 H new ATOM 1406 N GLU A 85 -17.076 -3.398 -5.373 1.00 0.00 N ATOM 1407 CA GLU A 85 -16.971 -3.805 -6.807 1.00 0.00 C ATOM 1408 C GLU A 85 -15.522 -4.144 -7.154 1.00 0.00 C ATOM 1409 O GLU A 85 -15.025 -5.203 -6.825 1.00 0.00 O ATOM 1410 CB GLU A 85 -17.456 -2.665 -7.711 1.00 0.00 C ATOM 1411 CG GLU A 85 -18.959 -2.471 -7.520 1.00 0.00 C ATOM 1412 CD GLU A 85 -19.438 -1.285 -8.364 1.00 0.00 C ATOM 1413 OE1 GLU A 85 -18.631 -0.742 -9.099 1.00 0.00 O ATOM 1414 OE2 GLU A 85 -20.606 -0.948 -8.263 1.00 0.00 O ATOM 0 H GLU A 85 -17.750 -3.933 -4.825 1.00 0.00 H new ATOM 0 HA GLU A 85 -17.594 -4.685 -6.966 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -16.926 -1.744 -7.470 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -17.237 -2.895 -8.754 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -19.492 -3.376 -7.811 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -19.182 -2.295 -6.468 1.00 0.00 H new ATOM 1421 N ASN A 86 -14.847 -3.249 -7.826 1.00 0.00 N ATOM 1422 CA ASN A 86 -13.425 -3.489 -8.217 1.00 0.00 C ATOM 1423 C ASN A 86 -12.538 -2.417 -7.571 1.00 0.00 C ATOM 1424 O ASN A 86 -11.332 -2.554 -7.497 1.00 0.00 O ATOM 1425 CB ASN A 86 -13.312 -3.397 -9.739 1.00 0.00 C ATOM 1426 CG ASN A 86 -13.974 -4.624 -10.376 1.00 0.00 C ATOM 1427 OD1 ASN A 86 -14.198 -5.619 -9.716 1.00 0.00 O ATOM 1428 ND2 ASN A 86 -14.293 -4.597 -11.642 1.00 0.00 N ATOM 0 H ASN A 86 -15.225 -2.350 -8.125 1.00 0.00 H new ATOM 0 HA ASN A 86 -13.104 -4.475 -7.882 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -13.792 -2.486 -10.095 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -12.264 -3.342 -10.034 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -14.730 -5.411 -12.075 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -14.106 -3.762 -12.197 1.00 0.00 H new ATOM 1435 N HIS A 87 -13.129 -1.347 -7.106 1.00 0.00 N ATOM 1436 CA HIS A 87 -12.324 -0.259 -6.470 1.00 0.00 C ATOM 1437 C HIS A 87 -13.218 0.588 -5.557 1.00 0.00 C ATOM 1438 O HIS A 87 -14.134 0.088 -4.932 1.00 0.00 O ATOM 1439 CB HIS A 87 -11.718 0.635 -7.556 1.00 0.00 C ATOM 1440 CG HIS A 87 -12.816 1.360 -8.289 1.00 0.00 C ATOM 1441 ND1 HIS A 87 -13.801 0.687 -8.998 1.00 0.00 N ATOM 1442 CD2 HIS A 87 -13.095 2.696 -8.439 1.00 0.00 C ATOM 1443 CE1 HIS A 87 -14.614 1.613 -9.540 1.00 0.00 C ATOM 1444 NE2 HIS A 87 -14.228 2.854 -9.229 1.00 0.00 N ATOM 0 H HIS A 87 -14.134 -1.179 -7.139 1.00 0.00 H new ATOM 0 HA HIS A 87 -11.526 -0.708 -5.878 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -11.031 1.353 -7.108 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -11.138 0.032 -8.255 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -12.521 3.503 -8.008 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -15.473 1.381 -10.152 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -14.670 3.729 -9.511 1.00 0.00 H new ATOM 1452 N ASP A 88 -12.947 1.868 -5.481 1.00 0.00 N ATOM 1453 CA ASP A 88 -13.765 2.769 -4.611 1.00 0.00 C ATOM 1454 C ASP A 88 -13.739 2.243 -3.175 1.00 0.00 C ATOM 1455 O ASP A 88 -14.730 2.255 -2.468 1.00 0.00 O ATOM 1456 CB ASP A 88 -15.209 2.842 -5.132 1.00 0.00 C ATOM 1457 CG ASP A 88 -15.248 3.694 -6.405 1.00 0.00 C ATOM 1458 OD1 ASP A 88 -14.287 4.402 -6.653 1.00 0.00 O ATOM 1459 OD2 ASP A 88 -16.239 3.627 -7.112 1.00 0.00 O ATOM 0 H ASP A 88 -12.191 2.329 -5.987 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.345 3.774 -4.631 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.583 1.840 -5.340 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.860 3.274 -4.372 1.00 0.00 H new ATOM 1464 N MET A 89 -12.602 1.763 -2.753 1.00 0.00 N ATOM 1465 CA MET A 89 -12.477 1.214 -1.375 1.00 0.00 C ATOM 1466 C MET A 89 -12.375 2.344 -0.355 1.00 0.00 C ATOM 1467 O MET A 89 -11.749 3.360 -0.592 1.00 0.00 O ATOM 1468 CB MET A 89 -11.228 0.334 -1.297 1.00 0.00 C ATOM 1469 CG MET A 89 -9.965 1.201 -1.333 1.00 0.00 C ATOM 1470 SD MET A 89 -8.524 0.151 -1.656 1.00 0.00 S ATOM 1471 CE MET A 89 -8.378 -0.558 0.002 1.00 0.00 C ATOM 0 H MET A 89 -11.748 1.728 -3.309 1.00 0.00 H new ATOM 0 HA MET A 89 -13.363 0.622 -1.146 1.00 0.00 H new ATOM 0 HB2 MET A 89 -11.247 -0.256 -0.381 1.00 0.00 H new ATOM 0 HB3 MET A 89 -11.218 -0.370 -2.129 1.00 0.00 H new ATOM 0 HG2 MET A 89 -10.055 1.962 -2.108 1.00 0.00 H new ATOM 0 HG3 MET A 89 -9.842 1.724 -0.385 1.00 0.00 H new ATOM 0 HE1 MET A 89 -7.390 -0.338 0.406 1.00 0.00 H new ATOM 0 HE2 MET A 89 -9.140 -0.126 0.651 1.00 0.00 H new ATOM 0 HE3 MET A 89 -8.516 -1.638 -0.051 1.00 0.00 H new ATOM 1481 N ASP A 90 -12.986 2.163 0.784 1.00 0.00 N ATOM 1482 CA ASP A 90 -12.940 3.203 1.852 1.00 0.00 C ATOM 1483 C ASP A 90 -12.202 2.652 3.065 1.00 0.00 C ATOM 1484 O ASP A 90 -12.216 1.462 3.331 1.00 0.00 O ATOM 1485 CB ASP A 90 -14.360 3.584 2.255 1.00 0.00 C ATOM 1486 CG ASP A 90 -14.313 4.816 3.162 1.00 0.00 C ATOM 1487 OD1 ASP A 90 -13.304 5.502 3.145 1.00 0.00 O ATOM 1488 OD2 ASP A 90 -15.284 5.052 3.858 1.00 0.00 O ATOM 0 H ASP A 90 -13.522 1.329 1.023 1.00 0.00 H new ATOM 0 HA ASP A 90 -12.420 4.084 1.477 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -14.959 3.793 1.368 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -14.839 2.754 2.774 1.00 0.00 H new ATOM 1493 N PHE A 91 -11.561 3.515 3.801 1.00 0.00 N ATOM 1494 CA PHE A 91 -10.812 3.077 5.007 1.00 0.00 C ATOM 1495 C PHE A 91 -11.606 3.450 6.260 1.00 0.00 C ATOM 1496 O PHE A 91 -11.614 4.584 6.700 1.00 0.00 O ATOM 1497 CB PHE A 91 -9.449 3.775 5.018 1.00 0.00 C ATOM 1498 CG PHE A 91 -8.708 3.425 3.749 1.00 0.00 C ATOM 1499 CD1 PHE A 91 -7.975 2.235 3.678 1.00 0.00 C ATOM 1500 CD2 PHE A 91 -8.750 4.288 2.645 1.00 0.00 C ATOM 1501 CE1 PHE A 91 -7.288 1.902 2.503 1.00 0.00 C ATOM 1502 CE2 PHE A 91 -8.062 3.955 1.470 1.00 0.00 C ATOM 1503 CZ PHE A 91 -7.328 2.765 1.402 1.00 0.00 C ATOM 0 H PHE A 91 -11.525 4.517 3.615 1.00 0.00 H new ATOM 0 HA PHE A 91 -10.667 1.997 4.991 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.579 4.855 5.092 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -8.873 3.463 5.889 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.939 1.572 4.530 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.312 5.209 2.700 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.728 0.980 2.447 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.098 4.617 0.617 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.792 2.513 0.499 1.00 0.00 H new ATOM 1513 N LEU A 92 -12.269 2.487 6.835 1.00 0.00 N ATOM 1514 CA LEU A 92 -13.067 2.742 8.067 1.00 0.00 C ATOM 1515 C LEU A 92 -12.121 3.077 9.216 1.00 0.00 C ATOM 1516 O LEU A 92 -12.391 3.935 10.033 1.00 0.00 O ATOM 1517 CB LEU A 92 -13.867 1.485 8.414 1.00 0.00 C ATOM 1518 CG LEU A 92 -14.680 1.040 7.194 1.00 0.00 C ATOM 1519 CD1 LEU A 92 -15.401 -0.274 7.511 1.00 0.00 C ATOM 1520 CD2 LEU A 92 -15.715 2.119 6.836 1.00 0.00 C ATOM 0 H LEU A 92 -12.293 1.524 6.501 1.00 0.00 H new ATOM 0 HA LEU A 92 -13.749 3.576 7.902 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -13.193 0.687 8.725 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -14.532 1.685 9.254 1.00 0.00 H new ATOM 0 HG LEU A 92 -14.007 0.892 6.349 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -15.979 -0.590 6.643 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -14.667 -1.041 7.757 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -16.070 -0.126 8.359 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -16.290 1.798 5.968 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -16.387 2.273 7.680 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -15.202 3.053 6.606 1.00 0.00 H new ATOM 1532 N TYR A 93 -11.008 2.401 9.290 1.00 0.00 N ATOM 1533 CA TYR A 93 -10.045 2.680 10.393 1.00 0.00 C ATOM 1534 C TYR A 93 -8.620 2.531 9.877 1.00 0.00 C ATOM 1535 O TYR A 93 -8.259 1.523 9.297 1.00 0.00 O ATOM 1536 CB TYR A 93 -10.281 1.701 11.542 1.00 0.00 C ATOM 1537 CG TYR A 93 -9.526 2.178 12.755 1.00 0.00 C ATOM 1538 CD1 TYR A 93 -10.137 3.064 13.649 1.00 0.00 C ATOM 1539 CD2 TYR A 93 -8.218 1.741 12.989 1.00 0.00 C ATOM 1540 CE1 TYR A 93 -9.440 3.518 14.773 1.00 0.00 C ATOM 1541 CE2 TYR A 93 -7.520 2.193 14.115 1.00 0.00 C ATOM 1542 CZ TYR A 93 -8.132 3.080 15.008 1.00 0.00 C ATOM 1543 OH TYR A 93 -7.443 3.526 16.117 1.00 0.00 O ATOM 0 H TYR A 93 -10.724 1.670 8.637 1.00 0.00 H new ATOM 0 HA TYR A 93 -10.194 3.698 10.752 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -11.346 1.631 11.765 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -9.948 0.702 11.260 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.149 3.398 13.471 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.747 1.055 12.301 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -9.911 4.206 15.459 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.509 1.857 14.295 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.549 3.124 16.130 1.00 0.00 H new ATOM 1553 N LEU A 94 -7.815 3.536 10.085 1.00 0.00 N ATOM 1554 CA LEU A 94 -6.396 3.497 9.617 1.00 0.00 C ATOM 1555 C LEU A 94 -5.455 3.482 10.818 1.00 0.00 C ATOM 1556 O LEU A 94 -5.587 4.277 11.731 1.00 0.00 O ATOM 1557 CB LEU A 94 -6.111 4.741 8.770 1.00 0.00 C ATOM 1558 CG LEU A 94 -4.678 4.684 8.216 1.00 0.00 C ATOM 1559 CD1 LEU A 94 -4.504 3.442 7.321 1.00 0.00 C ATOM 1560 CD2 LEU A 94 -4.398 5.955 7.405 1.00 0.00 C ATOM 0 H LEU A 94 -8.082 4.395 10.566 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.237 2.597 9.023 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.825 4.803 7.949 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.241 5.639 9.374 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.974 4.618 9.045 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.485 3.412 6.934 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.697 2.542 7.906 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.207 3.492 6.489 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.383 5.918 7.010 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.106 6.023 6.579 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.506 6.828 8.048 1.00 0.00 H new ATOM 1572 N HIS A 95 -4.508 2.581 10.823 1.00 0.00 N ATOM 1573 CA HIS A 95 -3.542 2.499 11.960 1.00 0.00 C ATOM 1574 C HIS A 95 -2.110 2.540 11.428 1.00 0.00 C ATOM 1575 O HIS A 95 -1.621 1.589 10.849 1.00 0.00 O ATOM 1576 CB HIS A 95 -3.762 1.191 12.720 1.00 0.00 C ATOM 1577 CG HIS A 95 -3.032 1.269 14.027 1.00 0.00 C ATOM 1578 ND1 HIS A 95 -2.184 2.321 14.325 1.00 0.00 N ATOM 1579 CD2 HIS A 95 -3.024 0.454 15.131 1.00 0.00 C ATOM 1580 CE1 HIS A 95 -1.706 2.118 15.563 1.00 0.00 C ATOM 1581 NE2 HIS A 95 -2.186 0.993 16.102 1.00 0.00 N ATOM 0 H HIS A 95 -4.361 1.894 10.084 1.00 0.00 H new ATOM 0 HA HIS A 95 -3.702 3.345 12.629 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -4.826 1.027 12.890 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -3.399 0.347 12.134 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -3.583 -0.465 15.231 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -1.017 2.783 16.063 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -1.982 0.612 17.026 1.00 0.00 H new ATOM 1589 N ASN A 96 -1.434 3.637 11.633 1.00 0.00 N ATOM 1590 CA ASN A 96 -0.027 3.766 11.160 1.00 0.00 C ATOM 1591 C ASN A 96 0.927 3.468 12.323 1.00 0.00 C ATOM 1592 O ASN A 96 1.165 4.294 13.182 1.00 0.00 O ATOM 1593 CB ASN A 96 0.199 5.189 10.651 1.00 0.00 C ATOM 1594 CG ASN A 96 1.610 5.310 10.077 1.00 0.00 C ATOM 1595 OD1 ASN A 96 2.533 4.692 10.569 1.00 0.00 O ATOM 1596 ND2 ASN A 96 1.818 6.083 9.047 1.00 0.00 N ATOM 0 H ASN A 96 -1.801 4.458 12.114 1.00 0.00 H new ATOM 0 HA ASN A 96 0.163 3.059 10.352 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -0.538 5.434 9.886 1.00 0.00 H new ATOM 0 HB3 ASN A 96 0.064 5.903 11.464 1.00 0.00 H new ATOM 0 HD21 ASN A 96 2.756 6.169 8.655 1.00 0.00 H new ATOM 0 HD22 ASN A 96 1.043 6.602 8.634 1.00 0.00 H new ATOM 1603 N THR A 97 1.465 2.282 12.345 1.00 0.00 N ATOM 1604 CA THR A 97 2.406 1.882 13.436 1.00 0.00 C ATOM 1605 C THR A 97 1.853 2.287 14.803 1.00 0.00 C ATOM 1606 O THR A 97 1.025 1.608 15.380 1.00 0.00 O ATOM 1607 CB THR A 97 3.761 2.569 13.233 1.00 0.00 C ATOM 1608 OG1 THR A 97 3.554 3.940 12.929 1.00 0.00 O ATOM 1609 CG2 THR A 97 4.513 1.896 12.087 1.00 0.00 C ATOM 0 H THR A 97 1.292 1.560 11.645 1.00 0.00 H new ATOM 0 HA THR A 97 2.524 0.799 13.401 1.00 0.00 H new ATOM 0 HB THR A 97 4.351 2.485 14.146 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.441 4.047 11.961 1.00 0.00 H new ATOM 0 HG21 THR A 97 5.476 2.387 11.946 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.673 0.844 12.325 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.927 1.975 11.171 1.00 0.00 H new ATOM 1617 N VAL A 98 2.327 3.385 15.327 1.00 0.00 N ATOM 1618 CA VAL A 98 1.868 3.862 16.666 1.00 0.00 C ATOM 1619 C VAL A 98 1.397 5.316 16.554 1.00 0.00 C ATOM 1620 O VAL A 98 1.337 6.040 17.526 1.00 0.00 O ATOM 1621 CB VAL A 98 3.028 3.730 17.666 1.00 0.00 C ATOM 1622 CG1 VAL A 98 4.141 4.732 17.330 1.00 0.00 C ATOM 1623 CG2 VAL A 98 2.523 3.980 19.098 1.00 0.00 C ATOM 0 H VAL A 98 3.023 3.981 14.878 1.00 0.00 H new ATOM 0 HA VAL A 98 1.031 3.259 17.020 1.00 0.00 H new ATOM 0 HB VAL A 98 3.429 2.719 17.597 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.955 4.626 18.047 1.00 0.00 H new ATOM 0 HG12 VAL A 98 4.515 4.537 16.325 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.744 5.746 17.379 1.00 0.00 H new ATOM 0 HG21 VAL A 98 3.353 3.884 19.798 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.105 4.984 19.166 1.00 0.00 H new ATOM 0 HG23 VAL A 98 1.753 3.249 19.345 1.00 0.00 H new ATOM 1633 N MET A 99 1.061 5.744 15.366 1.00 0.00 N ATOM 1634 CA MET A 99 0.590 7.152 15.172 1.00 0.00 C ATOM 1635 C MET A 99 -0.521 7.185 14.113 1.00 0.00 C ATOM 1636 O MET A 99 -0.308 7.621 12.997 1.00 0.00 O ATOM 1637 CB MET A 99 1.764 8.030 14.718 1.00 0.00 C ATOM 1638 CG MET A 99 2.577 7.306 13.644 1.00 0.00 C ATOM 1639 SD MET A 99 3.680 8.490 12.832 1.00 0.00 S ATOM 1640 CE MET A 99 4.106 7.470 11.402 1.00 0.00 C ATOM 0 H MET A 99 1.092 5.179 14.517 1.00 0.00 H new ATOM 0 HA MET A 99 0.198 7.534 16.115 1.00 0.00 H new ATOM 0 HB2 MET A 99 1.390 8.976 14.326 1.00 0.00 H new ATOM 0 HB3 MET A 99 2.402 8.267 15.570 1.00 0.00 H new ATOM 0 HG2 MET A 99 3.157 6.499 14.092 1.00 0.00 H new ATOM 0 HG3 MET A 99 1.910 6.851 12.912 1.00 0.00 H new ATOM 0 HE1 MET A 99 5.110 7.722 11.062 1.00 0.00 H new ATOM 0 HE2 MET A 99 4.071 6.417 11.683 1.00 0.00 H new ATOM 0 HE3 MET A 99 3.393 7.655 10.598 1.00 0.00 H new ATOM 1650 N PRO A 100 -1.699 6.730 14.468 1.00 0.00 N ATOM 1651 CA PRO A 100 -2.874 6.702 13.543 1.00 0.00 C ATOM 1652 C PRO A 100 -3.257 8.103 13.037 1.00 0.00 C ATOM 1653 O PRO A 100 -3.184 9.081 13.754 1.00 0.00 O ATOM 1654 CB PRO A 100 -4.007 6.102 14.404 1.00 0.00 C ATOM 1655 CG PRO A 100 -3.309 5.388 15.518 1.00 0.00 C ATOM 1656 CD PRO A 100 -2.034 6.184 15.787 1.00 0.00 C ATOM 0 HA PRO A 100 -2.664 6.126 12.642 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -4.667 6.881 14.786 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -4.625 5.418 13.822 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -3.937 5.343 16.408 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -3.077 4.360 15.239 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.199 6.974 16.520 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.237 5.550 16.175 1.00 0.00 H new ATOM 1664 N LEU A 101 -3.663 8.195 11.799 1.00 0.00 N ATOM 1665 CA LEU A 101 -4.059 9.518 11.225 1.00 0.00 C ATOM 1666 C LEU A 101 -5.587 9.661 11.252 1.00 0.00 C ATOM 1667 O LEU A 101 -6.137 10.504 11.934 1.00 0.00 O ATOM 1668 CB LEU A 101 -3.587 9.592 9.772 1.00 0.00 C ATOM 1669 CG LEU A 101 -2.086 9.291 9.687 1.00 0.00 C ATOM 1670 CD1 LEU A 101 -1.639 9.356 8.223 1.00 0.00 C ATOM 1671 CD2 LEU A 101 -1.299 10.318 10.513 1.00 0.00 C ATOM 0 H LEU A 101 -3.738 7.407 11.155 1.00 0.00 H new ATOM 0 HA LEU A 101 -3.606 10.316 11.814 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.143 8.878 9.164 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -3.790 10.583 9.366 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.894 8.294 10.084 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.572 9.143 8.159 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.192 8.619 7.641 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.834 10.353 7.827 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.233 10.098 10.448 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.487 11.319 10.124 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.617 10.268 11.554 1.00 0.00 H new ATOM 1683 N LEU A 102 -6.271 8.843 10.500 1.00 0.00 N ATOM 1684 CA LEU A 102 -7.760 8.925 10.459 1.00 0.00 C ATOM 1685 C LEU A 102 -8.345 8.288 11.719 1.00 0.00 C ATOM 1686 O LEU A 102 -8.753 8.969 12.645 1.00 0.00 O ATOM 1687 CB LEU A 102 -8.273 8.170 9.226 1.00 0.00 C ATOM 1688 CG LEU A 102 -7.585 8.713 7.969 1.00 0.00 C ATOM 1689 CD1 LEU A 102 -8.074 7.936 6.740 1.00 0.00 C ATOM 1690 CD2 LEU A 102 -7.905 10.206 7.800 1.00 0.00 C ATOM 0 H LEU A 102 -5.862 8.119 9.910 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.065 9.970 10.407 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.073 7.104 9.331 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.354 8.285 9.140 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.507 8.590 8.069 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.584 8.323 5.846 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.833 6.880 6.858 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.153 8.053 6.641 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.412 10.585 6.904 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -8.983 10.339 7.705 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.547 10.756 8.671 1.00 0.00 H new ATOM 1702 N ASP A 103 -8.390 6.983 11.750 1.00 0.00 N ATOM 1703 CA ASP A 103 -8.950 6.258 12.928 1.00 0.00 C ATOM 1704 C ASP A 103 -10.186 6.990 13.467 1.00 0.00 C ATOM 1705 O ASP A 103 -10.096 7.807 14.365 1.00 0.00 O ATOM 1706 CB ASP A 103 -7.884 6.139 14.029 1.00 0.00 C ATOM 1707 CG ASP A 103 -7.122 7.455 14.180 1.00 0.00 C ATOM 1708 OD1 ASP A 103 -6.347 7.773 13.293 1.00 0.00 O ATOM 1709 OD2 ASP A 103 -7.319 8.119 15.182 1.00 0.00 O ATOM 0 H ASP A 103 -8.058 6.380 10.998 1.00 0.00 H new ATOM 0 HA ASP A 103 -9.247 5.258 12.614 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -8.357 5.875 14.975 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -7.189 5.335 13.785 1.00 0.00 H new ATOM 1714 N GLN A 104 -11.339 6.702 12.914 1.00 0.00 N ATOM 1715 CA GLN A 104 -12.597 7.370 13.375 1.00 0.00 C ATOM 1716 C GLN A 104 -13.547 6.335 13.985 1.00 0.00 C ATOM 1717 O GLN A 104 -14.038 5.437 13.322 1.00 0.00 O ATOM 1718 CB GLN A 104 -13.271 8.059 12.190 1.00 0.00 C ATOM 1719 CG GLN A 104 -12.396 9.225 11.726 1.00 0.00 C ATOM 1720 CD GLN A 104 -13.032 9.890 10.504 1.00 0.00 C ATOM 1721 OE1 GLN A 104 -14.105 9.511 10.078 1.00 0.00 O ATOM 1722 NE2 GLN A 104 -12.410 10.879 9.922 1.00 0.00 N ATOM 0 H GLN A 104 -11.464 6.029 12.158 1.00 0.00 H new ATOM 0 HA GLN A 104 -12.352 8.113 14.134 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -13.416 7.350 11.375 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -14.258 8.421 12.477 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -12.284 9.952 12.531 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -11.397 8.867 11.479 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -11.509 11.196 10.280 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -12.825 11.334 9.109 1.00 0.00 H new ATOM 1731 N ARG A 105 -13.808 6.476 15.248 1.00 0.00 N ATOM 1732 CA ARG A 105 -14.727 5.537 15.950 1.00 0.00 C ATOM 1733 C ARG A 105 -16.138 5.698 15.384 1.00 0.00 C ATOM 1734 O ARG A 105 -16.907 4.759 15.307 1.00 0.00 O ATOM 1735 CB ARG A 105 -14.740 5.879 17.437 1.00 0.00 C ATOM 1736 CG ARG A 105 -13.327 5.751 18.025 1.00 0.00 C ATOM 1737 CD ARG A 105 -12.992 4.279 18.287 1.00 0.00 C ATOM 1738 NE ARG A 105 -11.681 4.184 18.983 1.00 0.00 N ATOM 1739 CZ ARG A 105 -10.904 3.145 18.807 1.00 0.00 C ATOM 1740 NH1 ARG A 105 -11.290 2.156 18.046 1.00 0.00 N ATOM 1741 NH2 ARG A 105 -9.753 3.093 19.406 1.00 0.00 N ATOM 0 H ARG A 105 -13.419 7.213 15.837 1.00 0.00 H new ATOM 0 HA ARG A 105 -14.390 4.510 15.808 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -15.111 6.894 17.581 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -15.423 5.213 17.965 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -12.599 6.180 17.336 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -13.259 6.317 18.954 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -13.772 3.820 18.894 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -12.957 3.730 17.346 1.00 0.00 H new ATOM 0 HE ARG A 105 -11.384 4.937 19.604 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -12.200 2.191 17.586 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -10.682 1.348 17.912 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -9.458 3.860 20.011 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -9.144 2.286 19.272 1.00 0.00 H new ATOM 1755 N TYR A 106 -16.476 6.893 14.994 1.00 0.00 N ATOM 1756 CA TYR A 106 -17.834 7.144 14.435 1.00 0.00 C ATOM 1757 C TYR A 106 -18.088 6.178 13.276 1.00 0.00 C ATOM 1758 O TYR A 106 -19.131 5.560 13.175 1.00 0.00 O ATOM 1759 CB TYR A 106 -17.897 8.576 13.899 1.00 0.00 C ATOM 1760 CG TYR A 106 -17.613 9.558 15.011 1.00 0.00 C ATOM 1761 CD1 TYR A 106 -18.646 9.962 15.863 1.00 0.00 C ATOM 1762 CD2 TYR A 106 -16.319 10.066 15.188 1.00 0.00 C ATOM 1763 CE1 TYR A 106 -18.388 10.875 16.892 1.00 0.00 C ATOM 1764 CE2 TYR A 106 -16.061 10.980 16.217 1.00 0.00 C ATOM 1765 CZ TYR A 106 -17.096 11.383 17.070 1.00 0.00 C ATOM 1766 OH TYR A 106 -16.843 12.283 18.085 1.00 0.00 O ATOM 0 H TYR A 106 -15.869 7.711 15.038 1.00 0.00 H new ATOM 0 HA TYR A 106 -18.583 7.000 15.214 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -17.172 8.704 13.096 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -18.882 8.771 13.474 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -19.643 9.569 15.727 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -15.521 9.753 14.531 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -19.186 11.188 17.549 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -15.065 11.374 16.353 1.00 0.00 H new ATOM 0 HH TYR A 106 -15.896 12.535 18.070 1.00 0.00 H new ATOM 1776 N LEU A 107 -17.133 6.050 12.407 1.00 0.00 N ATOM 1777 CA LEU A 107 -17.286 5.131 11.243 1.00 0.00 C ATOM 1778 C LEU A 107 -17.384 3.685 11.734 1.00 0.00 C ATOM 1779 O LEU A 107 -18.185 2.902 11.256 1.00 0.00 O ATOM 1780 CB LEU A 107 -16.068 5.293 10.334 1.00 0.00 C ATOM 1781 CG LEU A 107 -16.255 6.519 9.425 1.00 0.00 C ATOM 1782 CD1 LEU A 107 -17.362 6.257 8.377 1.00 0.00 C ATOM 1783 CD2 LEU A 107 -16.628 7.739 10.284 1.00 0.00 C ATOM 0 H LEU A 107 -16.242 6.546 12.450 1.00 0.00 H new ATOM 0 HA LEU A 107 -18.195 5.373 10.692 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -15.167 5.409 10.936 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -15.933 4.397 9.728 1.00 0.00 H new ATOM 0 HG LEU A 107 -15.321 6.713 8.898 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -17.479 7.136 7.744 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -17.085 5.401 7.762 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -18.303 6.049 8.886 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -16.761 8.609 9.641 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -17.556 7.537 10.819 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -15.831 7.936 11.001 1.00 0.00 H new ATOM 1795 N LEU A 108 -16.577 3.325 12.687 1.00 0.00 N ATOM 1796 CA LEU A 108 -16.626 1.928 13.210 1.00 0.00 C ATOM 1797 C LEU A 108 -17.990 1.667 13.858 1.00 0.00 C ATOM 1798 O LEU A 108 -18.581 0.614 13.697 1.00 0.00 O ATOM 1799 CB LEU A 108 -15.522 1.727 14.249 1.00 0.00 C ATOM 1800 CG LEU A 108 -14.145 1.720 13.561 1.00 0.00 C ATOM 1801 CD1 LEU A 108 -13.037 1.719 14.628 1.00 0.00 C ATOM 1802 CD2 LEU A 108 -14.001 0.475 12.655 1.00 0.00 C ATOM 0 H LEU A 108 -15.886 3.932 13.128 1.00 0.00 H new ATOM 0 HA LEU A 108 -16.477 1.232 12.385 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -15.562 2.523 14.992 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -15.677 0.787 14.779 1.00 0.00 H new ATOM 0 HG LEU A 108 -14.055 2.613 12.943 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -12.062 1.714 14.140 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -13.128 2.611 15.248 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -13.135 0.831 15.253 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -13.022 0.485 12.176 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -14.101 -0.427 13.258 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -14.779 0.489 11.891 1.00 0.00 H new ATOM 1814 N THR A 109 -18.496 2.622 14.586 1.00 0.00 N ATOM 1815 CA THR A 109 -19.825 2.449 15.254 1.00 0.00 C ATOM 1816 C THR A 109 -20.911 3.130 14.412 1.00 0.00 C ATOM 1817 O THR A 109 -22.066 3.188 14.787 1.00 0.00 O ATOM 1818 CB THR A 109 -19.774 3.077 16.649 1.00 0.00 C ATOM 1819 OG1 THR A 109 -19.184 4.369 16.568 1.00 0.00 O ATOM 1820 CG2 THR A 109 -18.936 2.193 17.573 1.00 0.00 C ATOM 0 H THR A 109 -18.046 3.523 14.751 1.00 0.00 H new ATOM 0 HA THR A 109 -20.058 1.388 15.346 1.00 0.00 H new ATOM 0 HB THR A 109 -20.786 3.164 17.045 1.00 0.00 H new ATOM 0 HG1 THR A 109 -18.219 4.279 16.425 1.00 0.00 H new ATOM 0 HG21 THR A 109 -18.898 2.638 18.567 1.00 0.00 H new ATOM 0 HG22 THR A 109 -19.387 1.202 17.636 1.00 0.00 H new ATOM 0 HG23 THR A 109 -17.925 2.107 17.176 1.00 0.00 H new ATOM 1828 N GLY A 110 -20.543 3.631 13.268 1.00 0.00 N ATOM 1829 CA GLY A 110 -21.540 4.297 12.378 1.00 0.00 C ATOM 1830 C GLY A 110 -21.904 5.691 12.897 1.00 0.00 C ATOM 1831 O GLY A 110 -21.443 6.135 13.933 1.00 0.00 O ATOM 0 H GLY A 110 -19.589 3.609 12.906 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -21.135 4.376 11.369 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -22.439 3.684 12.313 1.00 0.00 H new ATOM 1835 N GLY A 111 -22.734 6.382 12.163 1.00 0.00 N ATOM 1836 CA GLY A 111 -23.148 7.756 12.571 1.00 0.00 C ATOM 1837 C GLY A 111 -24.170 7.688 13.708 1.00 0.00 C ATOM 1838 O GLY A 111 -25.083 6.882 13.696 1.00 0.00 O ATOM 0 H GLY A 111 -23.146 6.051 11.291 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -22.276 8.326 12.891 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -23.577 8.282 11.718 1.00 0.00 H new ATOM 1842 N GLN A 112 -24.020 8.530 14.694 1.00 0.00 N ATOM 1843 CA GLN A 112 -24.972 8.528 15.846 1.00 0.00 C ATOM 1844 C GLN A 112 -26.029 9.616 15.649 1.00 0.00 C ATOM 1845 O GLN A 112 -25.727 10.753 15.336 1.00 0.00 O ATOM 1846 CB GLN A 112 -24.196 8.786 17.141 1.00 0.00 C ATOM 1847 CG GLN A 112 -25.133 8.653 18.349 1.00 0.00 C ATOM 1848 CD GLN A 112 -25.619 7.206 18.466 1.00 0.00 C ATOM 1849 OE1 GLN A 112 -24.871 6.278 18.231 1.00 0.00 O ATOM 1850 NE2 GLN A 112 -26.857 6.974 18.813 1.00 0.00 N ATOM 0 H GLN A 112 -23.275 9.224 14.753 1.00 0.00 H new ATOM 0 HA GLN A 112 -25.469 7.560 15.905 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -23.373 8.077 17.229 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -23.757 9.783 17.119 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -24.612 8.947 19.260 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -25.984 9.325 18.238 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -27.486 7.753 19.011 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -27.195 6.014 18.886 1.00 0.00 H new ATOM 1859 N LEU A 113 -27.271 9.260 15.831 1.00 0.00 N ATOM 1860 CA LEU A 113 -28.380 10.242 15.657 1.00 0.00 C ATOM 1861 C LEU A 113 -28.434 11.203 16.848 1.00 0.00 C ATOM 1862 O LEU A 113 -28.264 10.819 17.991 1.00 0.00 O ATOM 1863 CB LEU A 113 -29.703 9.478 15.554 1.00 0.00 C ATOM 1864 CG LEU A 113 -29.626 8.465 14.403 1.00 0.00 C ATOM 1865 CD1 LEU A 113 -30.934 7.670 14.332 1.00 0.00 C ATOM 1866 CD2 LEU A 113 -29.395 9.202 13.071 1.00 0.00 C ATOM 0 H LEU A 113 -27.568 8.321 16.096 1.00 0.00 H new ATOM 0 HA LEU A 113 -28.209 10.823 14.750 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -29.911 8.963 16.492 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -30.524 10.174 15.384 1.00 0.00 H new ATOM 0 HG LEU A 113 -28.795 7.782 14.581 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -30.879 6.951 13.515 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -31.089 7.140 15.272 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -31.766 8.353 14.159 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -29.341 8.477 12.259 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -30.220 9.891 12.889 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -28.460 9.760 13.121 1.00 0.00 H new ATOM 1878 N GLU A 114 -28.661 12.455 16.573 1.00 0.00 N ATOM 1879 CA GLU A 114 -28.725 13.483 17.654 1.00 0.00 C ATOM 1880 C GLU A 114 -30.141 13.583 18.223 1.00 0.00 C ATOM 1881 O GLU A 114 -30.978 12.719 18.028 1.00 0.00 O ATOM 1882 CB GLU A 114 -28.321 14.834 17.078 1.00 0.00 C ATOM 1883 CG GLU A 114 -26.858 14.812 16.611 1.00 0.00 C ATOM 1884 CD GLU A 114 -26.758 14.163 15.223 1.00 0.00 C ATOM 1885 OE1 GLU A 114 -27.769 13.693 14.732 1.00 0.00 O ATOM 1886 OE2 GLU A 114 -25.668 14.158 14.673 1.00 0.00 O ATOM 0 H GLU A 114 -28.808 12.818 15.631 1.00 0.00 H new ATOM 0 HA GLU A 114 -28.046 13.193 18.456 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -28.971 15.086 16.240 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -28.455 15.610 17.831 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -26.464 15.828 16.576 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -26.248 14.258 17.325 1.00 0.00 H new ATOM 1893 N HIS A 115 -30.403 14.649 18.934 1.00 0.00 N ATOM 1894 CA HIS A 115 -31.750 14.849 19.540 1.00 0.00 C ATOM 1895 C HIS A 115 -32.101 13.625 20.395 1.00 0.00 C ATOM 1896 O HIS A 115 -33.254 13.351 20.675 1.00 0.00 O ATOM 1897 CB HIS A 115 -32.802 15.046 18.445 1.00 0.00 C ATOM 1898 CG HIS A 115 -34.078 15.548 19.064 1.00 0.00 C ATOM 1899 ND1 HIS A 115 -35.037 14.691 19.580 1.00 0.00 N ATOM 1900 CD2 HIS A 115 -34.567 16.817 19.262 1.00 0.00 C ATOM 1901 CE1 HIS A 115 -36.043 15.446 20.059 1.00 0.00 C ATOM 1902 NE2 HIS A 115 -35.808 16.750 19.890 1.00 0.00 N ATOM 0 H HIS A 115 -29.734 15.396 19.121 1.00 0.00 H new ATOM 0 HA HIS A 115 -31.736 15.741 20.166 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -32.441 15.757 17.702 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -32.982 14.105 17.925 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -34.989 13.672 19.594 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -34.065 17.729 18.974 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -36.932 15.046 20.524 1.00 0.00 H new ATOM 1910 N HIS A 116 -31.105 12.898 20.813 1.00 0.00 N ATOM 1911 CA HIS A 116 -31.351 11.695 21.658 1.00 0.00 C ATOM 1912 C HIS A 116 -31.688 12.137 23.089 1.00 0.00 C ATOM 1913 O HIS A 116 -31.695 11.346 24.014 1.00 0.00 O ATOM 1914 CB HIS A 116 -30.094 10.819 21.670 1.00 0.00 C ATOM 1915 CG HIS A 116 -28.964 11.552 22.347 1.00 0.00 C ATOM 1916 ND1 HIS A 116 -28.125 12.418 21.660 1.00 0.00 N ATOM 1917 CD2 HIS A 116 -28.512 11.546 23.644 1.00 0.00 C ATOM 1918 CE1 HIS A 116 -27.222 12.891 22.539 1.00 0.00 C ATOM 1919 NE2 HIS A 116 -27.413 12.392 23.763 1.00 0.00 N ATOM 0 H HIS A 116 -30.124 13.085 20.605 1.00 0.00 H new ATOM 0 HA HIS A 116 -32.186 11.125 21.251 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -30.297 9.884 22.192 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -29.811 10.560 20.650 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -28.944 10.972 24.450 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -26.438 13.589 22.285 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -26.870 12.589 24.604 1.00 0.00 H new ATOM 1927 N HIS A 117 -31.978 13.396 23.271 1.00 0.00 N ATOM 1928 CA HIS A 117 -32.326 13.894 24.635 1.00 0.00 C ATOM 1929 C HIS A 117 -33.578 13.171 25.130 1.00 0.00 C ATOM 1930 O HIS A 117 -33.668 12.758 26.273 1.00 0.00 O ATOM 1931 CB HIS A 117 -32.608 15.396 24.572 1.00 0.00 C ATOM 1932 CG HIS A 117 -32.909 15.909 25.955 1.00 0.00 C ATOM 1933 ND1 HIS A 117 -34.200 15.970 26.458 1.00 0.00 N ATOM 1934 CD2 HIS A 117 -32.094 16.382 26.953 1.00 0.00 C ATOM 1935 CE1 HIS A 117 -34.123 16.463 27.708 1.00 0.00 C ATOM 1936 NE2 HIS A 117 -32.862 16.732 28.059 1.00 0.00 N ATOM 0 H HIS A 117 -31.989 14.102 22.535 1.00 0.00 H new ATOM 0 HA HIS A 117 -31.495 13.705 25.315 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -31.748 15.921 24.157 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -33.451 15.591 23.909 1.00 0.00 H new ATOM 0 HD1 HIS A 117 -35.052 15.692 25.970 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -31.019 16.469 26.889 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -34.977 16.622 28.350 1.00 0.00 H new ATOM 1944 N HIS A 118 -34.553 13.019 24.278 1.00 0.00 N ATOM 1945 CA HIS A 118 -35.808 12.327 24.692 1.00 0.00 C ATOM 1946 C HIS A 118 -36.493 11.721 23.466 1.00 0.00 C ATOM 1947 O HIS A 118 -36.359 12.209 22.361 1.00 0.00 O ATOM 1948 CB HIS A 118 -36.753 13.321 25.374 1.00 0.00 C ATOM 1949 CG HIS A 118 -37.056 14.470 24.446 1.00 0.00 C ATOM 1950 ND1 HIS A 118 -36.136 15.474 24.183 1.00 0.00 N ATOM 1951 CD2 HIS A 118 -38.181 14.797 23.728 1.00 0.00 C ATOM 1952 CE1 HIS A 118 -36.719 16.349 23.341 1.00 0.00 C ATOM 1953 NE2 HIS A 118 -37.966 15.983 23.033 1.00 0.00 N ATOM 0 H HIS A 118 -34.536 13.344 23.311 1.00 0.00 H new ATOM 0 HA HIS A 118 -35.560 11.532 25.395 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -37.678 12.819 25.657 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -36.299 13.695 26.292 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -39.094 14.221 23.706 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -36.237 17.238 22.961 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -38.620 16.469 22.420 1.00 0.00 H new ATOM 1961 N HIS A 119 -37.218 10.656 23.661 1.00 0.00 N ATOM 1962 CA HIS A 119 -37.920 9.996 22.524 1.00 0.00 C ATOM 1963 C HIS A 119 -39.143 9.247 23.064 1.00 0.00 C ATOM 1964 O HIS A 119 -40.149 9.107 22.400 1.00 0.00 O ATOM 1965 CB HIS A 119 -36.969 9.000 21.845 1.00 0.00 C ATOM 1966 CG HIS A 119 -36.496 7.980 22.850 1.00 0.00 C ATOM 1967 ND1 HIS A 119 -35.346 8.164 23.605 1.00 0.00 N ATOM 1968 CD2 HIS A 119 -36.994 6.755 23.220 1.00 0.00 C ATOM 1969 CE1 HIS A 119 -35.193 7.075 24.382 1.00 0.00 C ATOM 1970 NE2 HIS A 119 -36.171 6.187 24.187 1.00 0.00 N ATOM 0 H HIS A 119 -37.356 10.210 24.568 1.00 0.00 H new ATOM 0 HA HIS A 119 -38.235 10.745 21.798 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -37.478 8.502 21.020 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -36.116 9.529 21.421 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -37.889 6.301 22.821 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -34.379 6.937 25.078 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -36.289 5.285 24.648 1.00 0.00 H new ATOM 1978 N HIS A 120 -39.053 8.763 24.273 1.00 0.00 N ATOM 1979 CA HIS A 120 -40.200 8.019 24.877 1.00 0.00 C ATOM 1980 C HIS A 120 -41.290 9.005 25.309 1.00 0.00 C ATOM 1981 O HIS A 120 -42.105 8.632 26.136 1.00 0.00 O ATOM 1982 CB HIS A 120 -39.700 7.238 26.092 1.00 0.00 C ATOM 1983 CG HIS A 120 -40.777 6.311 26.581 1.00 0.00 C ATOM 1984 ND1 HIS A 120 -41.651 6.663 27.597 1.00 0.00 N ATOM 1985 CD2 HIS A 120 -41.135 5.042 26.200 1.00 0.00 C ATOM 1986 CE1 HIS A 120 -42.485 5.625 27.792 1.00 0.00 C ATOM 1987 NE2 HIS A 120 -42.215 4.610 26.966 1.00 0.00 N ATOM 1988 OXT HIS A 120 -41.292 10.115 24.803 1.00 0.00 O ATOM 0 H HIS A 120 -38.232 8.850 24.872 1.00 0.00 H new ATOM 0 HA HIS A 120 -40.618 7.331 24.142 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -38.809 6.668 25.828 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -39.413 7.928 26.886 1.00 0.00 H new ATOM 0 HD1 HIS A 120 -41.661 7.548 28.105 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -40.653 4.466 25.424 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -43.276 5.614 28.527 1.00 0.00 H new TER 1996 HIS A 120