USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 861 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 25 HIS : no HE2:sc= -6.84! C(o=-8.1!,f=-13!) USER MOD Set 1.2: A 39 MET CE :methyl -140:sc= -0.203 (180deg=0) USER MOD Set 1.3: A 55 TYR OH : rot 180:sc= -1.01 USER MOD Set 2.1: A 23 TYR OH : rot 24:sc= 0.149 USER MOD Set 2.2: A 46 HIS : no HD1:sc= -2.37! K(o=-2.2!,f=-1.2) USER MOD Single : A 9 LYS NZ :NH3+ -117:sc= 0 (180deg=-0.879) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot -26:sc= 0.198 USER MOD Single : A 19 LYS NZ :NH3+ 176:sc= -1.64 (180deg=-1.67) USER MOD Single : A 20 THR OG1 : rot 81:sc= 1.26 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -4.61! C(o=-4.6!,f=-7.2!) USER MOD Single : A 32 SER OG : rot -72:sc= 0.904 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 87:sc= -0.992 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 31:sc= -0.801 USER MOD Single : A 47 ASN : amide:sc= -1.35 K(o=-1.4,f=-0.81) USER MOD Single : A 57 GLN : amide:sc= -1.17 K(o=-1.2,f=-5.5!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 62 ASN : amide:sc= -0.095 K(o=-0.095,f=-0.66) USER MOD Single : A 65 GLN : amide:sc= -1.11 K(o=-1.1,f=-3.5!) USER MOD Single : A 66 ASN : amide:sc= -1.64 X(o=-1.6,f=-2!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 75:sc= 1.11 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -3.43! C(o=-3.4!,f=-4.8!) USER MOD Single : A 80 CYS SG : rot -150:sc= -0.94 USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 86 THR OG1 : rot -71:sc= 0.0438 USER MOD Single : A 89 MET CE :methyl 159:sc= -3.66! (180deg=-5.17!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 110:sc= -0.666 USER MOD Single : A 102 THR OG1 : rot 73:sc= 1.16 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc=-0.00962 K(o=-0.0096,f=-1.4) USER MOD Single : A 108 TYR OH : rot 180:sc= -0.0111 USER MOD Single : A 110 CYS SG : rot 63:sc= 0.0122 USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 114 LYS NZ :NH3+ -142:sc= -3.03! (180deg=-6.23!) USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 -11.515 -9.406 2.563 1.00 0.00 N ATOM 67 CA ILE A 8 -11.028 -8.167 1.969 1.00 0.00 C ATOM 68 C ILE A 8 -9.522 -8.224 1.735 1.00 0.00 C ATOM 69 O ILE A 8 -8.987 -7.511 0.886 1.00 0.00 O ATOM 70 CB ILE A 8 -11.352 -6.951 2.858 1.00 0.00 C ATOM 71 CG1 ILE A 8 -12.790 -7.037 3.373 1.00 0.00 C ATOM 72 CG2 ILE A 8 -11.137 -5.658 2.086 1.00 0.00 C ATOM 73 CD1 ILE A 8 -13.801 -7.350 2.292 1.00 0.00 C ATOM 0 HA ILE A 8 -11.538 -8.054 1.012 1.00 0.00 H new ATOM 0 HB ILE A 8 -10.678 -6.956 3.715 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -12.846 -7.805 4.145 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.056 -6.091 3.845 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.370 -4.808 2.728 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.098 -5.595 1.764 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.789 -5.643 1.213 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.799 -7.396 2.729 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.774 -6.570 1.531 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.560 -8.310 1.836 1.00 0.00 H new ATOM 85 N LYS A 9 -8.843 -9.078 2.493 1.00 0.00 N ATOM 86 CA LYS A 9 -7.399 -9.233 2.367 1.00 0.00 C ATOM 87 C LYS A 9 -7.022 -9.704 0.966 1.00 0.00 C ATOM 88 O LYS A 9 -5.945 -9.385 0.464 1.00 0.00 O ATOM 89 CB LYS A 9 -6.879 -10.227 3.408 1.00 0.00 C ATOM 90 CG LYS A 9 -5.429 -9.996 3.799 1.00 0.00 C ATOM 91 CD LYS A 9 -4.901 -11.121 4.673 1.00 0.00 C ATOM 92 CE LYS A 9 -4.336 -12.258 3.837 1.00 0.00 C ATOM 93 NZ LYS A 9 -2.913 -12.021 3.468 1.00 0.00 N ATOM 0 H LYS A 9 -9.270 -9.674 3.202 1.00 0.00 H new ATOM 0 HA LYS A 9 -6.938 -8.260 2.540 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.502 -10.164 4.301 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.984 -11.239 3.016 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.817 -9.915 2.900 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.341 -9.049 4.331 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.126 -10.735 5.336 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.704 -11.498 5.307 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.416 -13.192 4.393 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.932 -12.374 2.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.831 -11.945 2.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.583 -11.138 3.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.330 -12.814 3.804 1.00 0.00 H new ATOM 107 N GLN A 10 -7.916 -10.464 0.342 1.00 0.00 N ATOM 108 CA GLN A 10 -7.677 -10.978 -1.001 1.00 0.00 C ATOM 109 C GLN A 10 -7.962 -9.909 -2.052 1.00 0.00 C ATOM 110 O GLN A 10 -7.082 -9.537 -2.827 1.00 0.00 O ATOM 111 CB GLN A 10 -8.544 -12.210 -1.261 1.00 0.00 C ATOM 112 CG GLN A 10 -7.859 -13.521 -0.913 1.00 0.00 C ATOM 113 CD GLN A 10 -6.965 -14.027 -2.028 1.00 0.00 C ATOM 114 OE1 GLN A 10 -7.417 -14.732 -2.931 1.00 0.00 O ATOM 115 NE2 GLN A 10 -5.688 -13.667 -1.972 1.00 0.00 N ATOM 0 H GLN A 10 -8.812 -10.737 0.745 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.627 -11.261 -1.072 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.464 -12.125 -0.682 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -8.830 -12.227 -2.313 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.265 -13.387 -0.009 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -8.615 -14.273 -0.689 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.356 -13.082 -1.205 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.039 -13.976 -2.696 1.00 0.00 H new ATOM 124 N MET A 11 -9.198 -9.421 -2.071 1.00 0.00 N ATOM 125 CA MET A 11 -9.599 -8.395 -3.027 1.00 0.00 C ATOM 126 C MET A 11 -8.538 -7.303 -3.129 1.00 0.00 C ATOM 127 O MET A 11 -8.286 -6.768 -4.209 1.00 0.00 O ATOM 128 CB MET A 11 -10.940 -7.782 -2.617 1.00 0.00 C ATOM 129 CG MET A 11 -10.803 -6.587 -1.688 1.00 0.00 C ATOM 130 SD MET A 11 -10.527 -5.043 -2.579 1.00 0.00 S ATOM 131 CE MET A 11 -12.171 -4.335 -2.548 1.00 0.00 C ATOM 0 H MET A 11 -9.939 -9.719 -1.436 1.00 0.00 H new ATOM 0 HA MET A 11 -9.706 -8.866 -4.004 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.479 -7.475 -3.513 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.545 -8.545 -2.127 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.705 -6.497 -1.083 1.00 0.00 H new ATOM 0 HG3 MET A 11 -9.974 -6.759 -1.001 1.00 0.00 H new ATOM 0 HE1 MET A 11 -12.163 -3.374 -3.062 1.00 0.00 H new ATOM 0 HE2 MET A 11 -12.867 -5.008 -3.049 1.00 0.00 H new ATOM 0 HE3 MET A 11 -12.486 -4.191 -1.514 1.00 0.00 H new ATOM 141 N LEU A 12 -7.921 -6.977 -1.999 1.00 0.00 N ATOM 142 CA LEU A 12 -6.887 -5.948 -1.961 1.00 0.00 C ATOM 143 C LEU A 12 -5.671 -6.368 -2.782 1.00 0.00 C ATOM 144 O LEU A 12 -5.336 -5.733 -3.783 1.00 0.00 O ATOM 145 CB LEU A 12 -6.469 -5.670 -0.516 1.00 0.00 C ATOM 146 CG LEU A 12 -7.500 -4.949 0.353 1.00 0.00 C ATOM 147 CD1 LEU A 12 -7.138 -5.075 1.825 1.00 0.00 C ATOM 148 CD2 LEU A 12 -7.607 -3.486 -0.048 1.00 0.00 C ATOM 0 H LEU A 12 -8.118 -7.410 -1.097 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.299 -5.037 -2.395 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.223 -6.620 -0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.556 -5.075 -0.531 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.471 -5.419 0.197 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.883 -4.556 2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.114 -6.128 2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.158 -4.631 1.998 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.345 -2.989 0.581 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.638 -3.002 0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.914 -3.416 -1.092 1.00 0.00 H new ATOM 160 N LEU A 13 -5.017 -7.441 -2.354 1.00 0.00 N ATOM 161 CA LEU A 13 -3.839 -7.948 -3.050 1.00 0.00 C ATOM 162 C LEU A 13 -4.029 -7.877 -4.562 1.00 0.00 C ATOM 163 O LEU A 13 -3.188 -7.333 -5.278 1.00 0.00 O ATOM 164 CB LEU A 13 -3.553 -9.390 -2.627 1.00 0.00 C ATOM 165 CG LEU A 13 -2.160 -9.924 -2.963 1.00 0.00 C ATOM 166 CD1 LEU A 13 -1.154 -9.492 -1.908 1.00 0.00 C ATOM 167 CD2 LEU A 13 -2.187 -11.440 -3.088 1.00 0.00 C ATOM 0 H LEU A 13 -5.282 -7.978 -1.528 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.989 -7.322 -2.779 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.700 -9.467 -1.550 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.292 -10.039 -3.097 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.852 -9.505 -3.921 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.169 -9.881 -2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.115 -8.403 -1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.457 -9.881 -0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.188 -11.803 -3.327 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.516 -11.877 -2.145 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.877 -11.727 -3.881 1.00 0.00 H new ATOM 179 N ASP A 14 -5.139 -8.428 -5.040 1.00 0.00 N ATOM 180 CA ASP A 14 -5.441 -8.425 -6.467 1.00 0.00 C ATOM 181 C ASP A 14 -5.414 -7.006 -7.025 1.00 0.00 C ATOM 182 O ASP A 14 -4.887 -6.765 -8.111 1.00 0.00 O ATOM 183 CB ASP A 14 -6.808 -9.061 -6.722 1.00 0.00 C ATOM 184 CG ASP A 14 -6.911 -9.679 -8.102 1.00 0.00 C ATOM 185 OD1 ASP A 14 -6.990 -8.918 -9.090 1.00 0.00 O ATOM 186 OD2 ASP A 14 -6.911 -10.924 -8.195 1.00 0.00 O ATOM 0 H ASP A 14 -5.845 -8.882 -4.461 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.676 -9.011 -6.976 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.995 -9.827 -5.969 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.584 -8.305 -6.607 1.00 0.00 H new ATOM 191 N TRP A 15 -5.985 -6.070 -6.276 1.00 0.00 N ATOM 192 CA TRP A 15 -6.027 -4.674 -6.696 1.00 0.00 C ATOM 193 C TRP A 15 -4.630 -4.064 -6.699 1.00 0.00 C ATOM 194 O TRP A 15 -4.175 -3.538 -7.716 1.00 0.00 O ATOM 195 CB TRP A 15 -6.947 -3.870 -5.775 1.00 0.00 C ATOM 196 CG TRP A 15 -6.891 -2.393 -6.023 1.00 0.00 C ATOM 197 CD1 TRP A 15 -7.563 -1.698 -6.987 1.00 0.00 C ATOM 198 CD2 TRP A 15 -6.120 -1.431 -5.295 1.00 0.00 C ATOM 199 NE1 TRP A 15 -7.256 -0.361 -6.903 1.00 0.00 N ATOM 200 CE2 TRP A 15 -6.374 -0.171 -5.873 1.00 0.00 C ATOM 201 CE3 TRP A 15 -5.242 -1.510 -4.211 1.00 0.00 C ATOM 202 CZ2 TRP A 15 -5.779 0.997 -5.402 1.00 0.00 C ATOM 203 CZ3 TRP A 15 -4.652 -0.350 -3.745 1.00 0.00 C ATOM 204 CH2 TRP A 15 -4.923 0.889 -4.339 1.00 0.00 C ATOM 0 H TRP A 15 -6.426 -6.252 -5.374 1.00 0.00 H new ATOM 0 HA TRP A 15 -6.420 -4.638 -7.712 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -7.973 -4.215 -5.907 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -6.675 -4.068 -4.738 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -8.237 -2.135 -7.709 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.625 0.371 -7.510 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -5.028 -2.461 -3.745 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -5.986 1.954 -5.859 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -3.970 -0.400 -2.909 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.447 1.777 -3.951 1.00 0.00 H new ATOM 215 N CYS A 16 -3.955 -4.137 -5.558 1.00 0.00 N ATOM 216 CA CYS A 16 -2.609 -3.591 -5.429 1.00 0.00 C ATOM 217 C CYS A 16 -1.748 -3.979 -6.627 1.00 0.00 C ATOM 218 O CYS A 16 -1.005 -3.156 -7.162 1.00 0.00 O ATOM 219 CB CYS A 16 -1.957 -4.084 -4.136 1.00 0.00 C ATOM 220 SG CYS A 16 -2.849 -3.616 -2.635 1.00 0.00 S ATOM 0 H CYS A 16 -4.318 -4.569 -4.708 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.686 -2.504 -5.396 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.876 -5.170 -4.174 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.942 -3.690 -4.080 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.530 -2.531 -2.855 1.00 0.00 H new ATOM 226 N ARG A 17 -1.853 -5.237 -7.041 1.00 0.00 N ATOM 227 CA ARG A 17 -1.081 -5.735 -8.174 1.00 0.00 C ATOM 228 C ARG A 17 -1.447 -4.985 -9.452 1.00 0.00 C ATOM 229 O ARG A 17 -0.573 -4.498 -10.169 1.00 0.00 O ATOM 230 CB ARG A 17 -1.322 -7.234 -8.363 1.00 0.00 C ATOM 231 CG ARG A 17 -0.482 -8.106 -7.444 1.00 0.00 C ATOM 232 CD ARG A 17 -1.074 -9.500 -7.304 1.00 0.00 C ATOM 233 NE ARG A 17 -0.594 -10.405 -8.345 1.00 0.00 N ATOM 234 CZ ARG A 17 -1.113 -10.460 -9.567 1.00 0.00 C ATOM 235 NH1 ARG A 17 -2.121 -9.666 -9.900 1.00 0.00 N ATOM 236 NH2 ARG A 17 -0.621 -11.310 -10.460 1.00 0.00 N ATOM 0 H ARG A 17 -2.464 -5.930 -6.610 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.025 -5.567 -7.964 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.377 -7.449 -8.190 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.108 -7.500 -9.398 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.532 -8.178 -7.836 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.412 -7.639 -6.462 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.819 -9.906 -6.325 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.161 -9.439 -7.350 1.00 0.00 H new ATOM 0 HE ARG A 17 0.182 -11.029 -8.122 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.501 -9.010 -9.217 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.517 -9.711 -10.839 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.156 -11.921 -10.208 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.020 -11.352 -11.398 1.00 0.00 H new ATOM 250 N ALA A 18 -2.743 -4.898 -9.731 1.00 0.00 N ATOM 251 CA ALA A 18 -3.224 -4.208 -10.921 1.00 0.00 C ATOM 252 C ALA A 18 -2.565 -2.840 -11.065 1.00 0.00 C ATOM 253 O ALA A 18 -2.062 -2.491 -12.133 1.00 0.00 O ATOM 254 CB ALA A 18 -4.738 -4.064 -10.872 1.00 0.00 C ATOM 0 H ALA A 18 -3.479 -5.297 -9.149 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.955 -4.806 -11.792 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.083 -3.547 -11.767 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.196 -5.052 -10.824 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.021 -3.490 -9.990 1.00 0.00 H new ATOM 260 N LYS A 19 -2.573 -2.067 -9.984 1.00 0.00 N ATOM 261 CA LYS A 19 -1.976 -0.737 -9.989 1.00 0.00 C ATOM 262 C LYS A 19 -0.454 -0.824 -10.036 1.00 0.00 C ATOM 263 O LYS A 19 0.199 -0.083 -10.771 1.00 0.00 O ATOM 264 CB LYS A 19 -2.415 0.046 -8.750 1.00 0.00 C ATOM 265 CG LYS A 19 -3.923 0.162 -8.607 1.00 0.00 C ATOM 266 CD LYS A 19 -4.529 0.988 -9.729 1.00 0.00 C ATOM 267 CE LYS A 19 -6.042 0.840 -9.776 1.00 0.00 C ATOM 268 NZ LYS A 19 -6.724 1.858 -8.929 1.00 0.00 N ATOM 0 H LYS A 19 -2.987 -2.339 -9.092 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.320 -0.215 -10.882 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.010 -0.439 -7.862 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.984 1.046 -8.791 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.367 -0.834 -8.607 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.164 0.619 -7.647 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.269 2.038 -9.591 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.102 0.677 -10.683 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.385 0.936 -10.806 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.320 -0.159 -9.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.754 1.768 -9.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.469 1.708 -7.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.426 2.810 -9.223 1.00 0.00 H new ATOM 282 N THR A 20 0.107 -1.735 -9.246 1.00 0.00 N ATOM 283 CA THR A 20 1.551 -1.920 -9.197 1.00 0.00 C ATOM 284 C THR A 20 2.028 -2.833 -10.321 1.00 0.00 C ATOM 285 O THR A 20 2.978 -3.598 -10.151 1.00 0.00 O ATOM 286 CB THR A 20 1.997 -2.510 -7.846 1.00 0.00 C ATOM 287 OG1 THR A 20 1.309 -1.856 -6.775 1.00 0.00 O ATOM 288 CG2 THR A 20 3.499 -2.359 -7.659 1.00 0.00 C ATOM 0 H THR A 20 -0.418 -2.356 -8.631 1.00 0.00 H new ATOM 0 HA THR A 20 1.999 -0.934 -9.320 1.00 0.00 H new ATOM 0 HB THR A 20 1.752 -3.572 -7.839 1.00 0.00 H new ATOM 0 HG1 THR A 20 0.416 -2.247 -6.673 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.790 -2.783 -6.698 1.00 0.00 H new ATOM 0 HG22 THR A 20 4.020 -2.884 -8.460 1.00 0.00 H new ATOM 0 HG23 THR A 20 3.764 -1.302 -7.685 1.00 0.00 H new ATOM 296 N ARG A 21 1.362 -2.749 -11.468 1.00 0.00 N ATOM 297 CA ARG A 21 1.718 -3.570 -12.619 1.00 0.00 C ATOM 298 C ARG A 21 2.899 -2.966 -13.373 1.00 0.00 C ATOM 299 O ARG A 21 3.049 -1.747 -13.439 1.00 0.00 O ATOM 300 CB ARG A 21 0.519 -3.713 -13.559 1.00 0.00 C ATOM 301 CG ARG A 21 -0.412 -4.856 -13.189 1.00 0.00 C ATOM 302 CD ARG A 21 -1.247 -5.302 -14.379 1.00 0.00 C ATOM 303 NE ARG A 21 -0.507 -6.200 -15.262 1.00 0.00 N ATOM 304 CZ ARG A 21 -0.952 -6.595 -16.449 1.00 0.00 C ATOM 305 NH1 ARG A 21 -2.128 -6.173 -16.894 1.00 0.00 N ATOM 306 NH2 ARG A 21 -0.221 -7.413 -17.195 1.00 0.00 N ATOM 0 H ARG A 21 0.574 -2.121 -11.625 1.00 0.00 H new ATOM 0 HA ARG A 21 2.007 -4.556 -12.256 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.046 -2.781 -13.558 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.881 -3.865 -14.576 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.173 -5.698 -12.818 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.070 -4.543 -12.378 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.146 -5.804 -14.023 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.572 -4.427 -14.942 1.00 0.00 H new ATOM 0 HE ARG A 21 0.402 -6.542 -14.950 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.693 -5.543 -16.324 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.467 -6.478 -17.806 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.684 -7.739 -16.857 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.564 -7.716 -18.107 1.00 0.00 H new ATOM 320 N GLY A 22 3.737 -3.829 -13.940 1.00 0.00 N ATOM 321 CA GLY A 22 4.894 -3.363 -14.680 1.00 0.00 C ATOM 322 C GLY A 22 6.094 -3.117 -13.787 1.00 0.00 C ATOM 323 O GLY A 22 7.229 -3.408 -14.165 1.00 0.00 O ATOM 0 H GLY A 22 3.634 -4.843 -13.900 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.156 -4.099 -15.440 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.640 -2.441 -15.203 1.00 0.00 H new ATOM 327 N TYR A 23 5.843 -2.578 -12.598 1.00 0.00 N ATOM 328 CA TYR A 23 6.912 -2.289 -11.650 1.00 0.00 C ATOM 329 C TYR A 23 7.856 -3.480 -11.513 1.00 0.00 C ATOM 330 O TYR A 23 7.464 -4.544 -11.035 1.00 0.00 O ATOM 331 CB TYR A 23 6.326 -1.928 -10.284 1.00 0.00 C ATOM 332 CG TYR A 23 5.723 -0.542 -10.230 1.00 0.00 C ATOM 333 CD1 TYR A 23 6.516 0.573 -9.992 1.00 0.00 C ATOM 334 CD2 TYR A 23 4.360 -0.349 -10.419 1.00 0.00 C ATOM 335 CE1 TYR A 23 5.970 1.841 -9.942 1.00 0.00 C ATOM 336 CE2 TYR A 23 3.805 0.915 -10.372 1.00 0.00 C ATOM 337 CZ TYR A 23 4.614 2.006 -10.132 1.00 0.00 C ATOM 338 OH TYR A 23 4.065 3.268 -10.084 1.00 0.00 O ATOM 0 H TYR A 23 4.909 -2.333 -12.269 1.00 0.00 H new ATOM 0 HA TYR A 23 7.481 -1.440 -12.030 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.561 -2.658 -10.022 1.00 0.00 H new ATOM 0 HB3 TYR A 23 7.110 -2.004 -9.530 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.578 0.447 -9.843 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.724 -1.202 -10.606 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.601 2.697 -9.755 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.744 1.048 -10.522 1.00 0.00 H new ATOM 0 HH TYR A 23 4.756 3.933 -10.286 1.00 0.00 H new ATOM 348 N GLU A 24 9.102 -3.291 -11.936 1.00 0.00 N ATOM 349 CA GLU A 24 10.102 -4.349 -11.860 1.00 0.00 C ATOM 350 C GLU A 24 10.543 -4.580 -10.418 1.00 0.00 C ATOM 351 O GLU A 24 10.255 -3.773 -9.532 1.00 0.00 O ATOM 352 CB GLU A 24 11.314 -3.998 -12.725 1.00 0.00 C ATOM 353 CG GLU A 24 12.198 -5.192 -13.048 1.00 0.00 C ATOM 354 CD GLU A 24 13.117 -4.935 -14.226 1.00 0.00 C ATOM 355 OE1 GLU A 24 13.933 -3.993 -14.149 1.00 0.00 O ATOM 356 OE2 GLU A 24 13.021 -5.678 -15.226 1.00 0.00 O ATOM 0 H GLU A 24 9.443 -2.416 -12.334 1.00 0.00 H new ATOM 0 HA GLU A 24 9.650 -5.268 -12.234 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.968 -3.551 -13.657 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.910 -3.244 -12.211 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.797 -5.443 -12.173 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.570 -6.057 -13.264 1.00 0.00 H new ATOM 363 N HIS A 25 11.241 -5.687 -10.188 1.00 0.00 N ATOM 364 CA HIS A 25 11.722 -6.025 -8.853 1.00 0.00 C ATOM 365 C HIS A 25 10.613 -5.858 -7.818 1.00 0.00 C ATOM 366 O HIS A 25 10.881 -5.641 -6.636 1.00 0.00 O ATOM 367 CB HIS A 25 12.918 -5.148 -8.482 1.00 0.00 C ATOM 368 CG HIS A 25 12.585 -3.692 -8.382 1.00 0.00 C ATOM 369 ND1 HIS A 25 11.631 -3.195 -7.519 1.00 0.00 N ATOM 370 CD2 HIS A 25 13.087 -2.621 -9.041 1.00 0.00 C ATOM 371 CE1 HIS A 25 11.559 -1.883 -7.654 1.00 0.00 C ATOM 372 NE2 HIS A 25 12.433 -1.510 -8.571 1.00 0.00 N ATOM 0 H HIS A 25 11.486 -6.366 -10.909 1.00 0.00 H new ATOM 0 HA HIS A 25 12.035 -7.069 -8.859 1.00 0.00 H new ATOM 0 HB2 HIS A 25 13.324 -5.486 -7.528 1.00 0.00 H new ATOM 0 HB3 HIS A 25 13.702 -5.283 -9.227 1.00 0.00 H new ATOM 0 HD1 HIS A 25 11.069 -3.753 -6.877 1.00 0.00 H new ATOM 0 HD2 HIS A 25 13.859 -2.638 -9.796 1.00 0.00 H new ATOM 0 HE1 HIS A 25 10.898 -1.227 -7.107 1.00 0.00 H new ATOM 381 N VAL A 26 9.368 -5.961 -8.271 1.00 0.00 N ATOM 382 CA VAL A 26 8.219 -5.821 -7.384 1.00 0.00 C ATOM 383 C VAL A 26 7.222 -6.956 -7.594 1.00 0.00 C ATOM 384 O VAL A 26 6.870 -7.285 -8.727 1.00 0.00 O ATOM 385 CB VAL A 26 7.501 -4.476 -7.602 1.00 0.00 C ATOM 386 CG1 VAL A 26 6.129 -4.490 -6.946 1.00 0.00 C ATOM 387 CG2 VAL A 26 8.346 -3.330 -7.066 1.00 0.00 C ATOM 0 H VAL A 26 9.129 -6.141 -9.246 1.00 0.00 H new ATOM 0 HA VAL A 26 8.601 -5.859 -6.364 1.00 0.00 H new ATOM 0 HB VAL A 26 7.363 -4.326 -8.673 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.637 -3.531 -7.111 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.526 -5.287 -7.381 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.239 -4.662 -5.875 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.824 -2.387 -7.228 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.517 -3.472 -5.999 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.303 -3.309 -7.587 1.00 0.00 H new ATOM 397 N ASP A 27 6.771 -7.550 -6.495 1.00 0.00 N ATOM 398 CA ASP A 27 5.812 -8.648 -6.558 1.00 0.00 C ATOM 399 C ASP A 27 5.033 -8.765 -5.252 1.00 0.00 C ATOM 400 O ASP A 27 5.575 -9.189 -4.231 1.00 0.00 O ATOM 401 CB ASP A 27 6.531 -9.964 -6.857 1.00 0.00 C ATOM 402 CG ASP A 27 7.828 -10.104 -6.084 1.00 0.00 C ATOM 403 OD1 ASP A 27 8.878 -9.675 -6.605 1.00 0.00 O ATOM 404 OD2 ASP A 27 7.792 -10.644 -4.958 1.00 0.00 O ATOM 0 H ASP A 27 7.053 -7.290 -5.550 1.00 0.00 H new ATOM 0 HA ASP A 27 5.107 -8.437 -7.362 1.00 0.00 H new ATOM 0 HB2 ASP A 27 5.873 -10.798 -6.611 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.739 -10.026 -7.925 1.00 0.00 H new ATOM 409 N ILE A 28 3.761 -8.385 -5.292 1.00 0.00 N ATOM 410 CA ILE A 28 2.908 -8.447 -4.111 1.00 0.00 C ATOM 411 C ILE A 28 2.182 -9.786 -4.028 1.00 0.00 C ATOM 412 O ILE A 28 1.121 -9.965 -4.625 1.00 0.00 O ATOM 413 CB ILE A 28 1.868 -7.311 -4.107 1.00 0.00 C ATOM 414 CG1 ILE A 28 2.566 -5.952 -4.185 1.00 0.00 C ATOM 415 CG2 ILE A 28 0.997 -7.395 -2.863 1.00 0.00 C ATOM 416 CD1 ILE A 28 1.621 -4.801 -4.449 1.00 0.00 C ATOM 0 H ILE A 28 3.298 -8.031 -6.129 1.00 0.00 H new ATOM 0 HA ILE A 28 3.560 -8.335 -3.244 1.00 0.00 H new ATOM 0 HB ILE A 28 1.228 -7.420 -4.982 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.095 -5.770 -3.249 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.317 -5.983 -4.974 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.267 -6.586 -2.875 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.477 -8.353 -2.847 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.622 -7.307 -1.974 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.185 -3.869 -4.491 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.111 -4.960 -5.399 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.885 -4.743 -3.647 1.00 0.00 H new ATOM 428 N GLN A 29 2.760 -10.721 -3.282 1.00 0.00 N ATOM 429 CA GLN A 29 2.167 -12.043 -3.120 1.00 0.00 C ATOM 430 C GLN A 29 1.450 -12.157 -1.779 1.00 0.00 C ATOM 431 O GLN A 29 0.390 -12.774 -1.681 1.00 0.00 O ATOM 432 CB GLN A 29 3.243 -13.125 -3.230 1.00 0.00 C ATOM 433 CG GLN A 29 2.681 -14.526 -3.414 1.00 0.00 C ATOM 434 CD GLN A 29 3.621 -15.436 -4.180 1.00 0.00 C ATOM 435 OE1 GLN A 29 4.545 -16.015 -3.608 1.00 0.00 O ATOM 436 NE2 GLN A 29 3.389 -15.567 -5.481 1.00 0.00 N ATOM 0 H GLN A 29 3.638 -10.588 -2.780 1.00 0.00 H new ATOM 0 HA GLN A 29 1.436 -12.186 -3.916 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.897 -12.891 -4.070 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.860 -13.105 -2.331 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.476 -14.962 -2.436 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.730 -14.465 -3.942 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.611 -15.068 -5.913 1.00 0.00 H new ATOM 0 HE22 GLN A 29 3.988 -16.167 -6.048 1.00 0.00 H new ATOM 445 N ASN A 30 2.036 -11.559 -0.747 1.00 0.00 N ATOM 446 CA ASN A 30 1.453 -11.594 0.589 1.00 0.00 C ATOM 447 C ASN A 30 1.823 -10.341 1.378 1.00 0.00 C ATOM 448 O ASN A 30 2.819 -9.679 1.081 1.00 0.00 O ATOM 449 CB ASN A 30 1.924 -12.840 1.341 1.00 0.00 C ATOM 450 CG ASN A 30 3.354 -12.716 1.829 1.00 0.00 C ATOM 451 OD1 ASN A 30 3.640 -12.921 3.009 1.00 0.00 O ATOM 452 ND2 ASN A 30 4.262 -12.377 0.920 1.00 0.00 N ATOM 0 H ASN A 30 2.914 -11.044 -0.810 1.00 0.00 H new ATOM 0 HA ASN A 30 0.369 -11.629 0.484 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.267 -13.017 2.192 1.00 0.00 H new ATOM 0 HB3 ASN A 30 1.840 -13.708 0.688 1.00 0.00 H new ATOM 0 HD21 ASN A 30 5.241 -12.277 1.189 1.00 0.00 H new ATOM 0 HD22 ASN A 30 3.980 -12.217 -0.047 1.00 0.00 H new ATOM 459 N PHE A 31 1.016 -10.021 2.383 1.00 0.00 N ATOM 460 CA PHE A 31 1.258 -8.848 3.215 1.00 0.00 C ATOM 461 C PHE A 31 2.090 -9.212 4.441 1.00 0.00 C ATOM 462 O PHE A 31 1.752 -8.844 5.566 1.00 0.00 O ATOM 463 CB PHE A 31 -0.069 -8.224 3.652 1.00 0.00 C ATOM 464 CG PHE A 31 -0.990 -7.910 2.508 1.00 0.00 C ATOM 465 CD1 PHE A 31 -1.899 -8.853 2.055 1.00 0.00 C ATOM 466 CD2 PHE A 31 -0.946 -6.673 1.885 1.00 0.00 C ATOM 467 CE1 PHE A 31 -2.747 -8.567 1.001 1.00 0.00 C ATOM 468 CE2 PHE A 31 -1.792 -6.381 0.831 1.00 0.00 C ATOM 469 CZ PHE A 31 -2.694 -7.329 0.390 1.00 0.00 C ATOM 0 H PHE A 31 0.188 -10.558 2.642 1.00 0.00 H new ATOM 0 HA PHE A 31 1.815 -8.122 2.623 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.573 -8.905 4.337 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.135 -7.308 4.206 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.945 -9.822 2.530 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.243 -5.928 2.227 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.450 -9.311 0.656 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.747 -5.413 0.354 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.357 -7.103 -0.432 1.00 0.00 H new ATOM 479 N SER A 32 3.180 -9.939 4.214 1.00 0.00 N ATOM 480 CA SER A 32 4.059 -10.357 5.300 1.00 0.00 C ATOM 481 C SER A 32 5.482 -9.857 5.071 1.00 0.00 C ATOM 482 O SER A 32 5.969 -8.986 5.791 1.00 0.00 O ATOM 483 CB SER A 32 4.056 -11.882 5.428 1.00 0.00 C ATOM 484 OG SER A 32 4.341 -12.283 6.757 1.00 0.00 O ATOM 0 H SER A 32 3.475 -10.250 3.289 1.00 0.00 H new ATOM 0 HA SER A 32 3.684 -9.921 6.226 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.084 -12.273 5.127 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.795 -12.308 4.750 1.00 0.00 H new ATOM 0 HG SER A 32 5.289 -12.124 6.950 1.00 0.00 H new ATOM 490 N SER A 33 6.143 -10.415 4.062 1.00 0.00 N ATOM 491 CA SER A 33 7.512 -10.029 3.738 1.00 0.00 C ATOM 492 C SER A 33 7.627 -9.614 2.275 1.00 0.00 C ATOM 493 O SER A 33 8.704 -9.684 1.682 1.00 0.00 O ATOM 494 CB SER A 33 8.472 -11.184 4.030 1.00 0.00 C ATOM 495 OG SER A 33 8.148 -11.819 5.255 1.00 0.00 O ATOM 0 H SER A 33 5.753 -11.136 3.455 1.00 0.00 H new ATOM 0 HA SER A 33 7.781 -9.176 4.361 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.430 -11.910 3.218 1.00 0.00 H new ATOM 0 HB3 SER A 33 9.495 -10.810 4.070 1.00 0.00 H new ATOM 0 HG SER A 33 8.775 -12.554 5.418 1.00 0.00 H new ATOM 501 N SER A 34 6.511 -9.181 1.699 1.00 0.00 N ATOM 502 CA SER A 34 6.485 -8.757 0.304 1.00 0.00 C ATOM 503 C SER A 34 6.827 -7.275 0.179 1.00 0.00 C ATOM 504 O SER A 34 7.458 -6.852 -0.789 1.00 0.00 O ATOM 505 CB SER A 34 5.109 -9.027 -0.308 1.00 0.00 C ATOM 506 OG SER A 34 5.125 -8.826 -1.710 1.00 0.00 O ATOM 0 H SER A 34 5.612 -9.114 2.177 1.00 0.00 H new ATOM 0 HA SER A 34 7.236 -9.332 -0.238 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.804 -10.050 -0.088 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.369 -8.369 0.148 1.00 0.00 H new ATOM 0 HG SER A 34 5.408 -9.652 -2.156 1.00 0.00 H new ATOM 512 N TRP A 35 6.406 -6.493 1.166 1.00 0.00 N ATOM 513 CA TRP A 35 6.667 -5.058 1.168 1.00 0.00 C ATOM 514 C TRP A 35 7.929 -4.736 1.961 1.00 0.00 C ATOM 515 O TRP A 35 8.581 -3.719 1.721 1.00 0.00 O ATOM 516 CB TRP A 35 5.474 -4.302 1.756 1.00 0.00 C ATOM 517 CG TRP A 35 4.151 -4.816 1.276 1.00 0.00 C ATOM 518 CD1 TRP A 35 3.535 -5.975 1.655 1.00 0.00 C ATOM 519 CD2 TRP A 35 3.282 -4.190 0.326 1.00 0.00 C ATOM 520 NE1 TRP A 35 2.335 -6.106 0.998 1.00 0.00 N ATOM 521 CE2 TRP A 35 2.156 -5.024 0.178 1.00 0.00 C ATOM 522 CE3 TRP A 35 3.344 -3.005 -0.413 1.00 0.00 C ATOM 523 CZ2 TRP A 35 1.105 -4.710 -0.679 1.00 0.00 C ATOM 524 CZ3 TRP A 35 2.300 -2.695 -1.263 1.00 0.00 C ATOM 525 CH2 TRP A 35 1.192 -3.544 -1.390 1.00 0.00 C ATOM 0 H TRP A 35 5.883 -6.828 1.975 1.00 0.00 H new ATOM 0 HA TRP A 35 6.817 -4.740 0.136 1.00 0.00 H new ATOM 0 HB2 TRP A 35 5.510 -4.370 2.843 1.00 0.00 H new ATOM 0 HB3 TRP A 35 5.560 -3.246 1.500 1.00 0.00 H new ATOM 0 HD1 TRP A 35 3.933 -6.684 2.366 1.00 0.00 H new ATOM 0 HE1 TRP A 35 1.683 -6.883 1.104 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.193 -2.344 -0.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.251 -5.364 -0.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.338 -1.783 -1.840 1.00 0.00 H new ATOM 0 HH2 TRP A 35 0.391 -3.273 -2.062 1.00 0.00 H new ATOM 536 N SER A 36 8.269 -5.607 2.905 1.00 0.00 N ATOM 537 CA SER A 36 9.452 -5.412 3.735 1.00 0.00 C ATOM 538 C SER A 36 10.576 -4.763 2.935 1.00 0.00 C ATOM 539 O SER A 36 11.367 -3.987 3.471 1.00 0.00 O ATOM 540 CB SER A 36 9.925 -6.750 4.308 1.00 0.00 C ATOM 541 OG SER A 36 10.277 -7.652 3.273 1.00 0.00 O ATOM 0 H SER A 36 7.742 -6.455 3.114 1.00 0.00 H new ATOM 0 HA SER A 36 9.184 -4.747 4.556 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.783 -6.587 4.960 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.136 -7.186 4.922 1.00 0.00 H new ATOM 0 HG SER A 36 10.577 -8.499 3.665 1.00 0.00 H new ATOM 547 N ASP A 37 10.641 -5.086 1.648 1.00 0.00 N ATOM 548 CA ASP A 37 11.667 -4.535 0.771 1.00 0.00 C ATOM 549 C ASP A 37 11.653 -3.010 0.811 1.00 0.00 C ATOM 550 O ASP A 37 12.637 -2.379 1.196 1.00 0.00 O ATOM 551 CB ASP A 37 11.459 -5.022 -0.663 1.00 0.00 C ATOM 552 CG ASP A 37 12.694 -4.837 -1.523 1.00 0.00 C ATOM 553 OD1 ASP A 37 13.068 -3.674 -1.781 1.00 0.00 O ATOM 554 OD2 ASP A 37 13.287 -5.856 -1.938 1.00 0.00 O ATOM 0 H ASP A 37 9.994 -5.727 1.189 1.00 0.00 H new ATOM 0 HA ASP A 37 12.638 -4.882 1.126 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.184 -6.077 -0.649 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.625 -4.481 -1.110 1.00 0.00 H new ATOM 559 N GLY A 38 10.530 -2.423 0.407 1.00 0.00 N ATOM 560 CA GLY A 38 10.409 -0.977 0.403 1.00 0.00 C ATOM 561 C GLY A 38 9.758 -0.453 -0.862 1.00 0.00 C ATOM 562 O GLY A 38 8.646 0.072 -0.823 1.00 0.00 O ATOM 0 H GLY A 38 9.702 -2.923 0.083 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.823 -0.662 1.267 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.398 -0.532 0.510 1.00 0.00 H new ATOM 566 N MET A 39 10.453 -0.595 -1.986 1.00 0.00 N ATOM 567 CA MET A 39 9.935 -0.132 -3.268 1.00 0.00 C ATOM 568 C MET A 39 8.450 -0.456 -3.404 1.00 0.00 C ATOM 569 O MET A 39 7.672 0.355 -3.903 1.00 0.00 O ATOM 570 CB MET A 39 10.716 -0.769 -4.418 1.00 0.00 C ATOM 571 CG MET A 39 12.176 -0.350 -4.468 1.00 0.00 C ATOM 572 SD MET A 39 12.403 1.293 -5.176 1.00 0.00 S ATOM 573 CE MET A 39 13.559 0.935 -6.497 1.00 0.00 C ATOM 0 H MET A 39 11.376 -1.027 -2.035 1.00 0.00 H new ATOM 0 HA MET A 39 10.058 0.950 -3.311 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.661 -1.854 -4.326 1.00 0.00 H new ATOM 0 HB3 MET A 39 10.238 -0.504 -5.361 1.00 0.00 H new ATOM 0 HG2 MET A 39 12.590 -0.367 -3.460 1.00 0.00 H new ATOM 0 HG3 MET A 39 12.738 -1.076 -5.056 1.00 0.00 H new ATOM 0 HE1 MET A 39 14.302 1.731 -6.556 1.00 0.00 H new ATOM 0 HE2 MET A 39 14.058 -0.013 -6.297 1.00 0.00 H new ATOM 0 HE3 MET A 39 13.022 0.869 -7.443 1.00 0.00 H new ATOM 583 N ALA A 40 8.066 -1.647 -2.956 1.00 0.00 N ATOM 584 CA ALA A 40 6.675 -2.077 -3.026 1.00 0.00 C ATOM 585 C ALA A 40 5.728 -0.924 -2.715 1.00 0.00 C ATOM 586 O ALA A 40 4.874 -0.572 -3.529 1.00 0.00 O ATOM 587 CB ALA A 40 6.432 -3.235 -2.069 1.00 0.00 C ATOM 0 H ALA A 40 8.699 -2.331 -2.541 1.00 0.00 H new ATOM 0 HA ALA A 40 6.475 -2.413 -4.044 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.389 -3.546 -2.132 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.077 -4.071 -2.339 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.656 -2.918 -1.050 1.00 0.00 H new ATOM 593 N PHE A 41 5.883 -0.339 -1.532 1.00 0.00 N ATOM 594 CA PHE A 41 5.039 0.774 -1.113 1.00 0.00 C ATOM 595 C PHE A 41 5.142 1.935 -2.098 1.00 0.00 C ATOM 596 O PHE A 41 4.132 2.517 -2.496 1.00 0.00 O ATOM 597 CB PHE A 41 5.436 1.243 0.289 1.00 0.00 C ATOM 598 CG PHE A 41 4.741 0.495 1.390 1.00 0.00 C ATOM 599 CD1 PHE A 41 3.359 0.511 1.491 1.00 0.00 C ATOM 600 CD2 PHE A 41 5.470 -0.223 2.325 1.00 0.00 C ATOM 601 CE1 PHE A 41 2.717 -0.177 2.504 1.00 0.00 C ATOM 602 CE2 PHE A 41 4.832 -0.913 3.339 1.00 0.00 C ATOM 603 CZ PHE A 41 3.454 -0.889 3.429 1.00 0.00 C ATOM 0 H PHE A 41 6.585 -0.617 -0.846 1.00 0.00 H new ATOM 0 HA PHE A 41 4.006 0.427 -1.094 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.514 1.132 0.409 1.00 0.00 H new ATOM 0 HB3 PHE A 41 5.212 2.306 0.385 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.777 1.067 0.771 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.548 -0.244 2.261 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.639 -0.157 2.572 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.411 -1.471 4.060 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.954 -1.426 4.221 1.00 0.00 H new ATOM 613 N CYS A 42 6.368 2.267 -2.486 1.00 0.00 N ATOM 614 CA CYS A 42 6.604 3.360 -3.423 1.00 0.00 C ATOM 615 C CYS A 42 5.832 3.140 -4.720 1.00 0.00 C ATOM 616 O CYS A 42 4.950 3.923 -5.070 1.00 0.00 O ATOM 617 CB CYS A 42 8.098 3.491 -3.721 1.00 0.00 C ATOM 618 SG CYS A 42 9.072 4.135 -2.340 1.00 0.00 S ATOM 0 H CYS A 42 7.214 1.795 -2.167 1.00 0.00 H new ATOM 0 HA CYS A 42 6.251 4.283 -2.963 1.00 0.00 H new ATOM 0 HB2 CYS A 42 8.489 2.513 -4.002 1.00 0.00 H new ATOM 0 HB3 CYS A 42 8.230 4.147 -4.582 1.00 0.00 H new ATOM 0 HG CYS A 42 8.530 3.767 -1.217 1.00 0.00 H new ATOM 624 N ALA A 43 6.172 2.069 -5.430 1.00 0.00 N ATOM 625 CA ALA A 43 5.511 1.745 -6.688 1.00 0.00 C ATOM 626 C ALA A 43 4.002 1.934 -6.580 1.00 0.00 C ATOM 627 O ALA A 43 3.385 2.586 -7.424 1.00 0.00 O ATOM 628 CB ALA A 43 5.837 0.319 -7.104 1.00 0.00 C ATOM 0 H ALA A 43 6.901 1.411 -5.155 1.00 0.00 H new ATOM 0 HA ALA A 43 5.883 2.429 -7.451 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.337 0.091 -8.045 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.914 0.214 -7.231 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.494 -0.372 -6.334 1.00 0.00 H new ATOM 634 N LEU A 44 3.411 1.361 -5.537 1.00 0.00 N ATOM 635 CA LEU A 44 1.973 1.466 -5.319 1.00 0.00 C ATOM 636 C LEU A 44 1.528 2.924 -5.316 1.00 0.00 C ATOM 637 O LEU A 44 0.559 3.291 -5.982 1.00 0.00 O ATOM 638 CB LEU A 44 1.588 0.800 -3.997 1.00 0.00 C ATOM 639 CG LEU A 44 0.107 0.863 -3.619 1.00 0.00 C ATOM 640 CD1 LEU A 44 -0.680 -0.201 -4.367 1.00 0.00 C ATOM 641 CD2 LEU A 44 -0.067 0.701 -2.116 1.00 0.00 C ATOM 0 H LEU A 44 3.906 0.819 -4.829 1.00 0.00 H new ATOM 0 HA LEU A 44 1.468 0.953 -6.137 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.887 -0.247 -4.040 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.166 1.264 -3.198 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.281 1.841 -3.906 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.731 -0.141 -4.086 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.582 -0.039 -5.440 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.292 -1.187 -4.112 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.127 0.748 -1.865 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.337 -0.262 -1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.464 1.501 -1.600 1.00 0.00 H new ATOM 653 N VAL A 45 2.243 3.754 -4.562 1.00 0.00 N ATOM 654 CA VAL A 45 1.924 5.174 -4.475 1.00 0.00 C ATOM 655 C VAL A 45 2.171 5.876 -5.805 1.00 0.00 C ATOM 656 O VAL A 45 1.253 6.437 -6.404 1.00 0.00 O ATOM 657 CB VAL A 45 2.752 5.869 -3.378 1.00 0.00 C ATOM 658 CG1 VAL A 45 2.442 7.358 -3.337 1.00 0.00 C ATOM 659 CG2 VAL A 45 2.492 5.224 -2.025 1.00 0.00 C ATOM 0 H VAL A 45 3.047 3.467 -4.003 1.00 0.00 H new ATOM 0 HA VAL A 45 0.866 5.245 -4.222 1.00 0.00 H new ATOM 0 HB VAL A 45 3.809 5.749 -3.614 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.036 7.832 -2.556 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.684 7.807 -4.300 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.383 7.503 -3.125 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.085 5.728 -1.262 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.434 5.311 -1.778 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.770 4.171 -2.064 1.00 0.00 H new ATOM 669 N HIS A 46 3.419 5.841 -6.263 1.00 0.00 N ATOM 670 CA HIS A 46 3.788 6.474 -7.525 1.00 0.00 C ATOM 671 C HIS A 46 2.678 6.311 -8.559 1.00 0.00 C ATOM 672 O HIS A 46 2.367 7.243 -9.300 1.00 0.00 O ATOM 673 CB HIS A 46 5.090 5.874 -8.058 1.00 0.00 C ATOM 674 CG HIS A 46 5.639 6.599 -9.248 1.00 0.00 C ATOM 675 ND1 HIS A 46 5.603 6.082 -10.526 1.00 0.00 N ATOM 676 CD2 HIS A 46 6.238 7.808 -9.350 1.00 0.00 C ATOM 677 CE1 HIS A 46 6.158 6.941 -11.362 1.00 0.00 C ATOM 678 NE2 HIS A 46 6.552 7.997 -10.674 1.00 0.00 N ATOM 0 H HIS A 46 4.191 5.382 -5.780 1.00 0.00 H new ATOM 0 HA HIS A 46 3.935 7.538 -7.341 1.00 0.00 H new ATOM 0 HB2 HIS A 46 5.836 5.880 -7.263 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.918 4.831 -8.325 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.433 8.496 -8.541 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.270 6.803 -12.427 1.00 0.00 H new ATOM 0 HE2 HIS A 46 7.014 8.819 -11.062 1.00 0.00 H new ATOM 687 N ASN A 47 2.086 5.122 -8.603 1.00 0.00 N ATOM 688 CA ASN A 47 1.011 4.838 -9.547 1.00 0.00 C ATOM 689 C ASN A 47 -0.076 5.906 -9.472 1.00 0.00 C ATOM 690 O ASN A 47 -0.532 6.416 -10.495 1.00 0.00 O ATOM 691 CB ASN A 47 0.409 3.460 -9.267 1.00 0.00 C ATOM 692 CG ASN A 47 -0.382 2.924 -10.445 1.00 0.00 C ATOM 693 OD1 ASN A 47 0.182 2.609 -11.493 1.00 0.00 O ATOM 694 ND2 ASN A 47 -1.695 2.819 -10.277 1.00 0.00 N ATOM 0 H ASN A 47 2.332 4.340 -7.996 1.00 0.00 H new ATOM 0 HA ASN A 47 1.433 4.845 -10.552 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.208 2.761 -9.021 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -0.241 3.521 -8.394 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -2.279 2.465 -11.034 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -2.119 3.092 -9.391 1.00 0.00 H new ATOM 701 N PHE A 48 -0.487 6.239 -8.252 1.00 0.00 N ATOM 702 CA PHE A 48 -1.521 7.245 -8.042 1.00 0.00 C ATOM 703 C PHE A 48 -0.970 8.648 -8.277 1.00 0.00 C ATOM 704 O PHE A 48 -1.516 9.418 -9.068 1.00 0.00 O ATOM 705 CB PHE A 48 -2.086 7.138 -6.625 1.00 0.00 C ATOM 706 CG PHE A 48 -2.095 5.735 -6.087 1.00 0.00 C ATOM 707 CD1 PHE A 48 -2.689 4.708 -6.804 1.00 0.00 C ATOM 708 CD2 PHE A 48 -1.509 5.443 -4.867 1.00 0.00 C ATOM 709 CE1 PHE A 48 -2.699 3.417 -6.311 1.00 0.00 C ATOM 710 CE2 PHE A 48 -1.516 4.153 -4.369 1.00 0.00 C ATOM 711 CZ PHE A 48 -2.111 3.139 -5.093 1.00 0.00 C ATOM 0 H PHE A 48 -0.119 5.827 -7.395 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.321 7.063 -8.759 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.498 7.770 -5.959 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.104 7.528 -6.618 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.149 4.919 -7.758 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.041 6.232 -4.297 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.167 2.626 -6.878 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.057 3.939 -3.415 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.116 2.130 -4.707 1.00 0.00 H new ATOM 721 N PHE A 49 0.116 8.975 -7.584 1.00 0.00 N ATOM 722 CA PHE A 49 0.741 10.286 -7.715 1.00 0.00 C ATOM 723 C PHE A 49 2.197 10.153 -8.154 1.00 0.00 C ATOM 724 O PHE A 49 3.117 10.117 -7.337 1.00 0.00 O ATOM 725 CB PHE A 49 0.664 11.046 -6.390 1.00 0.00 C ATOM 726 CG PHE A 49 -0.661 10.908 -5.696 1.00 0.00 C ATOM 727 CD1 PHE A 49 -1.693 11.793 -5.964 1.00 0.00 C ATOM 728 CD2 PHE A 49 -0.874 9.894 -4.777 1.00 0.00 C ATOM 729 CE1 PHE A 49 -2.913 11.669 -5.326 1.00 0.00 C ATOM 730 CE2 PHE A 49 -2.093 9.764 -4.136 1.00 0.00 C ATOM 731 CZ PHE A 49 -3.113 10.652 -4.412 1.00 0.00 C ATOM 0 H PHE A 49 0.581 8.350 -6.926 1.00 0.00 H new ATOM 0 HA PHE A 49 0.199 10.844 -8.478 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.451 10.686 -5.728 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.860 12.102 -6.574 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -1.543 12.588 -6.679 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.079 9.197 -4.558 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.709 12.366 -5.542 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.246 8.969 -3.421 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.066 10.552 -3.914 1.00 0.00 H new ATOM 741 N PRO A 50 2.411 10.076 -9.476 1.00 0.00 N ATOM 742 CA PRO A 50 3.751 9.946 -10.055 1.00 0.00 C ATOM 743 C PRO A 50 4.578 11.218 -9.895 1.00 0.00 C ATOM 744 O PRO A 50 5.766 11.160 -9.580 1.00 0.00 O ATOM 745 CB PRO A 50 3.474 9.671 -11.535 1.00 0.00 C ATOM 746 CG PRO A 50 2.135 10.273 -11.787 1.00 0.00 C ATOM 747 CD PRO A 50 1.361 10.113 -10.508 1.00 0.00 C ATOM 0 HA PRO A 50 4.332 9.165 -9.564 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.236 10.121 -12.171 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.473 8.602 -11.746 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.225 11.325 -12.060 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.631 9.772 -12.613 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.671 10.942 -10.350 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.767 9.199 -10.510 1.00 0.00 H new ATOM 755 N GLU A 51 3.941 12.364 -10.114 1.00 0.00 N ATOM 756 CA GLU A 51 4.619 13.649 -9.995 1.00 0.00 C ATOM 757 C GLU A 51 5.034 13.913 -8.550 1.00 0.00 C ATOM 758 O GLU A 51 6.108 14.455 -8.291 1.00 0.00 O ATOM 759 CB GLU A 51 3.713 14.777 -10.491 1.00 0.00 C ATOM 760 CG GLU A 51 2.423 14.914 -9.699 1.00 0.00 C ATOM 761 CD GLU A 51 1.594 16.106 -10.136 1.00 0.00 C ATOM 762 OE1 GLU A 51 1.299 16.212 -11.345 1.00 0.00 O ATOM 763 OE2 GLU A 51 1.241 16.934 -9.269 1.00 0.00 O ATOM 0 H GLU A 51 2.957 12.429 -10.375 1.00 0.00 H new ATOM 0 HA GLU A 51 5.516 13.616 -10.613 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.260 15.719 -10.444 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.469 14.602 -11.539 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.833 14.005 -9.813 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.660 15.010 -8.639 1.00 0.00 H new ATOM 770 N ALA A 52 4.175 13.525 -7.614 1.00 0.00 N ATOM 771 CA ALA A 52 4.451 13.717 -6.195 1.00 0.00 C ATOM 772 C ALA A 52 5.910 13.411 -5.874 1.00 0.00 C ATOM 773 O ALA A 52 6.560 14.146 -5.131 1.00 0.00 O ATOM 774 CB ALA A 52 3.530 12.846 -5.355 1.00 0.00 C ATOM 0 H ALA A 52 3.281 13.075 -7.812 1.00 0.00 H new ATOM 0 HA ALA A 52 4.264 14.763 -5.952 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.748 13.000 -4.298 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.493 13.115 -5.555 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.689 11.798 -5.609 1.00 0.00 H new ATOM 780 N PHE A 53 6.419 12.321 -6.439 1.00 0.00 N ATOM 781 CA PHE A 53 7.802 11.916 -6.211 1.00 0.00 C ATOM 782 C PHE A 53 8.311 11.050 -7.359 1.00 0.00 C ATOM 783 O PHE A 53 7.528 10.432 -8.080 1.00 0.00 O ATOM 784 CB PHE A 53 7.921 11.153 -4.890 1.00 0.00 C ATOM 785 CG PHE A 53 7.435 9.734 -4.971 1.00 0.00 C ATOM 786 CD1 PHE A 53 6.092 9.458 -5.166 1.00 0.00 C ATOM 787 CD2 PHE A 53 8.322 8.677 -4.854 1.00 0.00 C ATOM 788 CE1 PHE A 53 5.642 8.154 -5.241 1.00 0.00 C ATOM 789 CE2 PHE A 53 7.879 7.370 -4.928 1.00 0.00 C ATOM 790 CZ PHE A 53 6.537 7.108 -5.123 1.00 0.00 C ATOM 0 H PHE A 53 5.895 11.702 -7.058 1.00 0.00 H new ATOM 0 HA PHE A 53 8.414 12.816 -6.159 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.964 11.154 -4.572 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.353 11.680 -4.123 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.388 10.272 -5.261 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.373 8.876 -4.703 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.592 7.952 -5.392 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.581 6.555 -4.833 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.188 6.088 -5.183 1.00 0.00 H new ATOM 800 N ASP A 54 9.629 11.012 -7.523 1.00 0.00 N ATOM 801 CA ASP A 54 10.245 10.222 -8.583 1.00 0.00 C ATOM 802 C ASP A 54 10.470 8.783 -8.128 1.00 0.00 C ATOM 803 O ASP A 54 10.765 8.530 -6.960 1.00 0.00 O ATOM 804 CB ASP A 54 11.573 10.849 -9.010 1.00 0.00 C ATOM 805 CG ASP A 54 11.381 12.114 -9.824 1.00 0.00 C ATOM 806 OD1 ASP A 54 10.444 12.880 -9.517 1.00 0.00 O ATOM 807 OD2 ASP A 54 12.168 12.338 -10.768 1.00 0.00 O ATOM 0 H ASP A 54 10.291 11.519 -6.936 1.00 0.00 H new ATOM 0 HA ASP A 54 9.566 10.212 -9.436 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.165 11.077 -8.124 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.141 10.126 -9.596 1.00 0.00 H new ATOM 812 N TYR A 55 10.329 7.845 -9.058 1.00 0.00 N ATOM 813 CA TYR A 55 10.513 6.432 -8.751 1.00 0.00 C ATOM 814 C TYR A 55 11.958 6.005 -8.996 1.00 0.00 C ATOM 815 O TYR A 55 12.672 5.629 -8.067 1.00 0.00 O ATOM 816 CB TYR A 55 9.567 5.577 -9.597 1.00 0.00 C ATOM 817 CG TYR A 55 9.437 4.153 -9.106 1.00 0.00 C ATOM 818 CD1 TYR A 55 8.910 3.876 -7.850 1.00 0.00 C ATOM 819 CD2 TYR A 55 9.840 3.085 -9.898 1.00 0.00 C ATOM 820 CE1 TYR A 55 8.789 2.576 -7.398 1.00 0.00 C ATOM 821 CE2 TYR A 55 9.722 1.782 -9.454 1.00 0.00 C ATOM 822 CZ TYR A 55 9.196 1.533 -8.203 1.00 0.00 C ATOM 823 OH TYR A 55 9.077 0.236 -7.757 1.00 0.00 O ATOM 0 H TYR A 55 10.088 8.038 -10.030 1.00 0.00 H new ATOM 0 HA TYR A 55 10.282 6.283 -7.696 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.581 6.041 -9.606 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.923 5.566 -10.627 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.590 4.690 -7.217 1.00 0.00 H new ATOM 0 HD2 TYR A 55 10.253 3.277 -10.878 1.00 0.00 H new ATOM 0 HE1 TYR A 55 8.378 2.378 -6.419 1.00 0.00 H new ATOM 0 HE2 TYR A 55 10.040 0.963 -10.082 1.00 0.00 H new ATOM 0 HH TYR A 55 9.408 -0.378 -8.445 1.00 0.00 H new ATOM 833 N GLY A 56 12.381 6.068 -10.254 1.00 0.00 N ATOM 834 CA GLY A 56 13.738 5.687 -10.600 1.00 0.00 C ATOM 835 C GLY A 56 14.776 6.422 -9.775 1.00 0.00 C ATOM 836 O GLY A 56 15.922 5.987 -9.678 1.00 0.00 O ATOM 0 H GLY A 56 11.809 6.376 -11.040 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.858 4.613 -10.456 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.910 5.888 -11.657 1.00 0.00 H new ATOM 840 N GLN A 57 14.372 7.541 -9.181 1.00 0.00 N ATOM 841 CA GLN A 57 15.277 8.339 -8.362 1.00 0.00 C ATOM 842 C GLN A 57 15.624 7.612 -7.067 1.00 0.00 C ATOM 843 O GLN A 57 16.741 7.725 -6.559 1.00 0.00 O ATOM 844 CB GLN A 57 14.648 9.697 -8.046 1.00 0.00 C ATOM 845 CG GLN A 57 14.970 10.771 -9.072 1.00 0.00 C ATOM 846 CD GLN A 57 16.425 11.194 -9.038 1.00 0.00 C ATOM 847 OE1 GLN A 57 17.309 10.395 -8.725 1.00 0.00 O ATOM 848 NE2 GLN A 57 16.683 12.456 -9.359 1.00 0.00 N ATOM 0 H GLN A 57 13.426 7.915 -9.252 1.00 0.00 H new ATOM 0 HA GLN A 57 16.196 8.495 -8.927 1.00 0.00 H new ATOM 0 HB2 GLN A 57 13.566 9.581 -7.982 1.00 0.00 H new ATOM 0 HB3 GLN A 57 14.992 10.028 -7.066 1.00 0.00 H new ATOM 0 HG2 GLN A 57 14.726 10.401 -10.068 1.00 0.00 H new ATOM 0 HG3 GLN A 57 14.339 11.641 -8.892 1.00 0.00 H new ATOM 0 HE21 GLN A 57 15.920 13.084 -9.612 1.00 0.00 H new ATOM 0 HE22 GLN A 57 17.644 12.798 -9.353 1.00 0.00 H new ATOM 857 N LEU A 58 14.661 6.865 -6.538 1.00 0.00 N ATOM 858 CA LEU A 58 14.865 6.119 -5.301 1.00 0.00 C ATOM 859 C LEU A 58 15.691 4.862 -5.553 1.00 0.00 C ATOM 860 O LEU A 58 15.902 4.465 -6.699 1.00 0.00 O ATOM 861 CB LEU A 58 13.518 5.743 -4.682 1.00 0.00 C ATOM 862 CG LEU A 58 12.510 6.882 -4.523 1.00 0.00 C ATOM 863 CD1 LEU A 58 11.117 6.330 -4.263 1.00 0.00 C ATOM 864 CD2 LEU A 58 12.934 7.816 -3.398 1.00 0.00 C ATOM 0 H LEU A 58 13.732 6.760 -6.946 1.00 0.00 H new ATOM 0 HA LEU A 58 15.412 6.757 -4.606 1.00 0.00 H new ATOM 0 HB2 LEU A 58 13.063 4.965 -5.296 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.701 5.307 -3.700 1.00 0.00 H new ATOM 0 HG LEU A 58 12.485 7.452 -5.452 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.413 7.155 -4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.812 5.703 -5.101 1.00 0.00 H new ATOM 0 HD13 LEU A 58 11.126 5.736 -3.349 1.00 0.00 H new ATOM 0 HD21 LEU A 58 12.205 8.621 -3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 58 12.988 7.258 -2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 58 13.913 8.239 -3.625 1.00 0.00 H new ATOM 876 N SER A 59 16.153 4.237 -4.475 1.00 0.00 N ATOM 877 CA SER A 59 16.957 3.025 -4.579 1.00 0.00 C ATOM 878 C SER A 59 16.423 1.938 -3.652 1.00 0.00 C ATOM 879 O SER A 59 15.778 2.210 -2.640 1.00 0.00 O ATOM 880 CB SER A 59 18.419 3.326 -4.241 1.00 0.00 C ATOM 881 OG SER A 59 19.069 3.972 -5.321 1.00 0.00 O ATOM 0 H SER A 59 15.984 4.550 -3.519 1.00 0.00 H new ATOM 0 HA SER A 59 16.896 2.665 -5.606 1.00 0.00 H new ATOM 0 HB2 SER A 59 18.468 3.957 -3.353 1.00 0.00 H new ATOM 0 HB3 SER A 59 18.939 2.398 -4.002 1.00 0.00 H new ATOM 0 HG SER A 59 20.001 4.155 -5.080 1.00 0.00 H new ATOM 887 N PRO A 60 16.697 0.673 -4.006 1.00 0.00 N ATOM 888 CA PRO A 60 16.254 -0.482 -3.220 1.00 0.00 C ATOM 889 C PRO A 60 16.987 -0.592 -1.887 1.00 0.00 C ATOM 890 O PRO A 60 16.381 -0.892 -0.859 1.00 0.00 O ATOM 891 CB PRO A 60 16.595 -1.674 -4.118 1.00 0.00 C ATOM 892 CG PRO A 60 17.712 -1.192 -4.979 1.00 0.00 C ATOM 893 CD PRO A 60 17.461 0.274 -5.200 1.00 0.00 C ATOM 0 HA PRO A 60 15.198 -0.416 -2.959 1.00 0.00 H new ATOM 0 HB2 PRO A 60 16.895 -2.541 -3.529 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.736 -1.977 -4.717 1.00 0.00 H new ATOM 0 HG2 PRO A 60 18.675 -1.355 -4.496 1.00 0.00 H new ATOM 0 HG3 PRO A 60 17.735 -1.731 -5.926 1.00 0.00 H new ATOM 0 HD2 PRO A 60 18.393 0.833 -5.286 1.00 0.00 H new ATOM 0 HD3 PRO A 60 16.897 0.452 -6.116 1.00 0.00 H new ATOM 901 N GLN A 61 18.293 -0.348 -1.914 1.00 0.00 N ATOM 902 CA GLN A 61 19.108 -0.421 -0.707 1.00 0.00 C ATOM 903 C GLN A 61 18.513 0.439 0.404 1.00 0.00 C ATOM 904 O GLN A 61 18.759 0.201 1.585 1.00 0.00 O ATOM 905 CB GLN A 61 20.539 0.029 -1.004 1.00 0.00 C ATOM 906 CG GLN A 61 21.446 -1.098 -1.472 1.00 0.00 C ATOM 907 CD GLN A 61 22.912 -0.713 -1.456 1.00 0.00 C ATOM 908 OE1 GLN A 61 23.264 0.445 -1.683 1.00 0.00 O ATOM 909 NE2 GLN A 61 23.777 -1.684 -1.186 1.00 0.00 N ATOM 0 H GLN A 61 18.809 -0.098 -2.758 1.00 0.00 H new ATOM 0 HA GLN A 61 19.123 -1.458 -0.371 1.00 0.00 H new ATOM 0 HB2 GLN A 61 20.516 0.806 -1.768 1.00 0.00 H new ATOM 0 HB3 GLN A 61 20.964 0.477 -0.106 1.00 0.00 H new ATOM 0 HG2 GLN A 61 21.296 -1.969 -0.834 1.00 0.00 H new ATOM 0 HG3 GLN A 61 21.162 -1.391 -2.483 1.00 0.00 H new ATOM 0 HE21 GLN A 61 23.441 -2.630 -1.004 1.00 0.00 H new ATOM 0 HE22 GLN A 61 24.777 -1.484 -1.161 1.00 0.00 H new ATOM 918 N ASN A 62 17.730 1.440 0.015 1.00 0.00 N ATOM 919 CA ASN A 62 17.100 2.336 0.979 1.00 0.00 C ATOM 920 C ASN A 62 15.858 1.693 1.589 1.00 0.00 C ATOM 921 O ASN A 62 14.798 1.652 0.964 1.00 0.00 O ATOM 922 CB ASN A 62 16.726 3.659 0.307 1.00 0.00 C ATOM 923 CG ASN A 62 17.853 4.672 0.358 1.00 0.00 C ATOM 924 OD1 ASN A 62 18.520 4.825 1.382 1.00 0.00 O ATOM 925 ND2 ASN A 62 18.070 5.372 -0.750 1.00 0.00 N ATOM 0 H ASN A 62 17.517 1.651 -0.960 1.00 0.00 H new ATOM 0 HA ASN A 62 17.815 2.531 1.778 1.00 0.00 H new ATOM 0 HB2 ASN A 62 16.456 3.472 -0.732 1.00 0.00 H new ATOM 0 HB3 ASN A 62 15.845 4.075 0.795 1.00 0.00 H new ATOM 0 HD21 ASN A 62 18.814 6.069 -0.775 1.00 0.00 H new ATOM 0 HD22 ASN A 62 17.493 5.212 -1.576 1.00 0.00 H new ATOM 932 N ARG A 63 15.998 1.194 2.813 1.00 0.00 N ATOM 933 CA ARG A 63 14.888 0.553 3.507 1.00 0.00 C ATOM 934 C ARG A 63 13.937 1.595 4.091 1.00 0.00 C ATOM 935 O ARG A 63 12.735 1.358 4.204 1.00 0.00 O ATOM 936 CB ARG A 63 15.411 -0.356 4.620 1.00 0.00 C ATOM 937 CG ARG A 63 16.506 -1.307 4.166 1.00 0.00 C ATOM 938 CD ARG A 63 17.468 -1.631 5.298 1.00 0.00 C ATOM 939 NE ARG A 63 18.446 -0.567 5.506 1.00 0.00 N ATOM 940 CZ ARG A 63 19.208 -0.470 6.591 1.00 0.00 C ATOM 941 NH1 ARG A 63 19.105 -1.370 7.559 1.00 0.00 N ATOM 942 NH2 ARG A 63 20.074 0.527 6.708 1.00 0.00 N ATOM 0 H ARG A 63 16.869 1.221 3.344 1.00 0.00 H new ATOM 0 HA ARG A 63 14.339 -0.049 2.783 1.00 0.00 H new ATOM 0 HB2 ARG A 63 15.792 0.262 5.433 1.00 0.00 H new ATOM 0 HB3 ARG A 63 14.581 -0.937 5.023 1.00 0.00 H new ATOM 0 HG2 ARG A 63 16.058 -2.228 3.793 1.00 0.00 H new ATOM 0 HG3 ARG A 63 17.055 -0.861 3.337 1.00 0.00 H new ATOM 0 HD2 ARG A 63 16.905 -1.791 6.218 1.00 0.00 H new ATOM 0 HD3 ARG A 63 17.988 -2.563 5.076 1.00 0.00 H new ATOM 0 HE ARG A 63 18.550 0.141 4.779 1.00 0.00 H new ATOM 0 HH11 ARG A 63 18.440 -2.139 7.472 1.00 0.00 H new ATOM 0 HH12 ARG A 63 19.691 -1.294 8.391 1.00 0.00 H new ATOM 0 HH21 ARG A 63 20.156 1.221 5.965 1.00 0.00 H new ATOM 0 HH22 ARG A 63 20.658 0.600 7.541 1.00 0.00 H new ATOM 956 N ARG A 64 14.486 2.747 4.461 1.00 0.00 N ATOM 957 CA ARG A 64 13.688 3.824 5.034 1.00 0.00 C ATOM 958 C ARG A 64 13.032 4.659 3.938 1.00 0.00 C ATOM 959 O ARG A 64 11.811 4.651 3.786 1.00 0.00 O ATOM 960 CB ARG A 64 14.559 4.718 5.919 1.00 0.00 C ATOM 961 CG ARG A 64 15.037 4.037 7.190 1.00 0.00 C ATOM 962 CD ARG A 64 16.349 4.630 7.681 1.00 0.00 C ATOM 963 NE ARG A 64 16.864 3.925 8.852 1.00 0.00 N ATOM 964 CZ ARG A 64 16.350 4.051 10.070 1.00 0.00 C ATOM 965 NH1 ARG A 64 15.312 4.850 10.276 1.00 0.00 N ATOM 966 NH2 ARG A 64 16.874 3.377 11.086 1.00 0.00 N ATOM 0 H ARG A 64 15.480 2.959 4.374 1.00 0.00 H new ATOM 0 HA ARG A 64 12.903 3.375 5.643 1.00 0.00 H new ATOM 0 HB2 ARG A 64 15.425 5.048 5.346 1.00 0.00 H new ATOM 0 HB3 ARG A 64 13.994 5.611 6.186 1.00 0.00 H new ATOM 0 HG2 ARG A 64 14.278 4.138 7.966 1.00 0.00 H new ATOM 0 HG3 ARG A 64 15.165 2.970 7.006 1.00 0.00 H new ATOM 0 HD2 ARG A 64 17.087 4.590 6.880 1.00 0.00 H new ATOM 0 HD3 ARG A 64 16.202 5.682 7.927 1.00 0.00 H new ATOM 0 HE ARG A 64 17.662 3.302 8.727 1.00 0.00 H new ATOM 0 HH11 ARG A 64 14.906 5.370 9.498 1.00 0.00 H new ATOM 0 HH12 ARG A 64 14.919 4.945 11.213 1.00 0.00 H new ATOM 0 HH21 ARG A 64 17.672 2.761 10.932 1.00 0.00 H new ATOM 0 HH22 ARG A 64 16.478 3.475 12.021 1.00 0.00 H new ATOM 980 N GLN A 65 13.853 5.377 3.178 1.00 0.00 N ATOM 981 CA GLN A 65 13.352 6.218 2.097 1.00 0.00 C ATOM 982 C GLN A 65 12.146 5.574 1.421 1.00 0.00 C ATOM 983 O GLN A 65 11.084 6.186 1.313 1.00 0.00 O ATOM 984 CB GLN A 65 14.454 6.470 1.067 1.00 0.00 C ATOM 985 CG GLN A 65 14.279 7.768 0.294 1.00 0.00 C ATOM 986 CD GLN A 65 14.252 8.985 1.196 1.00 0.00 C ATOM 987 OE1 GLN A 65 13.258 9.250 1.872 1.00 0.00 O ATOM 988 NE2 GLN A 65 15.348 9.735 1.212 1.00 0.00 N ATOM 0 H GLN A 65 14.867 5.393 3.291 1.00 0.00 H new ATOM 0 HA GLN A 65 13.040 7.170 2.526 1.00 0.00 H new ATOM 0 HB2 GLN A 65 15.418 6.487 1.575 1.00 0.00 H new ATOM 0 HB3 GLN A 65 14.479 5.638 0.363 1.00 0.00 H new ATOM 0 HG2 GLN A 65 15.092 7.871 -0.424 1.00 0.00 H new ATOM 0 HG3 GLN A 65 13.352 7.724 -0.278 1.00 0.00 H new ATOM 0 HE21 GLN A 65 16.150 9.479 0.636 1.00 0.00 H new ATOM 0 HE22 GLN A 65 15.388 10.567 1.801 1.00 0.00 H new ATOM 997 N ASN A 66 12.318 4.337 0.968 1.00 0.00 N ATOM 998 CA ASN A 66 11.243 3.611 0.301 1.00 0.00 C ATOM 999 C ASN A 66 9.950 3.691 1.108 1.00 0.00 C ATOM 1000 O ASN A 66 8.886 3.991 0.567 1.00 0.00 O ATOM 1001 CB ASN A 66 11.639 2.147 0.096 1.00 0.00 C ATOM 1002 CG ASN A 66 12.671 1.975 -1.001 1.00 0.00 C ATOM 1003 OD1 ASN A 66 12.922 2.894 -1.782 1.00 0.00 O ATOM 1004 ND2 ASN A 66 13.276 0.795 -1.065 1.00 0.00 N ATOM 0 H ASN A 66 13.191 3.816 1.050 1.00 0.00 H new ATOM 0 HA ASN A 66 11.074 4.075 -0.671 1.00 0.00 H new ATOM 0 HB2 ASN A 66 12.035 1.747 1.029 1.00 0.00 H new ATOM 0 HB3 ASN A 66 10.751 1.564 -0.150 1.00 0.00 H new ATOM 0 HD21 ASN A 66 13.980 0.621 -1.782 1.00 0.00 H new ATOM 0 HD22 ASN A 66 13.037 0.062 -0.397 1.00 0.00 H new ATOM 1011 N PHE A 67 10.051 3.422 2.405 1.00 0.00 N ATOM 1012 CA PHE A 67 8.890 3.464 3.287 1.00 0.00 C ATOM 1013 C PHE A 67 8.407 4.898 3.482 1.00 0.00 C ATOM 1014 O PHE A 67 7.238 5.205 3.252 1.00 0.00 O ATOM 1015 CB PHE A 67 9.230 2.839 4.642 1.00 0.00 C ATOM 1016 CG PHE A 67 9.086 1.344 4.666 1.00 0.00 C ATOM 1017 CD1 PHE A 67 9.947 0.540 3.937 1.00 0.00 C ATOM 1018 CD2 PHE A 67 8.090 0.744 5.419 1.00 0.00 C ATOM 1019 CE1 PHE A 67 9.815 -0.836 3.957 1.00 0.00 C ATOM 1020 CE2 PHE A 67 7.954 -0.632 5.444 1.00 0.00 C ATOM 1021 CZ PHE A 67 8.819 -1.422 4.712 1.00 0.00 C ATOM 0 H PHE A 67 10.924 3.173 2.869 1.00 0.00 H new ATOM 0 HA PHE A 67 8.089 2.890 2.821 1.00 0.00 H new ATOM 0 HB2 PHE A 67 10.254 3.102 4.907 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.582 3.271 5.405 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.730 0.993 3.347 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.412 1.358 5.993 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.491 -1.452 3.382 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.173 -1.088 6.035 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.716 -2.497 4.730 1.00 0.00 H new ATOM 1031 N GLU A 68 9.315 5.769 3.909 1.00 0.00 N ATOM 1032 CA GLU A 68 8.981 7.170 4.136 1.00 0.00 C ATOM 1033 C GLU A 68 8.306 7.775 2.908 1.00 0.00 C ATOM 1034 O GLU A 68 7.109 8.065 2.923 1.00 0.00 O ATOM 1035 CB GLU A 68 10.239 7.968 4.484 1.00 0.00 C ATOM 1036 CG GLU A 68 11.094 7.317 5.558 1.00 0.00 C ATOM 1037 CD GLU A 68 11.880 8.328 6.370 1.00 0.00 C ATOM 1038 OE1 GLU A 68 11.410 9.478 6.500 1.00 0.00 O ATOM 1039 OE2 GLU A 68 12.965 7.970 6.876 1.00 0.00 O ATOM 0 H GLU A 68 10.287 5.530 4.105 1.00 0.00 H new ATOM 0 HA GLU A 68 8.285 7.219 4.973 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.838 8.097 3.583 1.00 0.00 H new ATOM 0 HB3 GLU A 68 9.947 8.964 4.818 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.455 6.739 6.225 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.785 6.615 5.091 1.00 0.00 H new ATOM 1046 N VAL A 69 9.082 7.962 1.846 1.00 0.00 N ATOM 1047 CA VAL A 69 8.560 8.531 0.609 1.00 0.00 C ATOM 1048 C VAL A 69 7.137 8.054 0.341 1.00 0.00 C ATOM 1049 O VAL A 69 6.218 8.860 0.198 1.00 0.00 O ATOM 1050 CB VAL A 69 9.448 8.165 -0.596 1.00 0.00 C ATOM 1051 CG1 VAL A 69 8.865 8.732 -1.881 1.00 0.00 C ATOM 1052 CG2 VAL A 69 10.869 8.662 -0.381 1.00 0.00 C ATOM 0 H VAL A 69 10.074 7.728 1.817 1.00 0.00 H new ATOM 0 HA VAL A 69 8.559 9.614 0.735 1.00 0.00 H new ATOM 0 HB VAL A 69 9.477 7.079 -0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.506 8.463 -2.721 1.00 0.00 H new ATOM 0 HG12 VAL A 69 7.868 8.322 -2.040 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.803 9.818 -1.805 1.00 0.00 H new ATOM 0 HG21 VAL A 69 11.482 8.395 -1.242 1.00 0.00 H new ATOM 0 HG22 VAL A 69 10.862 9.746 -0.263 1.00 0.00 H new ATOM 0 HG23 VAL A 69 11.283 8.202 0.516 1.00 0.00 H new ATOM 1062 N ALA A 70 6.962 6.739 0.276 1.00 0.00 N ATOM 1063 CA ALA A 70 5.651 6.154 0.028 1.00 0.00 C ATOM 1064 C ALA A 70 4.589 6.788 0.921 1.00 0.00 C ATOM 1065 O ALA A 70 3.543 7.227 0.442 1.00 0.00 O ATOM 1066 CB ALA A 70 5.694 4.648 0.246 1.00 0.00 C ATOM 0 H ALA A 70 7.712 6.058 0.392 1.00 0.00 H new ATOM 0 HA ALA A 70 5.383 6.353 -1.010 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.707 4.225 0.057 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.417 4.202 -0.437 1.00 0.00 H new ATOM 0 HB3 ALA A 70 5.988 4.437 1.274 1.00 0.00 H new ATOM 1072 N PHE A 71 4.865 6.834 2.220 1.00 0.00 N ATOM 1073 CA PHE A 71 3.933 7.414 3.179 1.00 0.00 C ATOM 1074 C PHE A 71 3.851 8.928 3.011 1.00 0.00 C ATOM 1075 O PHE A 71 2.809 9.466 2.637 1.00 0.00 O ATOM 1076 CB PHE A 71 4.360 7.070 4.608 1.00 0.00 C ATOM 1077 CG PHE A 71 4.254 5.607 4.930 1.00 0.00 C ATOM 1078 CD1 PHE A 71 3.093 4.905 4.649 1.00 0.00 C ATOM 1079 CD2 PHE A 71 5.315 4.934 5.514 1.00 0.00 C ATOM 1080 CE1 PHE A 71 2.992 3.558 4.944 1.00 0.00 C ATOM 1081 CE2 PHE A 71 5.220 3.588 5.810 1.00 0.00 C ATOM 1082 CZ PHE A 71 4.057 2.899 5.526 1.00 0.00 C ATOM 0 H PHE A 71 5.727 6.476 2.633 1.00 0.00 H new ATOM 0 HA PHE A 71 2.946 6.992 2.990 1.00 0.00 H new ATOM 0 HB2 PHE A 71 5.390 7.393 4.759 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.744 7.634 5.308 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.257 5.416 4.194 1.00 0.00 H new ATOM 0 HD2 PHE A 71 6.226 5.468 5.740 1.00 0.00 H new ATOM 0 HE1 PHE A 71 2.082 3.022 4.720 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.055 3.074 6.263 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.981 1.847 5.759 1.00 0.00 H new ATOM 1092 N SER A 72 4.957 9.610 3.291 1.00 0.00 N ATOM 1093 CA SER A 72 5.010 11.062 3.176 1.00 0.00 C ATOM 1094 C SER A 72 4.352 11.528 1.881 1.00 0.00 C ATOM 1095 O SER A 72 3.362 12.259 1.903 1.00 0.00 O ATOM 1096 CB SER A 72 6.461 11.546 3.227 1.00 0.00 C ATOM 1097 OG SER A 72 7.060 11.230 4.471 1.00 0.00 O ATOM 0 H SER A 72 5.829 9.180 3.599 1.00 0.00 H new ATOM 0 HA SER A 72 4.462 11.489 4.016 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.030 11.086 2.419 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.494 12.624 3.067 1.00 0.00 H new ATOM 0 HG SER A 72 7.987 11.548 4.478 1.00 0.00 H new ATOM 1103 N SER A 73 4.910 11.100 0.753 1.00 0.00 N ATOM 1104 CA SER A 73 4.380 11.476 -0.552 1.00 0.00 C ATOM 1105 C SER A 73 2.855 11.437 -0.552 1.00 0.00 C ATOM 1106 O SER A 73 2.202 12.260 -1.192 1.00 0.00 O ATOM 1107 CB SER A 73 4.925 10.542 -1.635 1.00 0.00 C ATOM 1108 OG SER A 73 6.339 10.616 -1.708 1.00 0.00 O ATOM 0 H SER A 73 5.729 10.493 0.717 1.00 0.00 H new ATOM 0 HA SER A 73 4.700 12.496 -0.766 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.622 9.517 -1.422 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.493 10.808 -2.600 1.00 0.00 H new ATOM 0 HG SER A 73 6.731 10.138 -0.948 1.00 0.00 H new ATOM 1114 N ALA A 74 2.295 10.473 0.171 1.00 0.00 N ATOM 1115 CA ALA A 74 0.847 10.326 0.257 1.00 0.00 C ATOM 1116 C ALA A 74 0.236 11.417 1.131 1.00 0.00 C ATOM 1117 O ALA A 74 -0.697 12.105 0.718 1.00 0.00 O ATOM 1118 CB ALA A 74 0.487 8.951 0.799 1.00 0.00 C ATOM 0 H ALA A 74 2.822 9.782 0.706 1.00 0.00 H new ATOM 0 HA ALA A 74 0.436 10.428 -0.747 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.597 8.856 0.858 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.883 8.183 0.135 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.916 8.828 1.793 1.00 0.00 H new ATOM 1124 N GLU A 75 0.768 11.568 2.340 1.00 0.00 N ATOM 1125 CA GLU A 75 0.272 12.575 3.271 1.00 0.00 C ATOM 1126 C GLU A 75 0.304 13.963 2.639 1.00 0.00 C ATOM 1127 O GLU A 75 -0.309 14.903 3.146 1.00 0.00 O ATOM 1128 CB GLU A 75 1.105 12.567 4.555 1.00 0.00 C ATOM 1129 CG GLU A 75 0.603 13.538 5.611 1.00 0.00 C ATOM 1130 CD GLU A 75 1.534 13.635 6.804 1.00 0.00 C ATOM 1131 OE1 GLU A 75 2.745 13.381 6.634 1.00 0.00 O ATOM 1132 OE2 GLU A 75 1.052 13.965 7.907 1.00 0.00 O ATOM 0 H GLU A 75 1.541 11.007 2.697 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.762 12.330 3.515 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.107 11.560 4.971 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.138 12.812 4.310 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.486 14.526 5.165 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.384 13.222 5.950 1.00 0.00 H new ATOM 1139 N THR A 76 1.024 14.085 1.528 1.00 0.00 N ATOM 1140 CA THR A 76 1.138 15.358 0.827 1.00 0.00 C ATOM 1141 C THR A 76 -0.234 15.901 0.446 1.00 0.00 C ATOM 1142 O THR A 76 -0.691 16.903 0.997 1.00 0.00 O ATOM 1143 CB THR A 76 1.996 15.223 -0.445 1.00 0.00 C ATOM 1144 OG1 THR A 76 3.297 14.730 -0.109 1.00 0.00 O ATOM 1145 CG2 THR A 76 2.123 16.562 -1.156 1.00 0.00 C ATOM 0 H THR A 76 1.537 13.317 1.094 1.00 0.00 H new ATOM 0 HA THR A 76 1.623 16.054 1.512 1.00 0.00 H new ATOM 0 HB THR A 76 1.504 14.518 -1.116 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.835 14.646 -0.924 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.733 16.442 -2.051 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.133 16.920 -1.437 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.594 17.284 -0.490 1.00 0.00 H new ATOM 1153 N HIS A 77 -0.889 15.233 -0.498 1.00 0.00 N ATOM 1154 CA HIS A 77 -2.211 15.649 -0.951 1.00 0.00 C ATOM 1155 C HIS A 77 -3.274 14.642 -0.521 1.00 0.00 C ATOM 1156 O HIS A 77 -4.471 14.902 -0.636 1.00 0.00 O ATOM 1157 CB HIS A 77 -2.226 15.805 -2.472 1.00 0.00 C ATOM 1158 CG HIS A 77 -1.275 14.889 -3.178 1.00 0.00 C ATOM 1159 ND1 HIS A 77 -0.439 15.307 -4.192 1.00 0.00 N ATOM 1160 CD2 HIS A 77 -1.028 13.568 -3.010 1.00 0.00 C ATOM 1161 CE1 HIS A 77 0.279 14.284 -4.618 1.00 0.00 C ATOM 1162 NE2 HIS A 77 -0.059 13.217 -3.917 1.00 0.00 N ATOM 0 H HIS A 77 -0.526 14.402 -0.964 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.440 16.611 -0.492 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -3.236 15.619 -2.838 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -1.980 16.836 -2.726 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.504 12.913 -2.296 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.017 14.315 -5.406 1.00 0.00 H new ATOM 0 HE2 HIS A 77 0.336 12.283 -4.031 1.00 0.00 H new ATOM 1171 N ALA A 78 -2.828 13.493 -0.026 1.00 0.00 N ATOM 1172 CA ALA A 78 -3.741 12.448 0.422 1.00 0.00 C ATOM 1173 C ALA A 78 -4.016 12.565 1.917 1.00 0.00 C ATOM 1174 O ALA A 78 -5.017 12.049 2.416 1.00 0.00 O ATOM 1175 CB ALA A 78 -3.174 11.075 0.094 1.00 0.00 C ATOM 0 H ALA A 78 -1.840 13.262 0.075 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.686 12.574 -0.106 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.866 10.305 0.434 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.034 10.987 -0.983 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.215 10.948 0.596 1.00 0.00 H new ATOM 1181 N ASP A 79 -3.123 13.245 2.628 1.00 0.00 N ATOM 1182 CA ASP A 79 -3.271 13.429 4.067 1.00 0.00 C ATOM 1183 C ASP A 79 -3.720 12.135 4.737 1.00 0.00 C ATOM 1184 O ASP A 79 -4.678 12.125 5.512 1.00 0.00 O ATOM 1185 CB ASP A 79 -4.275 14.545 4.359 1.00 0.00 C ATOM 1186 CG ASP A 79 -3.971 15.273 5.654 1.00 0.00 C ATOM 1187 OD1 ASP A 79 -2.819 15.724 5.824 1.00 0.00 O ATOM 1188 OD2 ASP A 79 -4.885 15.392 6.495 1.00 0.00 O ATOM 0 H ASP A 79 -2.289 13.678 2.231 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.300 13.709 4.475 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.271 15.258 3.535 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.279 14.123 4.410 1.00 0.00 H new ATOM 1193 N CYS A 80 -3.025 11.045 4.434 1.00 0.00 N ATOM 1194 CA CYS A 80 -3.353 9.744 5.006 1.00 0.00 C ATOM 1195 C CYS A 80 -2.871 9.647 6.449 1.00 0.00 C ATOM 1196 O CYS A 80 -1.773 10.084 6.794 1.00 0.00 O ATOM 1197 CB CYS A 80 -2.730 8.624 4.171 1.00 0.00 C ATOM 1198 SG CYS A 80 -2.843 6.987 4.930 1.00 0.00 S ATOM 0 H CYS A 80 -2.230 11.036 3.795 1.00 0.00 H new ATOM 0 HA CYS A 80 -4.437 9.634 4.996 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -3.220 8.596 3.198 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.680 8.859 3.993 1.00 0.00 H new ATOM 0 HG CYS A 80 -1.829 6.264 4.556 1.00 0.00 H new ATOM 1204 N PRO A 81 -3.712 9.062 7.316 1.00 0.00 N ATOM 1205 CA PRO A 81 -3.393 8.895 8.737 1.00 0.00 C ATOM 1206 C PRO A 81 -2.287 7.871 8.967 1.00 0.00 C ATOM 1207 O PRO A 81 -2.559 6.692 9.190 1.00 0.00 O ATOM 1208 CB PRO A 81 -4.711 8.404 9.340 1.00 0.00 C ATOM 1209 CG PRO A 81 -5.426 7.751 8.208 1.00 0.00 C ATOM 1210 CD PRO A 81 -5.037 8.518 6.975 1.00 0.00 C ATOM 0 HA PRO A 81 -3.022 9.818 9.183 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.536 7.702 10.155 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.291 9.231 9.750 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -5.143 6.702 8.121 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.505 7.778 8.360 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.993 7.873 6.098 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.752 9.310 6.752 1.00 0.00 H new ATOM 1218 N GLN A 82 -1.041 8.330 8.912 1.00 0.00 N ATOM 1219 CA GLN A 82 0.105 7.452 9.115 1.00 0.00 C ATOM 1220 C GLN A 82 -0.151 6.477 10.259 1.00 0.00 C ATOM 1221 O GLN A 82 -0.127 6.858 11.430 1.00 0.00 O ATOM 1222 CB GLN A 82 1.361 8.277 9.403 1.00 0.00 C ATOM 1223 CG GLN A 82 1.955 8.933 8.167 1.00 0.00 C ATOM 1224 CD GLN A 82 3.099 9.871 8.497 1.00 0.00 C ATOM 1225 OE1 GLN A 82 3.271 10.279 9.646 1.00 0.00 O ATOM 1226 NE2 GLN A 82 3.890 10.219 7.488 1.00 0.00 N ATOM 0 H GLN A 82 -0.800 9.304 8.729 1.00 0.00 H new ATOM 0 HA GLN A 82 0.257 6.878 8.201 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.119 9.049 10.133 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.113 7.632 9.859 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.309 8.160 7.485 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.175 9.487 7.644 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.711 9.857 6.551 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.676 10.848 7.650 1.00 0.00 H new ATOM 1235 N LEU A 83 -0.397 5.219 9.913 1.00 0.00 N ATOM 1236 CA LEU A 83 -0.658 4.188 10.912 1.00 0.00 C ATOM 1237 C LEU A 83 0.613 3.409 11.236 1.00 0.00 C ATOM 1238 O LEU A 83 1.089 3.423 12.372 1.00 0.00 O ATOM 1239 CB LEU A 83 -1.743 3.231 10.414 1.00 0.00 C ATOM 1240 CG LEU A 83 -3.027 3.882 9.899 1.00 0.00 C ATOM 1241 CD1 LEU A 83 -4.052 2.821 9.529 1.00 0.00 C ATOM 1242 CD2 LEU A 83 -3.596 4.836 10.938 1.00 0.00 C ATOM 0 H LEU A 83 -0.421 4.888 8.949 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.004 4.678 11.822 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.322 2.621 9.614 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.004 2.554 11.228 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.787 4.454 9.003 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.959 3.303 9.165 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.644 2.178 8.749 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -4.288 2.221 10.408 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.510 5.290 10.554 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.821 4.287 11.852 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.866 5.616 11.154 1.00 0.00 H new ATOM 1254 N LEU A 84 1.158 2.733 10.232 1.00 0.00 N ATOM 1255 CA LEU A 84 2.376 1.949 10.409 1.00 0.00 C ATOM 1256 C LEU A 84 3.500 2.811 10.975 1.00 0.00 C ATOM 1257 O LEU A 84 3.498 4.032 10.820 1.00 0.00 O ATOM 1258 CB LEU A 84 2.810 1.336 9.077 1.00 0.00 C ATOM 1259 CG LEU A 84 1.736 0.560 8.314 1.00 0.00 C ATOM 1260 CD1 LEU A 84 2.021 0.583 6.820 1.00 0.00 C ATOM 1261 CD2 LEU A 84 1.652 -0.873 8.821 1.00 0.00 C ATOM 0 H LEU A 84 0.776 2.711 9.286 1.00 0.00 H new ATOM 0 HA LEU A 84 2.164 1.149 11.118 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.177 2.136 8.434 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.650 0.667 9.264 1.00 0.00 H new ATOM 0 HG LEU A 84 0.774 1.043 8.487 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.246 0.026 6.293 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.030 1.614 6.467 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.991 0.125 6.628 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.883 -1.411 8.267 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.613 -1.366 8.678 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.400 -0.870 9.881 1.00 0.00 H new ATOM 1273 N ASP A 85 4.460 2.167 11.631 1.00 0.00 N ATOM 1274 CA ASP A 85 5.592 2.874 12.217 1.00 0.00 C ATOM 1275 C ASP A 85 6.893 2.488 11.521 1.00 0.00 C ATOM 1276 O ASP A 85 7.633 1.625 11.995 1.00 0.00 O ATOM 1277 CB ASP A 85 5.691 2.571 13.713 1.00 0.00 C ATOM 1278 CG ASP A 85 4.623 3.284 14.520 1.00 0.00 C ATOM 1279 OD1 ASP A 85 4.563 4.530 14.454 1.00 0.00 O ATOM 1280 OD2 ASP A 85 3.848 2.597 15.216 1.00 0.00 O ATOM 0 H ASP A 85 4.476 1.157 11.770 1.00 0.00 H new ATOM 0 HA ASP A 85 5.431 3.943 12.080 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.603 1.496 13.870 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.675 2.867 14.076 1.00 0.00 H new ATOM 1285 N THR A 86 7.168 3.133 10.391 1.00 0.00 N ATOM 1286 CA THR A 86 8.378 2.856 9.627 1.00 0.00 C ATOM 1287 C THR A 86 9.542 2.509 10.549 1.00 0.00 C ATOM 1288 O THR A 86 10.175 1.465 10.397 1.00 0.00 O ATOM 1289 CB THR A 86 8.775 4.057 8.748 1.00 0.00 C ATOM 1290 OG1 THR A 86 7.608 4.634 8.152 1.00 0.00 O ATOM 1291 CG2 THR A 86 9.749 3.632 7.660 1.00 0.00 C ATOM 0 H THR A 86 6.568 3.851 9.985 1.00 0.00 H new ATOM 0 HA THR A 86 8.159 2.003 8.985 1.00 0.00 H new ATOM 0 HB THR A 86 9.263 4.798 9.381 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.256 4.027 7.468 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.015 4.497 7.052 1.00 0.00 H new ATOM 0 HG22 THR A 86 10.648 3.220 8.118 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.283 2.875 7.030 1.00 0.00 H new ATOM 1299 N GLU A 87 9.817 3.390 11.505 1.00 0.00 N ATOM 1300 CA GLU A 87 10.906 3.175 12.451 1.00 0.00 C ATOM 1301 C GLU A 87 10.908 1.737 12.960 1.00 0.00 C ATOM 1302 O GLU A 87 11.952 1.086 13.009 1.00 0.00 O ATOM 1303 CB GLU A 87 10.787 4.145 13.628 1.00 0.00 C ATOM 1304 CG GLU A 87 10.832 5.608 13.219 1.00 0.00 C ATOM 1305 CD GLU A 87 11.113 6.532 14.388 1.00 0.00 C ATOM 1306 OE1 GLU A 87 11.879 6.134 15.289 1.00 0.00 O ATOM 1307 OE2 GLU A 87 10.565 7.655 14.400 1.00 0.00 O ATOM 0 H GLU A 87 9.301 4.259 11.645 1.00 0.00 H new ATOM 0 HA GLU A 87 11.847 3.359 11.932 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.852 3.952 14.154 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.595 3.949 14.333 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.601 5.745 12.459 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.881 5.883 12.763 1.00 0.00 H new ATOM 1314 N ASP A 88 9.732 1.249 13.339 1.00 0.00 N ATOM 1315 CA ASP A 88 9.597 -0.112 13.845 1.00 0.00 C ATOM 1316 C ASP A 88 9.605 -1.121 12.700 1.00 0.00 C ATOM 1317 O ASP A 88 10.014 -2.268 12.874 1.00 0.00 O ATOM 1318 CB ASP A 88 8.307 -0.252 14.655 1.00 0.00 C ATOM 1319 CG ASP A 88 8.420 -1.296 15.749 1.00 0.00 C ATOM 1320 OD1 ASP A 88 9.353 -2.125 15.684 1.00 0.00 O ATOM 1321 OD2 ASP A 88 7.577 -1.284 16.669 1.00 0.00 O ATOM 0 H ASP A 88 8.859 1.775 13.305 1.00 0.00 H new ATOM 0 HA ASP A 88 10.449 -0.318 14.493 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.055 0.710 15.100 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.489 -0.518 13.986 1.00 0.00 H new ATOM 1326 N MET A 89 9.149 -0.684 11.531 1.00 0.00 N ATOM 1327 CA MET A 89 9.103 -1.549 10.358 1.00 0.00 C ATOM 1328 C MET A 89 10.511 -1.908 9.892 1.00 0.00 C ATOM 1329 O MET A 89 10.772 -3.041 9.489 1.00 0.00 O ATOM 1330 CB MET A 89 8.337 -0.867 9.223 1.00 0.00 C ATOM 1331 CG MET A 89 6.906 -0.506 9.587 1.00 0.00 C ATOM 1332 SD MET A 89 5.927 -0.018 8.154 1.00 0.00 S ATOM 1333 CE MET A 89 5.129 -1.568 7.745 1.00 0.00 C ATOM 0 H MET A 89 8.806 0.263 11.371 1.00 0.00 H new ATOM 0 HA MET A 89 8.585 -2.467 10.635 1.00 0.00 H new ATOM 0 HB2 MET A 89 8.868 0.039 8.930 1.00 0.00 H new ATOM 0 HB3 MET A 89 8.327 -1.526 8.355 1.00 0.00 H new ATOM 0 HG2 MET A 89 6.432 -1.359 10.072 1.00 0.00 H new ATOM 0 HG3 MET A 89 6.914 0.309 10.311 1.00 0.00 H new ATOM 0 HE1 MET A 89 4.238 -1.372 7.149 1.00 0.00 H new ATOM 0 HE2 MET A 89 5.817 -2.192 7.175 1.00 0.00 H new ATOM 0 HE3 MET A 89 4.846 -2.085 8.662 1.00 0.00 H new ATOM 1343 N VAL A 90 11.415 -0.935 9.951 1.00 0.00 N ATOM 1344 CA VAL A 90 12.796 -1.149 9.536 1.00 0.00 C ATOM 1345 C VAL A 90 13.439 -2.281 10.329 1.00 0.00 C ATOM 1346 O VAL A 90 13.795 -3.319 9.771 1.00 0.00 O ATOM 1347 CB VAL A 90 13.639 0.129 9.711 1.00 0.00 C ATOM 1348 CG1 VAL A 90 15.123 -0.203 9.689 1.00 0.00 C ATOM 1349 CG2 VAL A 90 13.296 1.144 8.632 1.00 0.00 C ATOM 0 H VAL A 90 11.216 0.009 10.282 1.00 0.00 H new ATOM 0 HA VAL A 90 12.771 -1.418 8.480 1.00 0.00 H new ATOM 0 HB VAL A 90 13.404 0.569 10.680 1.00 0.00 H new ATOM 0 HG11 VAL A 90 15.702 0.712 9.814 1.00 0.00 H new ATOM 0 HG12 VAL A 90 15.354 -0.892 10.501 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.378 -0.667 8.736 1.00 0.00 H new ATOM 0 HG21 VAL A 90 13.900 2.040 8.770 1.00 0.00 H new ATOM 0 HG22 VAL A 90 13.502 0.716 7.651 1.00 0.00 H new ATOM 0 HG23 VAL A 90 12.240 1.404 8.700 1.00 0.00 H new ATOM 1359 N ARG A 91 13.585 -2.074 11.634 1.00 0.00 N ATOM 1360 CA ARG A 91 14.186 -3.077 12.504 1.00 0.00 C ATOM 1361 C ARG A 91 13.437 -4.402 12.405 1.00 0.00 C ATOM 1362 O ARG A 91 14.048 -5.467 12.304 1.00 0.00 O ATOM 1363 CB ARG A 91 14.190 -2.589 13.954 1.00 0.00 C ATOM 1364 CG ARG A 91 12.849 -2.042 14.416 1.00 0.00 C ATOM 1365 CD ARG A 91 12.903 -1.587 15.866 1.00 0.00 C ATOM 1366 NE ARG A 91 12.617 -2.679 16.793 1.00 0.00 N ATOM 1367 CZ ARG A 91 12.958 -2.662 18.077 1.00 0.00 C ATOM 1368 NH1 ARG A 91 13.593 -1.614 18.583 1.00 0.00 N ATOM 1369 NH2 ARG A 91 12.662 -3.694 18.857 1.00 0.00 N ATOM 0 H ARG A 91 13.295 -1.221 12.112 1.00 0.00 H new ATOM 0 HA ARG A 91 15.214 -3.235 12.178 1.00 0.00 H new ATOM 0 HB2 ARG A 91 14.480 -3.413 14.605 1.00 0.00 H new ATOM 0 HB3 ARG A 91 14.947 -1.813 14.065 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.558 -1.205 13.781 1.00 0.00 H new ATOM 0 HG3 ARG A 91 12.083 -2.809 14.302 1.00 0.00 H new ATOM 0 HD2 ARG A 91 13.890 -1.178 16.081 1.00 0.00 H new ATOM 0 HD3 ARG A 91 12.184 -0.782 16.021 1.00 0.00 H new ATOM 0 HE ARG A 91 12.129 -3.500 16.435 1.00 0.00 H new ATOM 0 HH11 ARG A 91 13.821 -0.819 17.986 1.00 0.00 H new ATOM 0 HH12 ARG A 91 13.854 -1.603 19.569 1.00 0.00 H new ATOM 0 HH21 ARG A 91 12.172 -4.501 18.471 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.924 -3.680 19.843 1.00 0.00 H new ATOM 1383 N LEU A 92 12.111 -4.330 12.434 1.00 0.00 N ATOM 1384 CA LEU A 92 11.277 -5.524 12.347 1.00 0.00 C ATOM 1385 C LEU A 92 11.559 -6.292 11.060 1.00 0.00 C ATOM 1386 O LEU A 92 11.343 -5.781 9.961 1.00 0.00 O ATOM 1387 CB LEU A 92 9.797 -5.143 12.414 1.00 0.00 C ATOM 1388 CG LEU A 92 9.267 -4.750 13.793 1.00 0.00 C ATOM 1389 CD1 LEU A 92 7.982 -3.947 13.662 1.00 0.00 C ATOM 1390 CD2 LEU A 92 9.040 -5.987 14.650 1.00 0.00 C ATOM 0 H LEU A 92 11.590 -3.457 12.517 1.00 0.00 H new ATOM 0 HA LEU A 92 11.518 -6.168 13.193 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.625 -4.312 11.730 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.209 -5.984 12.047 1.00 0.00 H new ATOM 0 HG LEU A 92 10.014 -4.125 14.283 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.620 -3.676 14.654 1.00 0.00 H new ATOM 0 HD12 LEU A 92 8.176 -3.042 13.087 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.229 -4.547 13.152 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.663 -5.688 15.628 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.313 -6.638 14.164 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.981 -6.522 14.773 1.00 0.00 H new ATOM 1402 N ARG A 93 12.039 -7.523 11.205 1.00 0.00 N ATOM 1403 CA ARG A 93 12.349 -8.362 10.053 1.00 0.00 C ATOM 1404 C ARG A 93 11.263 -8.245 8.988 1.00 0.00 C ATOM 1405 O ARG A 93 11.553 -8.238 7.792 1.00 0.00 O ATOM 1406 CB ARG A 93 12.499 -9.822 10.486 1.00 0.00 C ATOM 1407 CG ARG A 93 12.699 -10.783 9.325 1.00 0.00 C ATOM 1408 CD ARG A 93 14.079 -10.631 8.707 1.00 0.00 C ATOM 1409 NE ARG A 93 15.078 -11.451 9.388 1.00 0.00 N ATOM 1410 CZ ARG A 93 16.372 -11.430 9.092 1.00 0.00 C ATOM 1411 NH1 ARG A 93 16.823 -10.635 8.131 1.00 0.00 N ATOM 1412 NH2 ARG A 93 17.219 -12.205 9.757 1.00 0.00 N ATOM 0 H ARG A 93 12.222 -7.961 12.108 1.00 0.00 H new ATOM 0 HA ARG A 93 13.291 -8.018 9.626 1.00 0.00 H new ATOM 0 HB2 ARG A 93 13.347 -9.905 11.166 1.00 0.00 H new ATOM 0 HB3 ARG A 93 11.612 -10.120 11.045 1.00 0.00 H new ATOM 0 HG2 ARG A 93 12.566 -11.808 9.672 1.00 0.00 H new ATOM 0 HG3 ARG A 93 11.938 -10.602 8.566 1.00 0.00 H new ATOM 0 HD2 ARG A 93 14.037 -10.911 7.654 1.00 0.00 H new ATOM 0 HD3 ARG A 93 14.381 -9.584 8.747 1.00 0.00 H new ATOM 0 HE ARG A 93 14.764 -12.074 10.132 1.00 0.00 H new ATOM 0 HH11 ARG A 93 16.175 -10.038 7.617 1.00 0.00 H new ATOM 0 HH12 ARG A 93 17.818 -10.621 7.906 1.00 0.00 H new ATOM 0 HH21 ARG A 93 16.876 -12.818 10.497 1.00 0.00 H new ATOM 0 HH22 ARG A 93 18.213 -12.188 9.529 1.00 0.00 H new ATOM 1426 N GLU A 94 10.013 -8.155 9.431 1.00 0.00 N ATOM 1427 CA GLU A 94 8.885 -8.040 8.514 1.00 0.00 C ATOM 1428 C GLU A 94 7.703 -7.350 9.190 1.00 0.00 C ATOM 1429 O GLU A 94 7.445 -7.531 10.380 1.00 0.00 O ATOM 1430 CB GLU A 94 8.464 -9.422 8.012 1.00 0.00 C ATOM 1431 CG GLU A 94 7.875 -10.310 9.096 1.00 0.00 C ATOM 1432 CD GLU A 94 7.811 -11.768 8.685 1.00 0.00 C ATOM 1433 OE1 GLU A 94 6.875 -12.135 7.944 1.00 0.00 O ATOM 1434 OE2 GLU A 94 8.697 -12.542 9.103 1.00 0.00 O ATOM 0 H GLU A 94 9.756 -8.159 10.418 1.00 0.00 H new ATOM 0 HA GLU A 94 9.200 -7.434 7.665 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.731 -9.302 7.214 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.330 -9.920 7.576 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.475 -10.218 10.002 1.00 0.00 H new ATOM 0 HG3 GLU A 94 6.872 -9.961 9.341 1.00 0.00 H new ATOM 1441 N PRO A 95 6.967 -6.541 8.414 1.00 0.00 N ATOM 1442 CA PRO A 95 5.801 -5.808 8.915 1.00 0.00 C ATOM 1443 C PRO A 95 4.629 -6.731 9.232 1.00 0.00 C ATOM 1444 O PRO A 95 4.374 -7.696 8.511 1.00 0.00 O ATOM 1445 CB PRO A 95 5.446 -4.872 7.757 1.00 0.00 C ATOM 1446 CG PRO A 95 5.979 -5.551 6.543 1.00 0.00 C ATOM 1447 CD PRO A 95 7.217 -6.279 6.986 1.00 0.00 C ATOM 0 HA PRO A 95 6.016 -5.290 9.850 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.369 -4.722 7.686 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.897 -3.889 7.891 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.246 -6.244 6.130 1.00 0.00 H new ATOM 0 HG3 PRO A 95 6.210 -4.828 5.761 1.00 0.00 H new ATOM 0 HD2 PRO A 95 7.361 -7.204 6.427 1.00 0.00 H new ATOM 0 HD3 PRO A 95 8.112 -5.675 6.839 1.00 0.00 H new ATOM 1455 N ASP A 96 3.919 -6.428 10.313 1.00 0.00 N ATOM 1456 CA ASP A 96 2.773 -7.230 10.725 1.00 0.00 C ATOM 1457 C ASP A 96 1.628 -7.093 9.726 1.00 0.00 C ATOM 1458 O ASP A 96 1.072 -6.009 9.549 1.00 0.00 O ATOM 1459 CB ASP A 96 2.303 -6.809 12.118 1.00 0.00 C ATOM 1460 CG ASP A 96 2.994 -7.588 13.221 1.00 0.00 C ATOM 1461 OD1 ASP A 96 3.123 -8.823 13.085 1.00 0.00 O ATOM 1462 OD2 ASP A 96 3.405 -6.962 14.220 1.00 0.00 O ATOM 0 H ASP A 96 4.117 -5.633 10.920 1.00 0.00 H new ATOM 0 HA ASP A 96 3.083 -8.274 10.755 1.00 0.00 H new ATOM 0 HB2 ASP A 96 2.492 -5.744 12.256 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.225 -6.954 12.194 1.00 0.00 H new ATOM 1467 N TRP A 97 1.282 -8.198 9.076 1.00 0.00 N ATOM 1468 CA TRP A 97 0.204 -8.201 8.094 1.00 0.00 C ATOM 1469 C TRP A 97 -1.013 -7.448 8.619 1.00 0.00 C ATOM 1470 O TRP A 97 -1.595 -6.621 7.917 1.00 0.00 O ATOM 1471 CB TRP A 97 -0.185 -9.637 7.737 1.00 0.00 C ATOM 1472 CG TRP A 97 -0.511 -10.479 8.933 1.00 0.00 C ATOM 1473 CD1 TRP A 97 0.368 -11.193 9.698 1.00 0.00 C ATOM 1474 CD2 TRP A 97 -1.808 -10.697 9.500 1.00 0.00 C ATOM 1475 NE1 TRP A 97 -0.305 -11.840 10.706 1.00 0.00 N ATOM 1476 CE2 TRP A 97 -1.640 -11.552 10.607 1.00 0.00 C ATOM 1477 CE3 TRP A 97 -3.093 -10.251 9.182 1.00 0.00 C ATOM 1478 CZ2 TRP A 97 -2.711 -11.969 11.393 1.00 0.00 C ATOM 1479 CZ3 TRP A 97 -4.155 -10.666 9.963 1.00 0.00 C ATOM 1480 CH2 TRP A 97 -3.958 -11.517 11.059 1.00 0.00 C ATOM 0 H TRP A 97 1.732 -9.103 9.211 1.00 0.00 H new ATOM 0 HA TRP A 97 0.562 -7.695 7.197 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -1.047 -9.617 7.070 1.00 0.00 H new ATOM 0 HB3 TRP A 97 0.633 -10.101 7.187 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.434 -11.242 9.534 1.00 0.00 H new ATOM 0 HE1 TRP A 97 0.121 -12.438 11.414 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -3.254 -9.593 8.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -2.562 -12.626 12.237 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -5.153 -10.329 9.725 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -4.808 -11.822 11.652 1.00 0.00 H new ATOM 1491 N LYS A 98 -1.394 -7.739 9.859 1.00 0.00 N ATOM 1492 CA LYS A 98 -2.541 -7.088 10.480 1.00 0.00 C ATOM 1493 C LYS A 98 -2.504 -5.581 10.247 1.00 0.00 C ATOM 1494 O LYS A 98 -3.514 -4.973 9.890 1.00 0.00 O ATOM 1495 CB LYS A 98 -2.570 -7.382 11.981 1.00 0.00 C ATOM 1496 CG LYS A 98 -2.971 -8.809 12.314 1.00 0.00 C ATOM 1497 CD LYS A 98 -3.155 -9.002 13.810 1.00 0.00 C ATOM 1498 CE LYS A 98 -3.865 -10.311 14.120 1.00 0.00 C ATOM 1499 NZ LYS A 98 -5.346 -10.166 14.061 1.00 0.00 N ATOM 0 H LYS A 98 -0.924 -8.422 10.453 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.445 -7.487 10.021 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.584 -7.183 12.401 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.266 -6.696 12.464 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.898 -9.057 11.797 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.208 -9.497 11.949 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.182 -8.989 14.302 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.729 -8.170 14.217 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.546 -11.074 13.410 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.573 -10.657 15.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.793 -11.080 14.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.653 -9.456 14.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.627 -9.861 13.107 1.00 0.00 H new ATOM 1513 N CYS A 99 -1.334 -4.985 10.449 1.00 0.00 N ATOM 1514 CA CYS A 99 -1.166 -3.548 10.260 1.00 0.00 C ATOM 1515 C CYS A 99 -1.158 -3.192 8.777 1.00 0.00 C ATOM 1516 O CYS A 99 -2.014 -2.445 8.302 1.00 0.00 O ATOM 1517 CB CYS A 99 0.132 -3.075 10.917 1.00 0.00 C ATOM 1518 SG CYS A 99 0.081 -3.063 12.725 1.00 0.00 S ATOM 0 H CYS A 99 -0.488 -5.474 10.743 1.00 0.00 H new ATOM 0 HA CYS A 99 -2.009 -3.043 10.732 1.00 0.00 H new ATOM 0 HB2 CYS A 99 0.948 -3.720 10.591 1.00 0.00 H new ATOM 0 HB3 CYS A 99 0.360 -2.069 10.564 1.00 0.00 H new ATOM 0 HG CYS A 99 1.224 -2.651 13.189 1.00 0.00 H new ATOM 1524 N VAL A 100 -0.184 -3.730 8.050 1.00 0.00 N ATOM 1525 CA VAL A 100 -0.064 -3.469 6.620 1.00 0.00 C ATOM 1526 C VAL A 100 -1.428 -3.495 5.940 1.00 0.00 C ATOM 1527 O VAL A 100 -1.835 -2.522 5.305 1.00 0.00 O ATOM 1528 CB VAL A 100 0.858 -4.497 5.937 1.00 0.00 C ATOM 1529 CG1 VAL A 100 0.978 -4.201 4.450 1.00 0.00 C ATOM 1530 CG2 VAL A 100 2.227 -4.506 6.600 1.00 0.00 C ATOM 0 H VAL A 100 0.533 -4.349 8.427 1.00 0.00 H new ATOM 0 HA VAL A 100 0.372 -2.475 6.515 1.00 0.00 H new ATOM 0 HB VAL A 100 0.418 -5.488 6.051 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.633 -4.937 3.984 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -0.008 -4.249 3.989 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.395 -3.204 4.310 1.00 0.00 H new ATOM 0 HG21 VAL A 100 2.866 -5.238 6.105 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.677 -3.517 6.518 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.120 -4.770 7.652 1.00 0.00 H new ATOM 1540 N TYR A 101 -2.130 -4.614 6.078 1.00 0.00 N ATOM 1541 CA TYR A 101 -3.448 -4.769 5.475 1.00 0.00 C ATOM 1542 C TYR A 101 -4.329 -3.559 5.773 1.00 0.00 C ATOM 1543 O TYR A 101 -5.053 -3.073 4.903 1.00 0.00 O ATOM 1544 CB TYR A 101 -4.121 -6.042 5.989 1.00 0.00 C ATOM 1545 CG TYR A 101 -5.629 -6.017 5.878 1.00 0.00 C ATOM 1546 CD1 TYR A 101 -6.413 -5.507 6.905 1.00 0.00 C ATOM 1547 CD2 TYR A 101 -6.270 -6.504 4.744 1.00 0.00 C ATOM 1548 CE1 TYR A 101 -7.791 -5.484 6.808 1.00 0.00 C ATOM 1549 CE2 TYR A 101 -7.647 -6.482 4.638 1.00 0.00 C ATOM 1550 CZ TYR A 101 -8.403 -5.972 5.672 1.00 0.00 C ATOM 1551 OH TYR A 101 -9.775 -5.949 5.571 1.00 0.00 O ATOM 0 H TYR A 101 -1.808 -5.427 6.602 1.00 0.00 H new ATOM 0 HA TYR A 101 -3.319 -4.845 4.395 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -3.738 -6.896 5.431 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.844 -6.193 7.032 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -5.937 -5.122 7.795 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -5.681 -6.906 3.933 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.386 -5.086 7.617 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.129 -6.862 3.750 1.00 0.00 H new ATOM 0 HH TYR A 101 -10.043 -5.286 4.901 1.00 0.00 H new ATOM 1561 N THR A 102 -4.260 -3.076 7.009 1.00 0.00 N ATOM 1562 CA THR A 102 -5.050 -1.923 7.424 1.00 0.00 C ATOM 1563 C THR A 102 -4.729 -0.701 6.572 1.00 0.00 C ATOM 1564 O THR A 102 -5.603 -0.154 5.900 1.00 0.00 O ATOM 1565 CB THR A 102 -4.807 -1.580 8.906 1.00 0.00 C ATOM 1566 OG1 THR A 102 -5.015 -2.741 9.718 1.00 0.00 O ATOM 1567 CG2 THR A 102 -5.735 -0.464 9.362 1.00 0.00 C ATOM 0 H THR A 102 -3.665 -3.465 7.741 1.00 0.00 H new ATOM 0 HA THR A 102 -6.097 -2.192 7.288 1.00 0.00 H new ATOM 0 HB THR A 102 -3.776 -1.242 9.014 1.00 0.00 H new ATOM 0 HG1 THR A 102 -4.270 -3.366 9.593 1.00 0.00 H new ATOM 0 HG21 THR A 102 -5.545 -0.239 10.411 1.00 0.00 H new ATOM 0 HG22 THR A 102 -5.555 0.427 8.761 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.771 -0.780 9.240 1.00 0.00 H new ATOM 1575 N TYR A 103 -3.470 -0.277 6.605 1.00 0.00 N ATOM 1576 CA TYR A 103 -3.034 0.882 5.836 1.00 0.00 C ATOM 1577 C TYR A 103 -3.593 0.837 4.417 1.00 0.00 C ATOM 1578 O TYR A 103 -4.234 1.785 3.961 1.00 0.00 O ATOM 1579 CB TYR A 103 -1.506 0.946 5.792 1.00 0.00 C ATOM 1580 CG TYR A 103 -0.972 2.071 4.936 1.00 0.00 C ATOM 1581 CD1 TYR A 103 -0.815 3.351 5.454 1.00 0.00 C ATOM 1582 CD2 TYR A 103 -0.622 1.855 3.608 1.00 0.00 C ATOM 1583 CE1 TYR A 103 -0.327 4.382 4.675 1.00 0.00 C ATOM 1584 CE2 TYR A 103 -0.133 2.880 2.822 1.00 0.00 C ATOM 1585 CZ TYR A 103 0.012 4.142 3.360 1.00 0.00 C ATOM 1586 OH TYR A 103 0.500 5.166 2.581 1.00 0.00 O ATOM 0 H TYR A 103 -2.734 -0.719 7.156 1.00 0.00 H new ATOM 0 HA TYR A 103 -3.415 1.777 6.329 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -1.126 1.061 6.807 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -1.122 -0.001 5.414 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -1.079 3.543 6.483 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -0.734 0.868 3.183 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -0.212 5.371 5.094 1.00 0.00 H new ATOM 0 HE2 TYR A 103 0.134 2.695 1.792 1.00 0.00 H new ATOM 0 HH TYR A 103 0.691 4.830 1.681 1.00 0.00 H new ATOM 1596 N ILE A 104 -3.347 -0.270 3.726 1.00 0.00 N ATOM 1597 CA ILE A 104 -3.827 -0.440 2.360 1.00 0.00 C ATOM 1598 C ILE A 104 -5.317 -0.133 2.259 1.00 0.00 C ATOM 1599 O ILE A 104 -5.770 0.478 1.291 1.00 0.00 O ATOM 1600 CB ILE A 104 -3.574 -1.871 1.849 1.00 0.00 C ATOM 1601 CG1 ILE A 104 -2.085 -2.211 1.937 1.00 0.00 C ATOM 1602 CG2 ILE A 104 -4.072 -2.018 0.419 1.00 0.00 C ATOM 1603 CD1 ILE A 104 -1.230 -1.442 0.954 1.00 0.00 C ATOM 0 H ILE A 104 -2.818 -1.063 4.089 1.00 0.00 H new ATOM 0 HA ILE A 104 -3.271 0.263 1.740 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.125 -2.569 2.479 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.733 -2.008 2.949 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -1.954 -3.279 1.763 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -3.886 -3.034 0.072 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.142 -1.812 0.383 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -3.545 -1.313 -0.224 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.187 -1.734 1.073 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -1.555 -1.664 -0.062 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.331 -0.373 1.142 1.00 0.00 H new ATOM 1615 N GLN A 105 -6.074 -0.558 3.266 1.00 0.00 N ATOM 1616 CA GLN A 105 -7.513 -0.327 3.290 1.00 0.00 C ATOM 1617 C GLN A 105 -7.824 1.143 3.548 1.00 0.00 C ATOM 1618 O GLN A 105 -8.612 1.756 2.829 1.00 0.00 O ATOM 1619 CB GLN A 105 -8.172 -1.196 4.363 1.00 0.00 C ATOM 1620 CG GLN A 105 -9.644 -0.882 4.581 1.00 0.00 C ATOM 1621 CD GLN A 105 -10.530 -1.465 3.498 1.00 0.00 C ATOM 1622 OE1 GLN A 105 -10.048 -2.093 2.555 1.00 0.00 O ATOM 1623 NE2 GLN A 105 -11.836 -1.260 3.628 1.00 0.00 N ATOM 0 H GLN A 105 -5.714 -1.064 4.075 1.00 0.00 H new ATOM 0 HA GLN A 105 -7.916 -0.599 2.314 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.070 -2.244 4.083 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.638 -1.064 5.304 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -9.956 -1.273 5.550 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -9.780 0.199 4.614 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -12.193 -0.734 4.426 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -12.482 -1.629 2.930 1.00 0.00 H new ATOM 1632 N GLU A 106 -7.199 1.704 4.579 1.00 0.00 N ATOM 1633 CA GLU A 106 -7.411 3.103 4.931 1.00 0.00 C ATOM 1634 C GLU A 106 -7.092 4.015 3.750 1.00 0.00 C ATOM 1635 O GLU A 106 -7.929 4.811 3.323 1.00 0.00 O ATOM 1636 CB GLU A 106 -6.545 3.486 6.134 1.00 0.00 C ATOM 1637 CG GLU A 106 -6.787 4.900 6.632 1.00 0.00 C ATOM 1638 CD GLU A 106 -8.203 5.108 7.134 1.00 0.00 C ATOM 1639 OE1 GLU A 106 -9.137 5.081 6.306 1.00 0.00 O ATOM 1640 OE2 GLU A 106 -8.376 5.297 8.357 1.00 0.00 O ATOM 0 H GLU A 106 -6.542 1.211 5.184 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.461 3.230 5.193 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.737 2.786 6.947 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.494 3.380 5.863 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -6.084 5.124 7.435 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.584 5.605 5.826 1.00 0.00 H new ATOM 1647 N PHE A 107 -5.877 3.894 3.228 1.00 0.00 N ATOM 1648 CA PHE A 107 -5.446 4.709 2.097 1.00 0.00 C ATOM 1649 C PHE A 107 -6.406 4.558 0.921 1.00 0.00 C ATOM 1650 O PHE A 107 -6.914 5.545 0.389 1.00 0.00 O ATOM 1651 CB PHE A 107 -4.031 4.317 1.669 1.00 0.00 C ATOM 1652 CG PHE A 107 -3.405 5.287 0.708 1.00 0.00 C ATOM 1653 CD1 PHE A 107 -3.192 6.606 1.075 1.00 0.00 C ATOM 1654 CD2 PHE A 107 -3.029 4.880 -0.562 1.00 0.00 C ATOM 1655 CE1 PHE A 107 -2.616 7.502 0.193 1.00 0.00 C ATOM 1656 CE2 PHE A 107 -2.452 5.771 -1.448 1.00 0.00 C ATOM 1657 CZ PHE A 107 -2.247 7.083 -1.070 1.00 0.00 C ATOM 0 H PHE A 107 -5.173 3.240 3.569 1.00 0.00 H new ATOM 0 HA PHE A 107 -5.447 5.753 2.412 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -3.401 4.238 2.555 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.060 3.329 1.209 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -3.479 6.938 2.062 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.188 3.855 -0.863 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.455 8.527 0.491 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -2.162 5.441 -2.435 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.798 7.781 -1.761 1.00 0.00 H new ATOM 1667 N TYR A 108 -6.650 3.315 0.520 1.00 0.00 N ATOM 1668 CA TYR A 108 -7.546 3.033 -0.595 1.00 0.00 C ATOM 1669 C TYR A 108 -8.802 3.895 -0.515 1.00 0.00 C ATOM 1670 O TYR A 108 -9.217 4.500 -1.504 1.00 0.00 O ATOM 1671 CB TYR A 108 -7.930 1.552 -0.606 1.00 0.00 C ATOM 1672 CG TYR A 108 -8.855 1.176 -1.741 1.00 0.00 C ATOM 1673 CD1 TYR A 108 -10.229 1.353 -1.632 1.00 0.00 C ATOM 1674 CD2 TYR A 108 -8.356 0.643 -2.923 1.00 0.00 C ATOM 1675 CE1 TYR A 108 -11.078 1.009 -2.665 1.00 0.00 C ATOM 1676 CE2 TYR A 108 -9.197 0.298 -3.963 1.00 0.00 C ATOM 1677 CZ TYR A 108 -10.558 0.483 -3.829 1.00 0.00 C ATOM 1678 OH TYR A 108 -11.400 0.140 -4.862 1.00 0.00 O ATOM 0 H TYR A 108 -6.240 2.487 0.951 1.00 0.00 H new ATOM 0 HA TYR A 108 -7.021 3.272 -1.520 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -7.023 0.951 -0.673 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -8.409 1.302 0.341 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -10.640 1.767 -0.723 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -7.292 0.496 -3.031 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -12.144 1.151 -2.562 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -8.792 -0.114 -4.875 1.00 0.00 H new ATOM 0 HH TYR A 108 -10.874 -0.215 -5.609 1.00 0.00 H new ATOM 1688 N ARG A 109 -9.403 3.946 0.669 1.00 0.00 N ATOM 1689 CA ARG A 109 -10.612 4.733 0.880 1.00 0.00 C ATOM 1690 C ARG A 109 -10.395 6.185 0.464 1.00 0.00 C ATOM 1691 O ARG A 109 -11.275 6.809 -0.130 1.00 0.00 O ATOM 1692 CB ARG A 109 -11.038 4.670 2.348 1.00 0.00 C ATOM 1693 CG ARG A 109 -12.333 5.410 2.638 1.00 0.00 C ATOM 1694 CD ARG A 109 -13.056 4.818 3.838 1.00 0.00 C ATOM 1695 NE ARG A 109 -14.453 5.239 3.898 1.00 0.00 N ATOM 1696 CZ ARG A 109 -15.368 4.646 4.657 1.00 0.00 C ATOM 1697 NH1 ARG A 109 -15.034 3.613 5.418 1.00 0.00 N ATOM 1698 NH2 ARG A 109 -16.619 5.088 4.658 1.00 0.00 N ATOM 0 H ARG A 109 -9.072 3.451 1.497 1.00 0.00 H new ATOM 0 HA ARG A 109 -11.403 4.310 0.261 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -11.153 3.626 2.640 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -10.244 5.088 2.966 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -12.118 6.462 2.824 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -12.982 5.367 1.763 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -13.007 3.730 3.790 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -12.547 5.120 4.753 1.00 0.00 H new ATOM 0 HE ARG A 109 -14.742 6.032 3.326 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -14.073 3.272 5.422 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -15.738 3.159 6.000 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -16.879 5.884 4.076 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -17.321 4.632 5.241 1.00 0.00 H new ATOM 1712 N CYS A 110 -9.220 6.716 0.780 1.00 0.00 N ATOM 1713 CA CYS A 110 -8.887 8.095 0.441 1.00 0.00 C ATOM 1714 C CYS A 110 -8.944 8.312 -1.068 1.00 0.00 C ATOM 1715 O CYS A 110 -9.652 9.196 -1.552 1.00 0.00 O ATOM 1716 CB CYS A 110 -7.496 8.451 0.968 1.00 0.00 C ATOM 1717 SG CYS A 110 -7.337 8.340 2.765 1.00 0.00 S ATOM 0 H CYS A 110 -8.481 6.213 1.271 1.00 0.00 H new ATOM 0 HA CYS A 110 -9.623 8.747 0.912 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -6.764 7.787 0.508 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -7.249 9.465 0.654 1.00 0.00 H new ATOM 0 HG CYS A 110 -7.527 7.111 3.142 1.00 0.00 H new ATOM 1723 N LEU A 111 -8.193 7.502 -1.805 1.00 0.00 N ATOM 1724 CA LEU A 111 -8.156 7.607 -3.260 1.00 0.00 C ATOM 1725 C LEU A 111 -9.555 7.824 -3.826 1.00 0.00 C ATOM 1726 O LEU A 111 -9.771 8.711 -4.652 1.00 0.00 O ATOM 1727 CB LEU A 111 -7.539 6.345 -3.866 1.00 0.00 C ATOM 1728 CG LEU A 111 -6.268 5.828 -3.191 1.00 0.00 C ATOM 1729 CD1 LEU A 111 -5.719 4.622 -3.937 1.00 0.00 C ATOM 1730 CD2 LEU A 111 -5.221 6.930 -3.111 1.00 0.00 C ATOM 0 H LEU A 111 -7.602 6.766 -1.420 1.00 0.00 H new ATOM 0 HA LEU A 111 -7.541 8.468 -3.522 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -8.287 5.552 -3.843 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -7.315 6.542 -4.914 1.00 0.00 H new ATOM 0 HG LEU A 111 -6.519 5.518 -2.177 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.815 4.268 -3.442 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.465 3.827 -3.942 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.484 4.905 -4.963 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.323 6.545 -2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -4.974 7.271 -4.116 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -5.615 7.765 -2.531 1.00 0.00 H new ATOM 1742 N VAL A 112 -10.504 7.010 -3.375 1.00 0.00 N ATOM 1743 CA VAL A 112 -11.884 7.115 -3.833 1.00 0.00 C ATOM 1744 C VAL A 112 -12.410 8.537 -3.670 1.00 0.00 C ATOM 1745 O VAL A 112 -13.125 9.047 -4.532 1.00 0.00 O ATOM 1746 CB VAL A 112 -12.805 6.147 -3.068 1.00 0.00 C ATOM 1747 CG1 VAL A 112 -14.244 6.293 -3.540 1.00 0.00 C ATOM 1748 CG2 VAL A 112 -12.325 4.713 -3.232 1.00 0.00 C ATOM 0 H VAL A 112 -10.342 6.270 -2.692 1.00 0.00 H new ATOM 0 HA VAL A 112 -11.888 6.848 -4.890 1.00 0.00 H new ATOM 0 HB VAL A 112 -12.768 6.400 -2.008 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -14.880 5.601 -2.988 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -14.582 7.314 -3.366 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -14.302 6.068 -4.605 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -12.988 4.043 -2.685 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -12.331 4.446 -4.289 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -11.312 4.621 -2.840 1.00 0.00 H new ATOM 1758 N GLN A 113 -12.052 9.170 -2.558 1.00 0.00 N ATOM 1759 CA GLN A 113 -12.488 10.534 -2.282 1.00 0.00 C ATOM 1760 C GLN A 113 -11.897 11.511 -3.293 1.00 0.00 C ATOM 1761 O GLN A 113 -12.620 12.285 -3.920 1.00 0.00 O ATOM 1762 CB GLN A 113 -12.086 10.943 -0.864 1.00 0.00 C ATOM 1763 CG GLN A 113 -12.854 10.208 0.223 1.00 0.00 C ATOM 1764 CD GLN A 113 -12.536 10.723 1.613 1.00 0.00 C ATOM 1765 OE1 GLN A 113 -12.474 11.932 1.840 1.00 0.00 O ATOM 1766 NE2 GLN A 113 -12.333 9.807 2.552 1.00 0.00 N ATOM 0 H GLN A 113 -11.462 8.761 -1.834 1.00 0.00 H new ATOM 0 HA GLN A 113 -13.574 10.565 -2.368 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -11.020 10.760 -0.731 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -12.243 12.015 -0.746 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -13.923 10.309 0.038 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -12.621 9.145 0.172 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -12.394 8.816 2.319 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -12.116 10.094 3.506 1.00 0.00 H new ATOM 1775 N LYS A 114 -10.578 11.469 -3.446 1.00 0.00 N ATOM 1776 CA LYS A 114 -9.888 12.350 -4.381 1.00 0.00 C ATOM 1777 C LYS A 114 -10.377 12.118 -5.807 1.00 0.00 C ATOM 1778 O LYS A 114 -10.360 13.029 -6.635 1.00 0.00 O ATOM 1779 CB LYS A 114 -8.376 12.124 -4.306 1.00 0.00 C ATOM 1780 CG LYS A 114 -7.678 13.012 -3.291 1.00 0.00 C ATOM 1781 CD LYS A 114 -7.784 12.444 -1.886 1.00 0.00 C ATOM 1782 CE LYS A 114 -6.617 11.523 -1.567 1.00 0.00 C ATOM 1783 NZ LYS A 114 -6.740 10.212 -2.261 1.00 0.00 N ATOM 0 H LYS A 114 -9.965 10.834 -2.934 1.00 0.00 H new ATOM 0 HA LYS A 114 -10.109 13.380 -4.102 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -8.185 11.081 -4.055 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -7.942 12.300 -5.290 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.628 13.120 -3.562 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -8.118 14.009 -3.315 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -7.813 13.260 -1.164 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -8.720 11.895 -1.784 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -5.684 12.004 -1.861 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -6.566 11.361 -0.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -6.408 9.454 -1.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -7.735 10.044 -2.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -6.163 10.222 -3.126 1.00 0.00 H new ATOM 1797 N GLY A 115 -10.813 10.894 -6.088 1.00 0.00 N ATOM 1798 CA GLY A 115 -11.301 10.566 -7.414 1.00 0.00 C ATOM 1799 C GLY A 115 -10.264 9.846 -8.252 1.00 0.00 C ATOM 1800 O GLY A 115 -10.176 10.058 -9.463 1.00 0.00 O ATOM 0 H GLY A 115 -10.837 10.123 -5.420 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -12.190 9.941 -7.326 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -11.603 11.481 -7.923 1.00 0.00 H new ATOM 1804 N LEU A 116 -9.475 8.992 -7.609 1.00 0.00 N ATOM 1805 CA LEU A 116 -8.436 8.239 -8.303 1.00 0.00 C ATOM 1806 C LEU A 116 -8.938 6.852 -8.692 1.00 0.00 C ATOM 1807 O LEU A 116 -8.728 6.397 -9.817 1.00 0.00 O ATOM 1808 CB LEU A 116 -7.193 8.114 -7.421 1.00 0.00 C ATOM 1809 CG LEU A 116 -6.296 9.350 -7.348 1.00 0.00 C ATOM 1810 CD1 LEU A 116 -5.506 9.361 -6.048 1.00 0.00 C ATOM 1811 CD2 LEU A 116 -5.357 9.399 -8.545 1.00 0.00 C ATOM 0 H LEU A 116 -9.535 8.804 -6.608 1.00 0.00 H new ATOM 0 HA LEU A 116 -8.175 8.780 -9.212 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -7.513 7.862 -6.410 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -6.596 7.277 -7.785 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.930 10.237 -7.372 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.873 10.248 -6.014 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -6.195 9.374 -5.204 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -4.883 8.469 -5.994 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.726 10.285 -8.476 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -4.730 8.507 -8.553 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -5.941 9.440 -9.464 1.00 0.00 H new ATOM 1823 N VAL A 117 -9.605 6.185 -7.756 1.00 0.00 N ATOM 1824 CA VAL A 117 -10.141 4.851 -8.001 1.00 0.00 C ATOM 1825 C VAL A 117 -11.650 4.895 -8.213 1.00 0.00 C ATOM 1826 O VAL A 117 -12.370 5.586 -7.491 1.00 0.00 O ATOM 1827 CB VAL A 117 -9.825 3.896 -6.835 1.00 0.00 C ATOM 1828 CG1 VAL A 117 -10.408 2.517 -7.101 1.00 0.00 C ATOM 1829 CG2 VAL A 117 -8.323 3.813 -6.607 1.00 0.00 C ATOM 0 H VAL A 117 -9.787 6.547 -6.820 1.00 0.00 H new ATOM 0 HA VAL A 117 -9.661 4.479 -8.906 1.00 0.00 H new ATOM 0 HB VAL A 117 -10.286 4.291 -5.930 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -10.174 1.856 -6.266 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -11.490 2.594 -7.211 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -9.978 2.111 -8.017 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -8.118 3.134 -5.779 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -7.838 3.442 -7.510 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -7.936 4.804 -6.368 1.00 0.00 H new