USER MOD reduce.3.24.130724 H: found=0, std=0, add=1091, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1090 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 67 GLN : amide:sc= -8.53! C(o=-12!,f=-8.4!) USER MOD Set 1.2: A 101 MET CE :methyl -148:sc= -3.7! (180deg=-7.75!) USER MOD Set 2.1: A 41 GLN : amide:sc= -9.2! C(o=-13!,f=-12!) USER MOD Set 2.2: A 42 THR OG1 : rot 117:sc= -1.99! USER MOD Set 2.3: A 45 GLN : amide:sc= -2.26! K(o=-13!,f=-12) USER MOD Single : A 8 GLN : amide:sc= -5.56! C(o=-5.6!,f=-2.5!) USER MOD Single : A 10 SER OG : rot 75:sc= 0.66 USER MOD Single : A 11 LYS NZ :NH3+ 143:sc= 0.569 (180deg=-1.29!) USER MOD Single : A 14 ASN : amide:sc= -5.71! C(o=-5.7!,f=-10!) USER MOD Single : A 20 LYS NZ :NH3+ 161:sc= -8.23! (180deg=-9.01!) USER MOD Single : A 22 SER OG : rot -11:sc= -1.91! USER MOD Single : A 25 CYS SG : rot 76:sc= -0.0629 USER MOD Single : A 28 LYS NZ :NH3+ 163:sc=-0.00459 (180deg=-0.384) USER MOD Single : A 29 TYR OH : rot 180:sc=-0.000619 USER MOD Single : A 30 THR OG1 : rot -85:sc= 0.368 USER MOD Single : A 37 HIS : no HD1:sc= -0.0271 X(o=-0.027,f=-0.027) USER MOD Single : A 46 ASN : amide:sc= -6.02! C(o=-6!,f=-20!) USER MOD Single : A 48 CYS SG : rot -48:sc= -5.21! USER MOD Single : A 53 SER OG : rot 104:sc= 0.751! USER MOD Single : A 60 THR OG1 : rot 110:sc= -0.0234 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -2.25 K(o=-2.3,f=-3.8!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 108:sc= -0.44 USER MOD Single : A 74 GLN : amide:sc= 0.0279 K(o=0.028,f=-0.66) USER MOD Single : A 77 GLN : amide:sc= -6.98! K(o=-7!,f=-5.8) USER MOD Single : A 79 GLN : amide:sc= -5.04! C(o=-5!,f=-2.6!) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.502 USER MOD Single : A 82 SER OG : rot 180:sc= -0.0116 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 172:sc= -0.191 (180deg=-0.377) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -155:sc= -0.57 (180deg=-1.36) USER MOD Single : A 104 ASN : amide:sc= -0.0455 K(o=-0.046,f=-2.1!) USER MOD Single : A 107 CYS SG : rot -141:sc= -13.9! USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HE2:sc= -2.56 K(o=-2.6,f=-6!) USER MOD Single : A 122 MET CE :methyl -161:sc= -0.0529 (180deg=-0.577) USER MOD Single : A 124 CYS SG : rot 14:sc= 0.994 USER MOD Single : A 133 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 134 GLN : amide:sc= -0.241 K(o=-0.24,f=-1.3) USER MOD Single : A 140 GLN : amide:sc= -1.98 K(o=-2,f=-0.4) USER MOD Single : A 141 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 -16.772 -25.055 0.116 1.00 0.00 N ATOM 2 CA VAL A 4 -16.005 -24.066 -0.693 1.00 0.00 C ATOM 3 C VAL A 4 -15.066 -24.809 -1.639 1.00 0.00 C ATOM 4 O VAL A 4 -14.723 -25.952 -1.423 1.00 0.00 O ATOM 5 CB VAL A 4 -15.170 -23.163 0.226 1.00 0.00 C ATOM 6 CG1 VAL A 4 -14.718 -21.914 -0.543 1.00 0.00 C ATOM 7 CG2 VAL A 4 -16.001 -22.745 1.447 1.00 0.00 C ATOM 0 HA VAL A 4 -16.706 -23.454 -1.260 1.00 0.00 H new ATOM 0 HB VAL A 4 -14.293 -23.715 0.563 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -14.126 -21.277 0.114 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -14.114 -22.213 -1.400 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -15.593 -21.364 -0.890 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -15.401 -22.105 2.094 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -16.885 -22.200 1.116 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -16.308 -23.633 2.000 1.00 0.00 H new ATOM 17 N VAL A 5 -14.642 -24.164 -2.680 1.00 0.00 N ATOM 18 CA VAL A 5 -13.721 -24.832 -3.620 1.00 0.00 C ATOM 19 C VAL A 5 -12.348 -24.996 -2.938 1.00 0.00 C ATOM 20 O VAL A 5 -11.851 -24.070 -2.322 1.00 0.00 O ATOM 21 CB VAL A 5 -13.613 -23.970 -4.881 1.00 0.00 C ATOM 22 CG1 VAL A 5 -12.815 -22.709 -4.571 1.00 0.00 C ATOM 23 CG2 VAL A 5 -12.909 -24.759 -5.978 1.00 0.00 C ATOM 0 H VAL A 5 -14.894 -23.205 -2.919 1.00 0.00 H new ATOM 0 HA VAL A 5 -14.087 -25.820 -3.898 1.00 0.00 H new ATOM 0 HB VAL A 5 -14.613 -23.693 -5.216 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -12.739 -22.096 -5.469 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -13.319 -22.143 -3.788 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -11.816 -22.984 -4.234 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.832 -24.145 -6.876 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -11.910 -25.037 -5.642 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -13.480 -25.660 -6.202 1.00 0.00 H new ATOM 33 N PRO A 6 -11.737 -26.157 -3.028 1.00 0.00 N ATOM 34 CA PRO A 6 -10.411 -26.403 -2.393 1.00 0.00 C ATOM 35 C PRO A 6 -9.271 -25.764 -3.182 1.00 0.00 C ATOM 36 O PRO A 6 -8.116 -25.923 -2.856 1.00 0.00 O ATOM 37 CB PRO A 6 -10.297 -27.928 -2.409 1.00 0.00 C ATOM 38 CG PRO A 6 -11.050 -28.340 -3.626 1.00 0.00 C ATOM 39 CD PRO A 6 -12.219 -27.363 -3.731 1.00 0.00 C ATOM 0 HA PRO A 6 -10.340 -25.970 -1.395 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -9.256 -28.249 -2.457 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -10.725 -28.368 -1.508 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -10.418 -28.293 -4.513 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.403 -29.368 -3.540 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.468 -27.147 -4.770 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -13.119 -27.765 -3.265 1.00 0.00 H new ATOM 47 N ASP A 7 -9.574 -25.052 -4.221 1.00 0.00 N ATOM 48 CA ASP A 7 -8.464 -24.436 -5.005 1.00 0.00 C ATOM 49 C ASP A 7 -7.932 -23.193 -4.285 1.00 0.00 C ATOM 50 O ASP A 7 -6.913 -22.640 -4.652 1.00 0.00 O ATOM 51 CB ASP A 7 -8.951 -24.082 -6.419 1.00 0.00 C ATOM 52 CG ASP A 7 -9.759 -22.773 -6.438 1.00 0.00 C ATOM 53 OD1 ASP A 7 -9.886 -22.148 -5.407 1.00 0.00 O ATOM 54 OD2 ASP A 7 -10.231 -22.415 -7.501 1.00 0.00 O ATOM 0 H ASP A 7 -10.518 -24.868 -4.562 1.00 0.00 H new ATOM 0 HA ASP A 7 -7.649 -25.154 -5.091 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -8.093 -23.989 -7.085 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -9.567 -24.894 -6.804 1.00 0.00 H new ATOM 59 N GLN A 8 -8.607 -22.745 -3.265 1.00 0.00 N ATOM 60 CA GLN A 8 -8.118 -21.548 -2.532 1.00 0.00 C ATOM 61 C GLN A 8 -7.002 -21.995 -1.588 1.00 0.00 C ATOM 62 O GLN A 8 -5.846 -21.659 -1.743 1.00 0.00 O ATOM 63 CB GLN A 8 -9.249 -20.970 -1.678 1.00 0.00 C ATOM 64 CG GLN A 8 -10.527 -20.841 -2.492 1.00 0.00 C ATOM 65 CD GLN A 8 -10.340 -19.864 -3.650 1.00 0.00 C ATOM 66 OE1 GLN A 8 -9.689 -18.850 -3.513 1.00 0.00 O ATOM 67 NE2 GLN A 8 -10.926 -20.120 -4.785 1.00 0.00 N ATOM 0 H GLN A 8 -9.471 -23.154 -2.909 1.00 0.00 H new ATOM 0 HA GLN A 8 -7.767 -20.799 -3.242 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -9.425 -21.613 -0.816 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -8.957 -19.993 -1.293 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.817 -21.818 -2.879 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.339 -20.499 -1.850 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -11.472 -20.974 -4.896 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -10.838 -19.466 -5.563 1.00 0.00 H new ATOM 76 N ARG A 9 -7.374 -22.752 -0.595 1.00 0.00 N ATOM 77 CA ARG A 9 -6.393 -23.251 0.403 1.00 0.00 C ATOM 78 C ARG A 9 -5.205 -23.919 -0.289 1.00 0.00 C ATOM 79 O ARG A 9 -4.100 -23.911 0.215 1.00 0.00 O ATOM 80 CB ARG A 9 -7.096 -24.264 1.316 1.00 0.00 C ATOM 81 CG ARG A 9 -8.217 -23.569 2.100 1.00 0.00 C ATOM 82 CD ARG A 9 -8.841 -24.570 3.086 1.00 0.00 C ATOM 83 NE ARG A 9 -7.873 -24.879 4.172 1.00 0.00 N ATOM 84 CZ ARG A 9 -8.274 -25.545 5.228 1.00 0.00 C ATOM 85 NH1 ARG A 9 -9.516 -25.935 5.315 1.00 0.00 N ATOM 86 NH2 ARG A 9 -7.432 -25.830 6.186 1.00 0.00 N ATOM 0 H ARG A 9 -8.335 -23.051 -0.431 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.017 -22.411 0.987 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -7.508 -25.079 0.721 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.377 -24.705 2.006 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.820 -22.709 2.639 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -8.977 -23.193 1.415 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -9.756 -24.155 3.509 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -9.118 -25.485 2.563 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.902 -24.575 4.096 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -10.171 -25.722 4.563 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -9.832 -26.453 6.135 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -6.458 -25.534 6.114 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.748 -26.348 7.006 1.00 0.00 H new ATOM 100 N SER A 10 -5.427 -24.529 -1.412 1.00 0.00 N ATOM 101 CA SER A 10 -4.314 -25.238 -2.110 1.00 0.00 C ATOM 102 C SER A 10 -3.198 -24.281 -2.552 1.00 0.00 C ATOM 103 O SER A 10 -2.032 -24.533 -2.315 1.00 0.00 O ATOM 104 CB SER A 10 -4.879 -25.943 -3.337 1.00 0.00 C ATOM 105 OG SER A 10 -5.955 -26.780 -2.939 1.00 0.00 O ATOM 0 H SER A 10 -6.331 -24.571 -1.883 1.00 0.00 H new ATOM 0 HA SER A 10 -3.878 -25.950 -1.409 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.223 -25.210 -4.066 1.00 0.00 H new ATOM 0 HB3 SER A 10 -4.102 -26.534 -3.822 1.00 0.00 H new ATOM 0 HG SER A 10 -6.741 -26.230 -2.740 1.00 0.00 H new ATOM 111 N LYS A 11 -3.513 -23.203 -3.203 1.00 0.00 N ATOM 112 CA LYS A 11 -2.424 -22.291 -3.643 1.00 0.00 C ATOM 113 C LYS A 11 -1.753 -21.651 -2.435 1.00 0.00 C ATOM 114 O LYS A 11 -0.549 -21.512 -2.383 1.00 0.00 O ATOM 115 CB LYS A 11 -2.982 -21.197 -4.558 1.00 0.00 C ATOM 116 CG LYS A 11 -4.257 -20.589 -3.950 1.00 0.00 C ATOM 117 CD LYS A 11 -4.756 -19.417 -4.820 1.00 0.00 C ATOM 118 CE LYS A 11 -5.624 -19.936 -5.980 1.00 0.00 C ATOM 119 NZ LYS A 11 -7.029 -20.104 -5.506 1.00 0.00 N ATOM 0 H LYS A 11 -4.460 -22.915 -3.448 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.688 -22.876 -4.195 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.233 -20.418 -4.703 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.203 -21.614 -5.541 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.032 -21.352 -3.875 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.055 -20.239 -2.938 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.333 -18.723 -4.209 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.905 -18.862 -5.215 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.591 -19.237 -6.816 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.234 -20.887 -6.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.686 -19.837 -6.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.190 -21.097 -5.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.191 -19.496 -4.678 1.00 0.00 H new ATOM 133 N PHE A 12 -2.518 -21.267 -1.461 1.00 0.00 N ATOM 134 CA PHE A 12 -1.927 -20.624 -0.260 1.00 0.00 C ATOM 135 C PHE A 12 -0.948 -21.579 0.427 1.00 0.00 C ATOM 136 O PHE A 12 0.124 -21.182 0.839 1.00 0.00 O ATOM 137 CB PHE A 12 -3.062 -20.265 0.699 1.00 0.00 C ATOM 138 CG PHE A 12 -2.536 -19.543 1.928 1.00 0.00 C ATOM 139 CD1 PHE A 12 -1.920 -20.264 2.963 1.00 0.00 C ATOM 140 CD2 PHE A 12 -2.706 -18.155 2.052 1.00 0.00 C ATOM 141 CE1 PHE A 12 -1.467 -19.598 4.111 1.00 0.00 C ATOM 142 CE2 PHE A 12 -2.260 -17.491 3.204 1.00 0.00 C ATOM 143 CZ PHE A 12 -1.638 -18.212 4.232 1.00 0.00 C ATOM 0 H PHE A 12 -3.533 -21.370 -1.443 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.381 -19.727 -0.552 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.788 -19.634 0.187 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.585 -21.172 1.003 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.795 -21.333 2.875 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.181 -17.597 1.259 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.986 -20.153 4.903 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.396 -16.424 3.299 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.290 -17.700 5.117 1.00 0.00 H new ATOM 153 N GLU A 13 -1.313 -22.828 0.583 1.00 0.00 N ATOM 154 CA GLU A 13 -0.399 -23.782 1.284 1.00 0.00 C ATOM 155 C GLU A 13 0.768 -24.250 0.391 1.00 0.00 C ATOM 156 O GLU A 13 1.852 -24.500 0.879 1.00 0.00 O ATOM 157 CB GLU A 13 -1.191 -25.004 1.766 1.00 0.00 C ATOM 158 CG GLU A 13 -1.630 -25.839 0.569 1.00 0.00 C ATOM 159 CD GLU A 13 -2.617 -26.908 1.033 1.00 0.00 C ATOM 160 OE1 GLU A 13 -2.187 -27.830 1.702 1.00 0.00 O ATOM 161 OE2 GLU A 13 -3.790 -26.789 0.716 1.00 0.00 O ATOM 0 H GLU A 13 -2.195 -23.225 0.259 1.00 0.00 H new ATOM 0 HA GLU A 13 0.030 -23.248 2.132 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.577 -25.606 2.435 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.063 -24.682 2.336 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.094 -25.201 -0.183 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.764 -26.306 0.100 1.00 0.00 H new ATOM 168 N ASN A 14 0.548 -24.434 -0.901 1.00 0.00 N ATOM 169 CA ASN A 14 1.648 -24.961 -1.793 1.00 0.00 C ATOM 170 C ASN A 14 2.221 -23.909 -2.755 1.00 0.00 C ATOM 171 O ASN A 14 3.249 -24.135 -3.358 1.00 0.00 O ATOM 172 CB ASN A 14 1.097 -26.127 -2.619 1.00 0.00 C ATOM 173 CG ASN A 14 0.061 -25.620 -3.625 1.00 0.00 C ATOM 174 OD1 ASN A 14 0.279 -24.640 -4.312 1.00 0.00 O ATOM 175 ND2 ASN A 14 -1.068 -26.259 -3.741 1.00 0.00 N ATOM 0 H ASN A 14 -0.337 -24.244 -1.372 1.00 0.00 H new ATOM 0 HA ASN A 14 2.462 -25.271 -1.138 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.911 -26.626 -3.145 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.643 -26.866 -1.960 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.770 -25.938 -4.408 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.250 -27.081 -3.165 1.00 0.00 H new ATOM 182 N GLU A 15 1.590 -22.782 -2.941 1.00 0.00 N ATOM 183 CA GLU A 15 2.172 -21.802 -3.907 1.00 0.00 C ATOM 184 C GLU A 15 3.360 -21.061 -3.258 1.00 0.00 C ATOM 185 O GLU A 15 3.249 -20.503 -2.186 1.00 0.00 O ATOM 186 CB GLU A 15 1.105 -20.795 -4.326 1.00 0.00 C ATOM 187 CG GLU A 15 1.631 -19.997 -5.511 1.00 0.00 C ATOM 188 CD GLU A 15 0.654 -18.877 -5.830 1.00 0.00 C ATOM 189 OE1 GLU A 15 -0.263 -18.678 -5.049 1.00 0.00 O ATOM 190 OE2 GLU A 15 0.828 -18.241 -6.855 1.00 0.00 O ATOM 0 H GLU A 15 0.723 -22.501 -2.483 1.00 0.00 H new ATOM 0 HA GLU A 15 2.526 -22.339 -4.787 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.183 -21.310 -4.596 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.867 -20.129 -3.497 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.613 -19.585 -5.280 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.754 -20.647 -6.377 1.00 0.00 H new ATOM 197 N GLU A 16 4.506 -21.072 -3.905 1.00 0.00 N ATOM 198 CA GLU A 16 5.719 -20.386 -3.343 1.00 0.00 C ATOM 199 C GLU A 16 5.742 -18.887 -3.695 1.00 0.00 C ATOM 200 O GLU A 16 6.546 -18.145 -3.170 1.00 0.00 O ATOM 201 CB GLU A 16 6.987 -21.046 -3.898 1.00 0.00 C ATOM 202 CG GLU A 16 7.111 -22.482 -3.377 1.00 0.00 C ATOM 203 CD GLU A 16 8.434 -23.091 -3.854 1.00 0.00 C ATOM 204 OE1 GLU A 16 9.071 -22.493 -4.707 1.00 0.00 O ATOM 205 OE2 GLU A 16 8.790 -24.149 -3.355 1.00 0.00 O ATOM 0 H GLU A 16 4.654 -21.530 -4.804 1.00 0.00 H new ATOM 0 HA GLU A 16 5.680 -20.483 -2.258 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.957 -21.049 -4.988 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.864 -20.469 -3.605 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.068 -22.489 -2.288 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.274 -23.082 -3.733 1.00 0.00 H new ATOM 212 N PHE A 17 4.900 -18.433 -4.582 1.00 0.00 N ATOM 213 CA PHE A 17 4.939 -16.985 -4.960 1.00 0.00 C ATOM 214 C PHE A 17 4.925 -16.110 -3.692 1.00 0.00 C ATOM 215 O PHE A 17 5.180 -14.926 -3.754 1.00 0.00 O ATOM 216 CB PHE A 17 3.733 -16.664 -5.889 1.00 0.00 C ATOM 217 CG PHE A 17 3.273 -15.226 -5.711 1.00 0.00 C ATOM 218 CD1 PHE A 17 4.145 -14.165 -5.986 1.00 0.00 C ATOM 219 CD2 PHE A 17 1.972 -14.964 -5.256 1.00 0.00 C ATOM 220 CE1 PHE A 17 3.716 -12.846 -5.799 1.00 0.00 C ATOM 221 CE2 PHE A 17 1.546 -13.649 -5.073 1.00 0.00 C ATOM 222 CZ PHE A 17 2.415 -12.588 -5.341 1.00 0.00 C ATOM 0 H PHE A 17 4.193 -18.992 -5.059 1.00 0.00 H new ATOM 0 HA PHE A 17 5.858 -16.766 -5.503 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.015 -16.833 -6.928 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.909 -17.343 -5.668 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.145 -14.364 -6.341 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.299 -15.782 -5.047 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.387 -12.026 -6.007 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.544 -13.450 -4.724 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.085 -11.570 -5.196 1.00 0.00 H new ATOM 232 N PHE A 18 4.637 -16.659 -2.543 1.00 0.00 N ATOM 233 CA PHE A 18 4.628 -15.790 -1.338 1.00 0.00 C ATOM 234 C PHE A 18 6.059 -15.551 -0.867 1.00 0.00 C ATOM 235 O PHE A 18 6.531 -14.439 -0.858 1.00 0.00 O ATOM 236 CB PHE A 18 3.844 -16.475 -0.221 1.00 0.00 C ATOM 237 CG PHE A 18 2.565 -17.031 -0.791 1.00 0.00 C ATOM 238 CD1 PHE A 18 1.626 -16.167 -1.371 1.00 0.00 C ATOM 239 CD2 PHE A 18 2.311 -18.405 -0.737 1.00 0.00 C ATOM 240 CE1 PHE A 18 0.439 -16.680 -1.899 1.00 0.00 C ATOM 241 CE2 PHE A 18 1.124 -18.916 -1.265 1.00 0.00 C ATOM 242 CZ PHE A 18 0.186 -18.051 -1.848 1.00 0.00 C ATOM 0 H PHE A 18 4.414 -17.642 -2.390 1.00 0.00 H new ATOM 0 HA PHE A 18 4.160 -14.838 -1.587 1.00 0.00 H new ATOM 0 HB2 PHE A 18 4.438 -17.275 0.221 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.624 -15.764 0.575 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.820 -15.105 -1.410 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.033 -19.071 -0.287 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.284 -16.014 -2.347 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.928 -19.977 -1.225 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.732 -18.446 -2.257 1.00 0.00 H new ATOM 252 N ARG A 19 6.774 -16.575 -0.498 1.00 0.00 N ATOM 253 CA ARG A 19 8.176 -16.346 -0.050 1.00 0.00 C ATOM 254 C ARG A 19 9.013 -15.758 -1.208 1.00 0.00 C ATOM 255 O ARG A 19 9.911 -14.970 -0.977 1.00 0.00 O ATOM 256 CB ARG A 19 8.819 -17.656 0.474 1.00 0.00 C ATOM 257 CG ARG A 19 8.203 -18.881 -0.229 1.00 0.00 C ATOM 258 CD ARG A 19 7.004 -19.412 0.572 1.00 0.00 C ATOM 259 NE ARG A 19 7.481 -20.314 1.663 1.00 0.00 N ATOM 260 CZ ARG A 19 6.662 -20.639 2.629 1.00 0.00 C ATOM 261 NH1 ARG A 19 5.430 -20.202 2.599 1.00 0.00 N ATOM 262 NH2 ARG A 19 7.070 -21.394 3.617 1.00 0.00 N ATOM 0 H ARG A 19 6.457 -17.544 -0.486 1.00 0.00 H new ATOM 0 HA ARG A 19 8.158 -15.632 0.773 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.895 -17.634 0.301 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.670 -17.735 1.551 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.884 -18.609 -1.235 1.00 0.00 H new ATOM 0 HG3 ARG A 19 8.954 -19.664 -0.334 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.442 -18.580 0.996 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.325 -19.952 -0.088 1.00 0.00 H new ATOM 0 HE ARG A 19 8.436 -20.673 1.654 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.116 -19.614 1.827 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.783 -20.450 3.347 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.032 -21.733 3.637 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.426 -21.644 4.368 1.00 0.00 H new ATOM 276 N LYS A 20 8.755 -16.143 -2.442 1.00 0.00 N ATOM 277 CA LYS A 20 9.570 -15.603 -3.580 1.00 0.00 C ATOM 278 C LYS A 20 9.456 -14.082 -3.688 1.00 0.00 C ATOM 279 O LYS A 20 10.406 -13.416 -4.056 1.00 0.00 O ATOM 280 CB LYS A 20 9.128 -16.212 -4.914 1.00 0.00 C ATOM 281 CG LYS A 20 9.318 -17.736 -4.892 1.00 0.00 C ATOM 282 CD LYS A 20 9.321 -18.299 -6.318 1.00 0.00 C ATOM 283 CE LYS A 20 7.946 -18.142 -6.986 1.00 0.00 C ATOM 284 NZ LYS A 20 6.928 -18.957 -6.264 1.00 0.00 N ATOM 0 H LYS A 20 8.022 -16.801 -2.706 1.00 0.00 H new ATOM 0 HA LYS A 20 10.605 -15.874 -3.371 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.082 -15.972 -5.103 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.707 -15.778 -5.729 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.256 -17.984 -4.395 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.519 -18.199 -4.314 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.077 -17.785 -6.912 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.597 -19.353 -6.294 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.650 -17.093 -6.985 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.002 -18.456 -8.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.976 -18.612 -6.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.015 -19.953 -6.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.082 -18.875 -5.239 1.00 0.00 H new ATOM 298 N LEU A 21 8.306 -13.522 -3.402 1.00 0.00 N ATOM 299 CA LEU A 21 8.139 -12.031 -3.519 1.00 0.00 C ATOM 300 C LEU A 21 7.453 -11.453 -2.276 1.00 0.00 C ATOM 301 O LEU A 21 7.713 -10.330 -1.891 1.00 0.00 O ATOM 302 CB LEU A 21 7.300 -11.705 -4.760 1.00 0.00 C ATOM 303 CG LEU A 21 8.111 -11.960 -6.042 1.00 0.00 C ATOM 304 CD1 LEU A 21 7.175 -11.846 -7.257 1.00 0.00 C ATOM 305 CD2 LEU A 21 9.254 -10.923 -6.166 1.00 0.00 C ATOM 0 H LEU A 21 7.475 -14.027 -3.093 1.00 0.00 H new ATOM 0 HA LEU A 21 9.128 -11.582 -3.608 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.397 -12.316 -4.766 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.980 -10.664 -4.726 1.00 0.00 H new ATOM 0 HG LEU A 21 8.547 -12.958 -6.002 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.741 -12.025 -8.171 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.378 -12.585 -7.173 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.741 -10.847 -7.289 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.821 -11.114 -7.077 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.832 -9.919 -6.205 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.915 -11.005 -5.303 1.00 0.00 H new ATOM 317 N SER A 22 6.574 -12.187 -1.646 1.00 0.00 N ATOM 318 CA SER A 22 5.892 -11.635 -0.439 1.00 0.00 C ATOM 319 C SER A 22 6.828 -11.737 0.771 1.00 0.00 C ATOM 320 O SER A 22 6.634 -12.527 1.674 1.00 0.00 O ATOM 321 CB SER A 22 4.580 -12.382 -0.178 1.00 0.00 C ATOM 322 OG SER A 22 4.847 -13.580 0.528 1.00 0.00 O ATOM 0 H SER A 22 6.301 -13.134 -1.911 1.00 0.00 H new ATOM 0 HA SER A 22 5.652 -10.586 -0.610 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.900 -11.753 0.397 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.084 -12.607 -1.122 1.00 0.00 H new ATOM 0 HG SER A 22 5.813 -13.746 0.537 1.00 0.00 H new ATOM 328 N ARG A 23 7.841 -10.921 0.778 1.00 0.00 N ATOM 329 CA ARG A 23 8.825 -10.905 1.898 1.00 0.00 C ATOM 330 C ARG A 23 9.300 -9.465 2.076 1.00 0.00 C ATOM 331 O ARG A 23 8.899 -8.583 1.333 1.00 0.00 O ATOM 332 CB ARG A 23 10.014 -11.820 1.560 1.00 0.00 C ATOM 333 CG ARG A 23 10.853 -11.217 0.431 1.00 0.00 C ATOM 334 CD ARG A 23 11.851 -12.263 -0.066 1.00 0.00 C ATOM 335 NE ARG A 23 12.770 -12.627 1.040 1.00 0.00 N ATOM 336 CZ ARG A 23 13.514 -13.692 0.937 1.00 0.00 C ATOM 337 NH1 ARG A 23 13.428 -14.444 -0.123 1.00 0.00 N ATOM 338 NH2 ARG A 23 14.346 -14.011 1.888 1.00 0.00 N ATOM 0 H ARG A 23 8.035 -10.247 0.037 1.00 0.00 H new ATOM 0 HA ARG A 23 8.368 -11.269 2.818 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.634 -11.962 2.445 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.650 -12.804 1.264 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.207 -10.895 -0.386 1.00 0.00 H new ATOM 0 HG3 ARG A 23 11.382 -10.333 0.787 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.322 -13.148 -0.421 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.417 -11.870 -0.910 1.00 0.00 H new ATOM 0 HE ARG A 23 12.819 -12.046 1.877 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.779 -14.199 -0.871 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.010 -15.278 -0.205 1.00 0.00 H new ATOM 0 HH21 ARG A 23 14.418 -13.426 2.720 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.925 -14.846 1.800 1.00 0.00 H new ATOM 352 N GLU A 24 10.136 -9.200 3.040 1.00 0.00 N ATOM 353 CA GLU A 24 10.617 -7.807 3.206 1.00 0.00 C ATOM 354 C GLU A 24 11.290 -7.398 1.893 1.00 0.00 C ATOM 355 O GLU A 24 12.270 -7.987 1.490 1.00 0.00 O ATOM 356 CB GLU A 24 11.615 -7.735 4.377 1.00 0.00 C ATOM 357 CG GLU A 24 12.786 -8.694 4.138 1.00 0.00 C ATOM 358 CD GLU A 24 13.540 -8.940 5.447 1.00 0.00 C ATOM 359 OE1 GLU A 24 13.117 -8.422 6.466 1.00 0.00 O ATOM 360 OE2 GLU A 24 14.539 -9.645 5.404 1.00 0.00 O ATOM 0 H GLU A 24 10.501 -9.878 3.709 1.00 0.00 H new ATOM 0 HA GLU A 24 9.792 -7.131 3.432 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.987 -6.716 4.485 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.111 -7.991 5.309 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.417 -9.639 3.739 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.462 -8.276 3.393 1.00 0.00 H new ATOM 367 N CYS A 25 10.756 -6.420 1.188 1.00 0.00 N ATOM 368 CA CYS A 25 11.375 -6.019 -0.119 1.00 0.00 C ATOM 369 C CYS A 25 11.519 -4.492 -0.200 1.00 0.00 C ATOM 370 O CYS A 25 10.748 -3.755 0.380 1.00 0.00 O ATOM 371 CB CYS A 25 10.498 -6.517 -1.269 1.00 0.00 C ATOM 372 SG CYS A 25 10.616 -8.322 -1.402 1.00 0.00 S ATOM 0 H CYS A 25 9.928 -5.889 1.459 1.00 0.00 H new ATOM 0 HA CYS A 25 12.367 -6.465 -0.193 1.00 0.00 H new ATOM 0 HB2 CYS A 25 9.462 -6.223 -1.101 1.00 0.00 H new ATOM 0 HB3 CYS A 25 10.813 -6.054 -2.204 1.00 0.00 H new ATOM 0 HG CYS A 25 9.910 -8.874 -0.460 1.00 0.00 H new ATOM 378 N GLU A 26 12.492 -4.012 -0.936 1.00 0.00 N ATOM 379 CA GLU A 26 12.668 -2.536 -1.078 1.00 0.00 C ATOM 380 C GLU A 26 11.458 -1.978 -1.839 1.00 0.00 C ATOM 381 O GLU A 26 10.918 -2.637 -2.707 1.00 0.00 O ATOM 382 CB GLU A 26 13.979 -2.229 -1.849 1.00 0.00 C ATOM 383 CG GLU A 26 14.434 -3.459 -2.643 1.00 0.00 C ATOM 384 CD GLU A 26 15.091 -4.474 -1.696 1.00 0.00 C ATOM 385 OE1 GLU A 26 15.112 -4.219 -0.505 1.00 0.00 O ATOM 386 OE2 GLU A 26 15.564 -5.488 -2.186 1.00 0.00 O ATOM 0 H GLU A 26 13.171 -4.580 -1.444 1.00 0.00 H new ATOM 0 HA GLU A 26 12.735 -2.069 -0.096 1.00 0.00 H new ATOM 0 HB2 GLU A 26 13.822 -1.389 -2.526 1.00 0.00 H new ATOM 0 HB3 GLU A 26 14.759 -1.932 -1.148 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.581 -3.915 -3.145 1.00 0.00 H new ATOM 0 HG3 GLU A 26 15.139 -3.162 -3.419 1.00 0.00 H new ATOM 393 N ILE A 27 11.025 -0.773 -1.534 1.00 0.00 N ATOM 394 CA ILE A 27 9.849 -0.190 -2.267 1.00 0.00 C ATOM 395 C ILE A 27 10.073 1.294 -2.559 1.00 0.00 C ATOM 396 O ILE A 27 10.747 1.999 -1.823 1.00 0.00 O ATOM 397 CB ILE A 27 8.562 -0.378 -1.444 1.00 0.00 C ATOM 398 CG1 ILE A 27 8.560 0.516 -0.191 1.00 0.00 C ATOM 399 CG2 ILE A 27 8.465 -1.832 -0.987 1.00 0.00 C ATOM 400 CD1 ILE A 27 7.230 0.347 0.559 1.00 0.00 C ATOM 0 H ILE A 27 11.431 -0.173 -0.816 1.00 0.00 H new ATOM 0 HA ILE A 27 9.743 -0.716 -3.216 1.00 0.00 H new ATOM 0 HB ILE A 27 7.718 -0.105 -2.077 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.393 0.249 0.460 1.00 0.00 H new ATOM 0 HG13 ILE A 27 8.699 1.559 -0.476 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.555 -1.970 -0.403 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.440 -2.486 -1.858 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.331 -2.079 -0.372 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.230 0.980 1.446 1.00 0.00 H new ATOM 0 HD12 ILE A 27 6.405 0.635 -0.093 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.110 -0.695 0.857 1.00 0.00 H new ATOM 412 N LYS A 28 9.486 1.782 -3.625 1.00 0.00 N ATOM 413 CA LYS A 28 9.645 3.222 -3.972 1.00 0.00 C ATOM 414 C LYS A 28 8.343 3.766 -4.560 1.00 0.00 C ATOM 415 O LYS A 28 7.849 3.286 -5.565 1.00 0.00 O ATOM 416 CB LYS A 28 10.765 3.360 -4.998 1.00 0.00 C ATOM 417 CG LYS A 28 11.114 4.834 -5.183 1.00 0.00 C ATOM 418 CD LYS A 28 12.115 4.979 -6.333 1.00 0.00 C ATOM 419 CE LYS A 28 13.385 4.168 -6.025 1.00 0.00 C ATOM 420 NZ LYS A 28 14.553 4.794 -6.717 1.00 0.00 N ATOM 0 H LYS A 28 8.905 1.243 -4.267 1.00 0.00 H new ATOM 0 HA LYS A 28 9.889 3.789 -3.074 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.644 2.807 -4.668 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.455 2.927 -5.949 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.213 5.409 -5.396 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.539 5.237 -4.263 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.667 4.630 -7.263 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.369 6.029 -6.476 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.559 4.138 -4.949 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.261 3.137 -6.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.436 4.441 -6.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.529 4.550 -7.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.507 5.827 -6.610 1.00 0.00 H new ATOM 434 N TYR A 29 7.803 4.778 -3.930 1.00 0.00 N ATOM 435 CA TYR A 29 6.533 5.396 -4.409 1.00 0.00 C ATOM 436 C TYR A 29 6.747 5.989 -5.800 1.00 0.00 C ATOM 437 O TYR A 29 7.834 6.416 -6.139 1.00 0.00 O ATOM 438 CB TYR A 29 6.141 6.492 -3.410 1.00 0.00 C ATOM 439 CG TYR A 29 5.040 7.371 -3.951 1.00 0.00 C ATOM 440 CD1 TYR A 29 5.360 8.501 -4.715 1.00 0.00 C ATOM 441 CD2 TYR A 29 3.702 7.070 -3.671 1.00 0.00 C ATOM 442 CE1 TYR A 29 4.345 9.328 -5.203 1.00 0.00 C ATOM 443 CE2 TYR A 29 2.684 7.902 -4.159 1.00 0.00 C ATOM 444 CZ TYR A 29 3.009 9.030 -4.928 1.00 0.00 C ATOM 445 OH TYR A 29 2.014 9.853 -5.417 1.00 0.00 O ATOM 0 H TYR A 29 8.195 5.207 -3.092 1.00 0.00 H new ATOM 0 HA TYR A 29 5.738 4.653 -4.476 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.815 6.034 -2.476 1.00 0.00 H new ATOM 0 HB3 TYR A 29 7.014 7.103 -3.178 1.00 0.00 H new ATOM 0 HD1 TYR A 29 6.393 8.733 -4.927 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.454 6.200 -3.081 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.594 10.198 -5.793 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.650 7.675 -3.943 1.00 0.00 H new ATOM 0 HH TYR A 29 1.139 9.509 -5.139 1.00 0.00 H new ATOM 455 N THR A 30 5.722 6.009 -6.617 1.00 0.00 N ATOM 456 CA THR A 30 5.878 6.571 -7.995 1.00 0.00 C ATOM 457 C THR A 30 5.508 8.048 -7.986 1.00 0.00 C ATOM 458 O THR A 30 4.419 8.423 -7.608 1.00 0.00 O ATOM 459 CB THR A 30 4.965 5.841 -8.979 1.00 0.00 C ATOM 460 OG1 THR A 30 3.673 5.768 -8.423 1.00 0.00 O ATOM 461 CG2 THR A 30 5.485 4.424 -9.245 1.00 0.00 C ATOM 0 H THR A 30 4.790 5.663 -6.391 1.00 0.00 H new ATOM 0 HA THR A 30 6.915 6.443 -8.305 1.00 0.00 H new ATOM 0 HB THR A 30 4.944 6.385 -9.923 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.613 4.986 -7.836 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.822 3.919 -9.948 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.488 4.478 -9.667 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.515 3.866 -8.309 1.00 0.00 H new ATOM 469 N GLY A 31 6.409 8.886 -8.425 1.00 0.00 N ATOM 470 CA GLY A 31 6.130 10.351 -8.465 1.00 0.00 C ATOM 471 C GLY A 31 7.008 11.000 -9.541 1.00 0.00 C ATOM 472 O GLY A 31 7.647 10.329 -10.325 1.00 0.00 O ATOM 0 H GLY A 31 7.334 8.616 -8.760 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.077 10.527 -8.683 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.334 10.799 -7.493 1.00 0.00 H new ATOM 476 N PHE A 32 7.048 12.308 -9.587 1.00 0.00 N ATOM 477 CA PHE A 32 7.890 13.002 -10.613 1.00 0.00 C ATOM 478 C PHE A 32 9.337 13.105 -10.115 1.00 0.00 C ATOM 479 O PHE A 32 9.754 14.120 -9.593 1.00 0.00 O ATOM 480 CB PHE A 32 7.339 14.405 -10.840 1.00 0.00 C ATOM 481 CG PHE A 32 5.867 14.319 -11.159 1.00 0.00 C ATOM 482 CD1 PHE A 32 5.443 13.637 -12.304 1.00 0.00 C ATOM 483 CD2 PHE A 32 4.928 14.923 -10.319 1.00 0.00 C ATOM 484 CE1 PHE A 32 4.082 13.556 -12.616 1.00 0.00 C ATOM 485 CE2 PHE A 32 3.563 14.847 -10.627 1.00 0.00 C ATOM 486 CZ PHE A 32 3.140 14.158 -11.777 1.00 0.00 C ATOM 0 H PHE A 32 6.535 12.927 -8.959 1.00 0.00 H new ATOM 0 HA PHE A 32 7.869 12.435 -11.544 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.495 15.017 -9.952 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.872 14.889 -11.658 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.171 13.170 -12.951 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.254 15.448 -9.433 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.760 13.030 -13.502 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.836 15.318 -9.981 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.088 14.094 -12.012 1.00 0.00 H new ATOM 496 N ARG A 33 10.102 12.060 -10.276 1.00 0.00 N ATOM 497 CA ARG A 33 11.532 12.057 -9.819 1.00 0.00 C ATOM 498 C ARG A 33 12.327 13.173 -10.485 1.00 0.00 C ATOM 499 O ARG A 33 13.376 13.559 -10.010 1.00 0.00 O ATOM 500 CB ARG A 33 12.160 10.706 -10.182 1.00 0.00 C ATOM 501 CG ARG A 33 11.461 9.600 -9.396 1.00 0.00 C ATOM 502 CD ARG A 33 12.087 8.244 -9.745 1.00 0.00 C ATOM 503 NE ARG A 33 13.512 8.229 -9.298 1.00 0.00 N ATOM 504 CZ ARG A 33 14.198 7.116 -9.289 1.00 0.00 C ATOM 505 NH1 ARG A 33 13.628 5.989 -9.620 1.00 0.00 N ATOM 506 NH2 ARG A 33 15.445 7.127 -8.912 1.00 0.00 N ATOM 0 H ARG A 33 9.796 11.190 -10.712 1.00 0.00 H new ATOM 0 HA ARG A 33 11.555 12.218 -8.741 1.00 0.00 H new ATOM 0 HB2 ARG A 33 12.065 10.523 -11.252 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.226 10.714 -9.953 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.551 9.788 -8.326 1.00 0.00 H new ATOM 0 HG3 ARG A 33 10.396 9.591 -9.630 1.00 0.00 H new ATOM 0 HD2 ARG A 33 11.533 7.439 -9.261 1.00 0.00 H new ATOM 0 HD3 ARG A 33 12.029 8.069 -10.819 1.00 0.00 H new ATOM 0 HE ARG A 33 13.955 9.097 -8.996 1.00 0.00 H new ATOM 0 HH11 ARG A 33 12.644 5.974 -9.887 1.00 0.00 H new ATOM 0 HH12 ARG A 33 14.167 5.123 -9.612 1.00 0.00 H new ATOM 0 HH21 ARG A 33 15.883 8.002 -8.625 1.00 0.00 H new ATOM 0 HH22 ARG A 33 15.983 6.260 -8.904 1.00 0.00 H new ATOM 520 N ASP A 34 11.865 13.674 -11.585 1.00 0.00 N ATOM 521 CA ASP A 34 12.623 14.749 -12.283 1.00 0.00 C ATOM 522 C ASP A 34 12.372 16.091 -11.601 1.00 0.00 C ATOM 523 O ASP A 34 13.029 17.073 -11.883 1.00 0.00 O ATOM 524 CB ASP A 34 12.144 14.819 -13.736 1.00 0.00 C ATOM 525 CG ASP A 34 13.056 15.729 -14.561 1.00 0.00 C ATOM 526 OD1 ASP A 34 13.998 16.266 -14.001 1.00 0.00 O ATOM 527 OD2 ASP A 34 12.793 15.872 -15.745 1.00 0.00 O ATOM 0 H ASP A 34 10.996 13.390 -12.036 1.00 0.00 H new ATOM 0 HA ASP A 34 13.690 14.529 -12.247 1.00 0.00 H new ATOM 0 HB2 ASP A 34 12.132 13.819 -14.169 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.121 15.194 -13.770 1.00 0.00 H new ATOM 532 N ARG A 35 11.432 16.154 -10.701 1.00 0.00 N ATOM 533 CA ARG A 35 11.162 17.448 -10.009 1.00 0.00 C ATOM 534 C ARG A 35 12.150 17.592 -8.836 1.00 0.00 C ATOM 535 O ARG A 35 12.513 16.610 -8.231 1.00 0.00 O ATOM 536 CB ARG A 35 9.690 17.459 -9.530 1.00 0.00 C ATOM 537 CG ARG A 35 8.832 18.348 -10.441 1.00 0.00 C ATOM 538 CD ARG A 35 8.829 17.821 -11.888 1.00 0.00 C ATOM 539 NE ARG A 35 8.656 18.974 -12.806 1.00 0.00 N ATOM 540 CZ ARG A 35 8.906 18.833 -14.080 1.00 0.00 C ATOM 541 NH1 ARG A 35 9.263 17.669 -14.551 1.00 0.00 N ATOM 542 NH2 ARG A 35 8.789 19.853 -14.883 1.00 0.00 N ATOM 0 H ARG A 35 10.842 15.373 -10.415 1.00 0.00 H new ATOM 0 HA ARG A 35 11.304 18.295 -10.680 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.295 16.443 -9.528 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.638 17.823 -8.504 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.811 18.384 -10.062 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.215 19.368 -10.423 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.762 17.301 -12.104 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.023 17.101 -12.028 1.00 0.00 H new ATOM 0 HE ARG A 35 8.343 19.874 -12.443 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.347 16.869 -13.924 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.458 17.560 -15.546 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.502 20.761 -14.516 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.984 19.744 -15.878 1.00 0.00 H new ATOM 556 N PRO A 36 12.601 18.799 -8.534 1.00 0.00 N ATOM 557 CA PRO A 36 13.572 19.028 -7.426 1.00 0.00 C ATOM 558 C PRO A 36 13.217 18.240 -6.156 1.00 0.00 C ATOM 559 O PRO A 36 12.316 17.429 -6.134 1.00 0.00 O ATOM 560 CB PRO A 36 13.473 20.537 -7.150 1.00 0.00 C ATOM 561 CG PRO A 36 13.004 21.156 -8.432 1.00 0.00 C ATOM 562 CD PRO A 36 12.246 20.069 -9.214 1.00 0.00 C ATOM 0 HA PRO A 36 14.572 18.695 -7.704 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.774 20.741 -6.339 1.00 0.00 H new ATOM 0 HB3 PRO A 36 14.439 20.944 -6.849 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.355 22.009 -8.232 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.849 21.527 -9.011 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.170 20.243 -9.192 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.545 20.054 -10.262 1.00 0.00 H new ATOM 570 N HIS A 37 13.899 18.507 -5.089 1.00 0.00 N ATOM 571 CA HIS A 37 13.590 17.795 -3.824 1.00 0.00 C ATOM 572 C HIS A 37 12.138 18.077 -3.436 1.00 0.00 C ATOM 573 O HIS A 37 11.576 17.427 -2.589 1.00 0.00 O ATOM 574 CB HIS A 37 14.542 18.289 -2.729 1.00 0.00 C ATOM 575 CG HIS A 37 15.960 17.991 -3.138 1.00 0.00 C ATOM 576 ND1 HIS A 37 16.512 16.722 -3.038 1.00 0.00 N ATOM 577 CD2 HIS A 37 16.949 18.788 -3.657 1.00 0.00 C ATOM 578 CE1 HIS A 37 17.778 16.796 -3.484 1.00 0.00 C ATOM 579 NE2 HIS A 37 18.096 18.034 -3.874 1.00 0.00 N ATOM 0 H HIS A 37 14.658 19.187 -5.034 1.00 0.00 H new ATOM 0 HA HIS A 37 13.721 16.720 -3.950 1.00 0.00 H new ATOM 0 HB2 HIS A 37 14.413 19.360 -2.573 1.00 0.00 H new ATOM 0 HB3 HIS A 37 14.313 17.799 -1.782 1.00 0.00 H new ATOM 0 HD2 HIS A 37 16.851 19.843 -3.866 1.00 0.00 H new ATOM 0 HE1 HIS A 37 18.456 15.956 -3.522 1.00 0.00 H new ATOM 0 HE2 HIS A 37 18.988 18.356 -4.250 1.00 0.00 H new ATOM 587 N GLU A 38 11.517 19.038 -4.057 1.00 0.00 N ATOM 588 CA GLU A 38 10.097 19.328 -3.719 1.00 0.00 C ATOM 589 C GLU A 38 9.227 18.101 -4.027 1.00 0.00 C ATOM 590 O GLU A 38 8.075 18.036 -3.640 1.00 0.00 O ATOM 591 CB GLU A 38 9.611 20.555 -4.504 1.00 0.00 C ATOM 592 CG GLU A 38 9.482 20.224 -5.994 1.00 0.00 C ATOM 593 CD GLU A 38 9.250 21.515 -6.787 1.00 0.00 C ATOM 594 OE1 GLU A 38 8.387 22.285 -6.394 1.00 0.00 O ATOM 595 OE2 GLU A 38 9.949 21.718 -7.768 1.00 0.00 O ATOM 0 H GLU A 38 11.927 19.631 -4.778 1.00 0.00 H new ATOM 0 HA GLU A 38 10.016 19.549 -2.655 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.648 20.885 -4.114 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.310 21.381 -4.368 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.385 19.726 -6.346 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.654 19.533 -6.153 1.00 0.00 H new ATOM 602 N GLU A 39 9.747 17.130 -4.734 1.00 0.00 N ATOM 603 CA GLU A 39 8.917 15.943 -5.066 1.00 0.00 C ATOM 604 C GLU A 39 8.631 15.102 -3.822 1.00 0.00 C ATOM 605 O GLU A 39 7.601 14.470 -3.731 1.00 0.00 O ATOM 606 CB GLU A 39 9.665 15.086 -6.087 1.00 0.00 C ATOM 607 CG GLU A 39 10.870 14.395 -5.428 1.00 0.00 C ATOM 608 CD GLU A 39 11.821 13.886 -6.518 1.00 0.00 C ATOM 609 OE1 GLU A 39 11.630 14.259 -7.665 1.00 0.00 O ATOM 610 OE2 GLU A 39 12.723 13.138 -6.190 1.00 0.00 O ATOM 0 H GLU A 39 10.702 17.111 -5.091 1.00 0.00 H new ATOM 0 HA GLU A 39 7.967 16.288 -5.474 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.992 14.337 -6.505 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.003 15.708 -6.915 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.390 15.093 -4.772 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.533 13.565 -4.807 1.00 0.00 H new ATOM 617 N ARG A 40 9.512 15.077 -2.858 1.00 0.00 N ATOM 618 CA ARG A 40 9.212 14.244 -1.650 1.00 0.00 C ATOM 619 C ARG A 40 8.036 14.845 -0.860 1.00 0.00 C ATOM 620 O ARG A 40 7.100 14.155 -0.509 1.00 0.00 O ATOM 621 CB ARG A 40 10.454 14.099 -0.738 1.00 0.00 C ATOM 622 CG ARG A 40 11.354 15.329 -0.857 1.00 0.00 C ATOM 623 CD ARG A 40 12.447 15.270 0.201 1.00 0.00 C ATOM 624 NE ARG A 40 13.341 14.118 -0.086 1.00 0.00 N ATOM 625 CZ ARG A 40 14.507 14.049 0.484 1.00 0.00 C ATOM 626 NH1 ARG A 40 14.895 15.015 1.273 1.00 0.00 N ATOM 627 NH2 ARG A 40 15.284 13.017 0.255 1.00 0.00 N ATOM 0 H ARG A 40 10.400 15.579 -2.848 1.00 0.00 H new ATOM 0 HA ARG A 40 8.934 13.248 -1.996 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.139 13.971 0.298 1.00 0.00 H new ATOM 0 HB3 ARG A 40 11.013 13.205 -1.014 1.00 0.00 H new ATOM 0 HG2 ARG A 40 11.799 15.371 -1.851 1.00 0.00 H new ATOM 0 HG3 ARG A 40 10.764 16.237 -0.733 1.00 0.00 H new ATOM 0 HD2 ARG A 40 13.019 16.198 0.203 1.00 0.00 H new ATOM 0 HD3 ARG A 40 12.006 15.165 1.192 1.00 0.00 H new ATOM 0 HE ARG A 40 13.041 13.384 -0.728 1.00 0.00 H new ATOM 0 HH11 ARG A 40 14.284 15.815 1.438 1.00 0.00 H new ATOM 0 HH12 ARG A 40 15.808 14.969 1.724 1.00 0.00 H new ATOM 0 HH21 ARG A 40 14.972 12.272 -0.369 1.00 0.00 H new ATOM 0 HH22 ARG A 40 16.200 12.959 0.700 1.00 0.00 H new ATOM 641 N GLN A 41 8.072 16.115 -0.565 1.00 0.00 N ATOM 642 CA GLN A 41 6.951 16.727 0.218 1.00 0.00 C ATOM 643 C GLN A 41 5.712 16.905 -0.645 1.00 0.00 C ATOM 644 O GLN A 41 4.600 16.680 -0.215 1.00 0.00 O ATOM 645 CB GLN A 41 7.389 18.082 0.775 1.00 0.00 C ATOM 646 CG GLN A 41 7.944 18.986 -0.339 1.00 0.00 C ATOM 647 CD GLN A 41 6.803 19.718 -1.051 1.00 0.00 C ATOM 648 OE1 GLN A 41 5.661 19.659 -0.632 1.00 0.00 O ATOM 649 NE2 GLN A 41 7.069 20.425 -2.110 1.00 0.00 N ATOM 0 H GLN A 41 8.821 16.755 -0.828 1.00 0.00 H new ATOM 0 HA GLN A 41 6.702 16.054 1.039 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.542 18.571 1.257 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.150 17.935 1.541 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.640 19.710 0.084 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.504 18.387 -1.057 1.00 0.00 H new ATOM 0 HE21 GLN A 41 8.025 20.476 -2.462 1.00 0.00 H new ATOM 0 HE22 GLN A 41 6.322 20.929 -2.588 1.00 0.00 H new ATOM 658 N THR A 42 5.905 17.320 -1.858 1.00 0.00 N ATOM 659 CA THR A 42 4.750 17.538 -2.764 1.00 0.00 C ATOM 660 C THR A 42 4.014 16.225 -3.011 1.00 0.00 C ATOM 661 O THR A 42 2.807 16.200 -3.124 1.00 0.00 O ATOM 662 CB THR A 42 5.246 18.089 -4.101 1.00 0.00 C ATOM 663 OG1 THR A 42 5.939 19.307 -3.876 1.00 0.00 O ATOM 664 CG2 THR A 42 4.056 18.349 -5.031 1.00 0.00 C ATOM 0 H THR A 42 6.819 17.519 -2.265 1.00 0.00 H new ATOM 0 HA THR A 42 4.069 18.249 -2.296 1.00 0.00 H new ATOM 0 HB THR A 42 5.913 17.362 -4.565 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.877 19.204 -4.142 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.416 18.742 -5.982 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.519 17.417 -5.204 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.385 19.074 -4.570 1.00 0.00 H new ATOM 672 N ARG A 43 4.711 15.132 -3.137 1.00 0.00 N ATOM 673 CA ARG A 43 3.983 13.868 -3.405 1.00 0.00 C ATOM 674 C ARG A 43 3.066 13.532 -2.219 1.00 0.00 C ATOM 675 O ARG A 43 1.943 13.117 -2.406 1.00 0.00 O ATOM 676 CB ARG A 43 4.975 12.722 -3.719 1.00 0.00 C ATOM 677 CG ARG A 43 5.508 12.081 -2.425 1.00 0.00 C ATOM 678 CD ARG A 43 4.550 10.994 -1.889 1.00 0.00 C ATOM 679 NE ARG A 43 5.290 9.718 -1.709 1.00 0.00 N ATOM 680 CZ ARG A 43 4.762 8.781 -0.967 1.00 0.00 C ATOM 681 NH1 ARG A 43 3.605 8.986 -0.399 1.00 0.00 N ATOM 682 NH2 ARG A 43 5.396 7.663 -0.753 1.00 0.00 N ATOM 0 H ARG A 43 5.726 15.060 -3.068 1.00 0.00 H new ATOM 0 HA ARG A 43 3.354 13.994 -4.286 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.480 11.965 -4.327 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.808 13.108 -4.307 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.488 11.642 -2.613 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.645 12.852 -1.667 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.118 11.312 -0.940 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.722 10.851 -2.584 1.00 0.00 H new ATOM 0 HE ARG A 43 6.195 9.576 -2.157 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.120 9.873 -0.536 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.186 8.260 0.182 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.316 7.511 -1.167 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.972 6.940 -0.172 1.00 0.00 H new ATOM 696 N PHE A 44 3.530 13.686 -1.002 1.00 0.00 N ATOM 697 CA PHE A 44 2.662 13.341 0.163 1.00 0.00 C ATOM 698 C PHE A 44 1.368 14.163 0.197 1.00 0.00 C ATOM 699 O PHE A 44 0.301 13.625 0.377 1.00 0.00 O ATOM 700 CB PHE A 44 3.438 13.541 1.470 1.00 0.00 C ATOM 701 CG PHE A 44 4.529 12.493 1.571 1.00 0.00 C ATOM 702 CD1 PHE A 44 4.194 11.131 1.605 1.00 0.00 C ATOM 703 CD2 PHE A 44 5.874 12.877 1.600 1.00 0.00 C ATOM 704 CE1 PHE A 44 5.199 10.164 1.669 1.00 0.00 C ATOM 705 CE2 PHE A 44 6.882 11.906 1.659 1.00 0.00 C ATOM 706 CZ PHE A 44 6.542 10.549 1.692 1.00 0.00 C ATOM 0 H PHE A 44 4.461 14.031 -0.768 1.00 0.00 H new ATOM 0 HA PHE A 44 2.378 12.294 0.053 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.874 14.540 1.498 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.763 13.463 2.322 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.157 10.830 1.582 1.00 0.00 H new ATOM 0 HD2 PHE A 44 6.136 13.925 1.577 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.938 9.117 1.701 1.00 0.00 H new ATOM 0 HE2 PHE A 44 7.920 12.204 1.679 1.00 0.00 H new ATOM 0 HZ PHE A 44 7.318 9.799 1.735 1.00 0.00 H new ATOM 716 N GLN A 45 1.441 15.452 0.038 1.00 0.00 N ATOM 717 CA GLN A 45 0.187 16.266 0.089 1.00 0.00 C ATOM 718 C GLN A 45 -0.702 15.989 -1.129 1.00 0.00 C ATOM 719 O GLN A 45 -1.841 15.593 -0.990 1.00 0.00 O ATOM 720 CB GLN A 45 0.537 17.760 0.157 1.00 0.00 C ATOM 721 CG GLN A 45 1.621 18.130 -0.884 1.00 0.00 C ATOM 722 CD GLN A 45 2.617 19.109 -0.266 1.00 0.00 C ATOM 723 OE1 GLN A 45 2.676 20.263 -0.638 1.00 0.00 O ATOM 724 NE2 GLN A 45 3.407 18.679 0.682 1.00 0.00 N ATOM 0 H GLN A 45 2.301 15.977 -0.123 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.368 15.983 0.984 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.359 18.354 -0.021 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.891 18.008 1.158 1.00 0.00 H new ATOM 0 HG2 GLN A 45 2.140 17.231 -1.218 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.157 18.576 -1.764 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.352 17.708 0.990 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.078 19.314 1.114 1.00 0.00 H new ATOM 733 N ASN A 46 -0.205 16.191 -2.317 1.00 0.00 N ATOM 734 CA ASN A 46 -1.050 15.940 -3.526 1.00 0.00 C ATOM 735 C ASN A 46 -1.500 14.478 -3.583 1.00 0.00 C ATOM 736 O ASN A 46 -2.548 14.168 -4.108 1.00 0.00 O ATOM 737 CB ASN A 46 -0.288 16.316 -4.803 1.00 0.00 C ATOM 738 CG ASN A 46 0.847 15.321 -5.041 1.00 0.00 C ATOM 739 OD1 ASN A 46 1.118 14.492 -4.204 1.00 0.00 O ATOM 740 ND2 ASN A 46 1.534 15.374 -6.151 1.00 0.00 N ATOM 0 H ASN A 46 0.743 16.517 -2.507 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.938 16.568 -3.455 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.967 16.317 -5.656 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.114 17.325 -4.714 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.297 14.717 -6.310 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.307 16.073 -6.858 1.00 0.00 H new ATOM 747 N ALA A 47 -0.724 13.566 -3.059 1.00 0.00 N ATOM 748 CA ALA A 47 -1.134 12.129 -3.111 1.00 0.00 C ATOM 749 C ALA A 47 -2.071 11.826 -1.950 1.00 0.00 C ATOM 750 O ALA A 47 -2.991 11.047 -2.079 1.00 0.00 O ATOM 751 CB ALA A 47 0.096 11.224 -3.008 1.00 0.00 C ATOM 0 H ALA A 47 0.169 13.750 -2.601 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.640 11.942 -4.058 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.216 10.180 -3.047 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.771 11.432 -3.838 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.610 11.414 -2.066 1.00 0.00 H new ATOM 757 N CYS A 48 -1.869 12.430 -0.813 1.00 0.00 N ATOM 758 CA CYS A 48 -2.791 12.142 0.315 1.00 0.00 C ATOM 759 C CYS A 48 -4.207 12.554 -0.083 1.00 0.00 C ATOM 760 O CYS A 48 -5.162 11.870 0.221 1.00 0.00 O ATOM 761 CB CYS A 48 -2.372 12.901 1.575 1.00 0.00 C ATOM 762 SG CYS A 48 -2.749 14.659 1.370 1.00 0.00 S ATOM 0 H CYS A 48 -1.122 13.097 -0.619 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.755 11.075 0.533 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.897 12.504 2.444 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.306 12.765 1.757 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.314 15.064 0.214 1.00 0.00 H new ATOM 768 N ARG A 49 -4.367 13.656 -0.786 1.00 0.00 N ATOM 769 CA ARG A 49 -5.747 14.042 -1.195 1.00 0.00 C ATOM 770 C ARG A 49 -6.282 12.952 -2.137 1.00 0.00 C ATOM 771 O ARG A 49 -7.400 12.491 -1.996 1.00 0.00 O ATOM 772 CB ARG A 49 -5.729 15.412 -1.877 1.00 0.00 C ATOM 773 CG ARG A 49 -4.620 15.442 -2.923 1.00 0.00 C ATOM 774 CD ARG A 49 -4.605 16.800 -3.627 1.00 0.00 C ATOM 775 NE ARG A 49 -3.773 16.722 -4.872 1.00 0.00 N ATOM 776 CZ ARG A 49 -3.820 17.689 -5.753 1.00 0.00 C ATOM 777 NH1 ARG A 49 -4.541 18.752 -5.515 1.00 0.00 N ATOM 778 NH2 ARG A 49 -3.125 17.604 -6.858 1.00 0.00 N ATOM 0 H ARG A 49 -3.621 14.284 -1.084 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.400 14.123 -0.326 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.693 15.609 -2.347 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.568 16.197 -1.138 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.656 15.258 -2.449 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.774 14.646 -3.652 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.622 17.100 -3.878 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.203 17.561 -2.958 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.170 15.915 -5.032 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.066 18.828 -4.644 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.579 19.507 -6.200 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.545 16.783 -7.034 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.163 18.358 -7.544 1.00 0.00 H new ATOM 792 N ASP A 50 -5.450 12.467 -3.031 1.00 0.00 N ATOM 793 CA ASP A 50 -5.851 11.326 -3.915 1.00 0.00 C ATOM 794 C ASP A 50 -5.119 10.120 -3.346 1.00 0.00 C ATOM 795 O ASP A 50 -4.027 9.774 -3.740 1.00 0.00 O ATOM 796 CB ASP A 50 -5.474 11.549 -5.390 1.00 0.00 C ATOM 797 CG ASP A 50 -3.993 11.892 -5.552 1.00 0.00 C ATOM 798 OD1 ASP A 50 -3.184 10.981 -5.518 1.00 0.00 O ATOM 799 OD2 ASP A 50 -3.701 13.053 -5.752 1.00 0.00 O ATOM 0 H ASP A 50 -4.504 12.816 -3.186 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.934 11.202 -3.921 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.704 10.651 -5.964 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.081 12.355 -5.802 1.00 0.00 H new ATOM 804 N GLY A 51 -5.708 9.512 -2.365 1.00 0.00 N ATOM 805 CA GLY A 51 -5.057 8.368 -1.677 1.00 0.00 C ATOM 806 C GLY A 51 -4.844 7.196 -2.631 1.00 0.00 C ATOM 807 O GLY A 51 -4.470 6.119 -2.212 1.00 0.00 O ATOM 0 H GLY A 51 -6.628 9.761 -2.003 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.098 8.685 -1.267 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.673 8.048 -0.836 1.00 0.00 H new ATOM 811 N ARG A 52 -5.033 7.391 -3.908 1.00 0.00 N ATOM 812 CA ARG A 52 -4.793 6.270 -4.861 1.00 0.00 C ATOM 813 C ARG A 52 -3.305 6.307 -5.221 1.00 0.00 C ATOM 814 O ARG A 52 -2.913 6.766 -6.274 1.00 0.00 O ATOM 815 CB ARG A 52 -5.638 6.481 -6.119 1.00 0.00 C ATOM 816 CG ARG A 52 -7.118 6.530 -5.741 1.00 0.00 C ATOM 817 CD ARG A 52 -7.976 6.492 -7.009 1.00 0.00 C ATOM 818 NE ARG A 52 -7.880 5.138 -7.625 1.00 0.00 N ATOM 819 CZ ARG A 52 -8.711 4.777 -8.563 1.00 0.00 C ATOM 820 NH1 ARG A 52 -9.657 5.579 -8.951 1.00 0.00 N ATOM 821 NH2 ARG A 52 -8.598 3.606 -9.113 1.00 0.00 N ATOM 0 H ARG A 52 -5.340 8.268 -4.329 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.064 5.310 -4.422 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.348 7.408 -6.613 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.460 5.673 -6.828 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.367 5.687 -5.097 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.329 7.437 -5.175 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.014 6.722 -6.767 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.637 7.251 -7.715 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.159 4.489 -7.310 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.754 6.499 -8.521 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.303 5.289 -9.685 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.860 2.970 -8.811 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.247 3.322 -9.847 1.00 0.00 H new ATOM 835 N SER A 53 -2.481 5.841 -4.318 1.00 0.00 N ATOM 836 CA SER A 53 -0.996 5.842 -4.539 1.00 0.00 C ATOM 837 C SER A 53 -0.558 4.633 -5.360 1.00 0.00 C ATOM 838 O SER A 53 -1.194 3.602 -5.324 1.00 0.00 O ATOM 839 CB SER A 53 -0.295 5.788 -3.190 1.00 0.00 C ATOM 840 OG SER A 53 1.073 5.478 -3.400 1.00 0.00 O ATOM 0 H SER A 53 -2.775 5.453 -3.422 1.00 0.00 H new ATOM 0 HA SER A 53 -0.732 6.749 -5.082 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.391 6.744 -2.676 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.759 5.035 -2.553 1.00 0.00 H new ATOM 0 HG SER A 53 1.612 6.290 -3.298 1.00 0.00 H new ATOM 846 N GLU A 54 0.560 4.730 -6.057 1.00 0.00 N ATOM 847 CA GLU A 54 1.066 3.556 -6.829 1.00 0.00 C ATOM 848 C GLU A 54 2.518 3.323 -6.419 1.00 0.00 C ATOM 849 O GLU A 54 3.309 4.244 -6.367 1.00 0.00 O ATOM 850 CB GLU A 54 1.000 3.838 -8.331 1.00 0.00 C ATOM 851 CG GLU A 54 -0.407 4.331 -8.702 1.00 0.00 C ATOM 852 CD GLU A 54 -0.512 5.844 -8.463 1.00 0.00 C ATOM 853 OE1 GLU A 54 0.501 6.520 -8.563 1.00 0.00 O ATOM 854 OE2 GLU A 54 -1.607 6.299 -8.187 1.00 0.00 O ATOM 0 H GLU A 54 1.135 5.570 -6.119 1.00 0.00 H new ATOM 0 HA GLU A 54 0.455 2.678 -6.618 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.743 4.588 -8.603 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.239 2.934 -8.892 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.617 4.104 -9.747 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.154 3.807 -8.106 1.00 0.00 H new ATOM 861 N ILE A 55 2.880 2.110 -6.123 1.00 0.00 N ATOM 862 CA ILE A 55 4.288 1.840 -5.705 1.00 0.00 C ATOM 863 C ILE A 55 4.706 0.469 -6.178 1.00 0.00 C ATOM 864 O ILE A 55 3.889 -0.370 -6.506 1.00 0.00 O ATOM 865 CB ILE A 55 4.415 1.934 -4.180 1.00 0.00 C ATOM 866 CG1 ILE A 55 5.850 1.569 -3.736 1.00 0.00 C ATOM 867 CG2 ILE A 55 3.401 1.000 -3.508 1.00 0.00 C ATOM 868 CD1 ILE A 55 6.211 2.307 -2.430 1.00 0.00 C ATOM 0 H ILE A 55 2.268 1.294 -6.151 1.00 0.00 H new ATOM 0 HA ILE A 55 4.942 2.587 -6.155 1.00 0.00 H new ATOM 0 HB ILE A 55 4.206 2.960 -3.875 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.929 0.492 -3.587 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.559 1.835 -4.520 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.500 1.075 -2.425 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.391 1.288 -3.801 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.590 -0.027 -3.820 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.224 2.040 -2.129 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.152 3.383 -2.592 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.512 2.020 -1.645 1.00 0.00 H new ATOM 880 N ALA A 56 5.982 0.239 -6.249 1.00 0.00 N ATOM 881 CA ALA A 56 6.459 -1.086 -6.732 1.00 0.00 C ATOM 882 C ALA A 56 7.737 -1.510 -6.017 1.00 0.00 C ATOM 883 O ALA A 56 8.371 -0.740 -5.321 1.00 0.00 O ATOM 884 CB ALA A 56 6.707 -0.999 -8.238 1.00 0.00 C ATOM 0 H ALA A 56 6.713 0.904 -5.996 1.00 0.00 H new ATOM 0 HA ALA A 56 5.697 -1.835 -6.517 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.057 -1.964 -8.605 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.779 -0.733 -8.745 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.462 -0.239 -8.439 1.00 0.00 H new ATOM 890 N PHE A 57 8.108 -2.751 -6.199 1.00 0.00 N ATOM 891 CA PHE A 57 9.342 -3.281 -5.554 1.00 0.00 C ATOM 892 C PHE A 57 10.535 -2.962 -6.457 1.00 0.00 C ATOM 893 O PHE A 57 10.520 -3.255 -7.633 1.00 0.00 O ATOM 894 CB PHE A 57 9.240 -4.803 -5.420 1.00 0.00 C ATOM 895 CG PHE A 57 8.102 -5.182 -4.498 1.00 0.00 C ATOM 896 CD1 PHE A 57 8.238 -4.982 -3.119 1.00 0.00 C ATOM 897 CD2 PHE A 57 6.925 -5.755 -5.015 1.00 0.00 C ATOM 898 CE1 PHE A 57 7.200 -5.347 -2.256 1.00 0.00 C ATOM 899 CE2 PHE A 57 5.890 -6.119 -4.146 1.00 0.00 C ATOM 900 CZ PHE A 57 6.030 -5.921 -2.769 1.00 0.00 C ATOM 0 H PHE A 57 7.602 -3.425 -6.773 1.00 0.00 H new ATOM 0 HA PHE A 57 9.463 -2.829 -4.570 1.00 0.00 H new ATOM 0 HB2 PHE A 57 9.084 -5.250 -6.402 1.00 0.00 H new ATOM 0 HB3 PHE A 57 10.177 -5.203 -5.033 1.00 0.00 H new ATOM 0 HD1 PHE A 57 9.143 -4.546 -2.722 1.00 0.00 H new ATOM 0 HD2 PHE A 57 6.821 -5.913 -6.078 1.00 0.00 H new ATOM 0 HE1 PHE A 57 7.301 -5.186 -1.193 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.983 -6.553 -4.539 1.00 0.00 H new ATOM 0 HZ PHE A 57 5.234 -6.211 -2.099 1.00 0.00 H new ATOM 910 N VAL A 58 11.573 -2.389 -5.928 1.00 0.00 N ATOM 911 CA VAL A 58 12.747 -2.080 -6.797 1.00 0.00 C ATOM 912 C VAL A 58 13.310 -3.380 -7.384 1.00 0.00 C ATOM 913 O VAL A 58 13.698 -3.432 -8.535 1.00 0.00 O ATOM 914 CB VAL A 58 13.836 -1.394 -5.972 1.00 0.00 C ATOM 915 CG1 VAL A 58 15.067 -1.167 -6.858 1.00 0.00 C ATOM 916 CG2 VAL A 58 13.311 -0.051 -5.456 1.00 0.00 C ATOM 0 H VAL A 58 11.665 -2.122 -4.948 1.00 0.00 H new ATOM 0 HA VAL A 58 12.427 -1.419 -7.603 1.00 0.00 H new ATOM 0 HB VAL A 58 14.110 -2.021 -5.123 1.00 0.00 H new ATOM 0 HG11 VAL A 58 15.849 -0.678 -6.277 1.00 0.00 H new ATOM 0 HG12 VAL A 58 15.434 -2.126 -7.224 1.00 0.00 H new ATOM 0 HG13 VAL A 58 14.795 -0.536 -7.704 1.00 0.00 H new ATOM 0 HG21 VAL A 58 14.086 0.440 -4.867 1.00 0.00 H new ATOM 0 HG22 VAL A 58 13.040 0.583 -6.301 1.00 0.00 H new ATOM 0 HG23 VAL A 58 12.433 -0.219 -4.832 1.00 0.00 H new ATOM 926 N ALA A 59 13.369 -4.424 -6.605 1.00 0.00 N ATOM 927 CA ALA A 59 13.925 -5.706 -7.128 1.00 0.00 C ATOM 928 C ALA A 59 13.054 -6.269 -8.249 1.00 0.00 C ATOM 929 O ALA A 59 13.561 -6.821 -9.205 1.00 0.00 O ATOM 930 CB ALA A 59 14.016 -6.750 -6.015 1.00 0.00 C ATOM 0 H ALA A 59 13.058 -4.447 -5.634 1.00 0.00 H new ATOM 0 HA ALA A 59 14.920 -5.489 -7.516 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.424 -7.677 -6.418 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.667 -6.381 -5.223 1.00 0.00 H new ATOM 0 HB3 ALA A 59 13.022 -6.937 -5.610 1.00 0.00 H new ATOM 936 N THR A 60 11.754 -6.172 -8.124 1.00 0.00 N ATOM 937 CA THR A 60 10.838 -6.748 -9.163 1.00 0.00 C ATOM 938 C THR A 60 10.031 -5.632 -9.826 1.00 0.00 C ATOM 939 O THR A 60 9.582 -4.707 -9.178 1.00 0.00 O ATOM 940 CB THR A 60 9.879 -7.743 -8.486 1.00 0.00 C ATOM 941 OG1 THR A 60 10.625 -8.647 -7.678 1.00 0.00 O ATOM 942 CG2 THR A 60 9.112 -8.541 -9.549 1.00 0.00 C ATOM 0 H THR A 60 11.283 -5.716 -7.343 1.00 0.00 H new ATOM 0 HA THR A 60 11.427 -7.258 -9.925 1.00 0.00 H new ATOM 0 HB THR A 60 9.172 -7.188 -7.869 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.450 -8.461 -6.732 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.436 -9.242 -9.060 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.536 -7.857 -10.172 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.818 -9.091 -10.171 1.00 0.00 H new ATOM 950 N GLY A 61 9.831 -5.714 -11.109 1.00 0.00 N ATOM 951 CA GLY A 61 9.046 -4.659 -11.806 1.00 0.00 C ATOM 952 C GLY A 61 7.568 -4.803 -11.428 1.00 0.00 C ATOM 953 O GLY A 61 6.711 -4.131 -11.963 1.00 0.00 O ATOM 0 H GLY A 61 10.177 -6.465 -11.706 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.411 -3.671 -11.526 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.169 -4.750 -12.885 1.00 0.00 H new ATOM 957 N THR A 62 7.265 -5.668 -10.499 1.00 0.00 N ATOM 958 CA THR A 62 5.847 -5.837 -10.080 1.00 0.00 C ATOM 959 C THR A 62 5.378 -4.571 -9.362 1.00 0.00 C ATOM 960 O THR A 62 6.119 -3.969 -8.608 1.00 0.00 O ATOM 961 CB THR A 62 5.733 -7.042 -9.139 1.00 0.00 C ATOM 962 OG1 THR A 62 5.969 -8.234 -9.876 1.00 0.00 O ATOM 963 CG2 THR A 62 4.332 -7.092 -8.517 1.00 0.00 C ATOM 0 H THR A 62 7.937 -6.263 -10.014 1.00 0.00 H new ATOM 0 HA THR A 62 5.222 -6.007 -10.957 1.00 0.00 H new ATOM 0 HB THR A 62 6.471 -6.948 -8.342 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.899 -9.007 -9.278 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.260 -7.951 -7.850 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.152 -6.178 -7.951 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.586 -7.183 -9.307 1.00 0.00 H new ATOM 971 N ASN A 63 4.154 -4.153 -9.597 1.00 0.00 N ATOM 972 CA ASN A 63 3.626 -2.912 -8.940 1.00 0.00 C ATOM 973 C ASN A 63 2.250 -3.182 -8.329 1.00 0.00 C ATOM 974 O ASN A 63 1.370 -3.719 -8.973 1.00 0.00 O ATOM 975 CB ASN A 63 3.480 -1.809 -9.989 1.00 0.00 C ATOM 976 CG ASN A 63 3.061 -0.492 -9.320 1.00 0.00 C ATOM 977 OD1 ASN A 63 3.867 0.402 -9.171 1.00 0.00 O ATOM 978 ND2 ASN A 63 1.834 -0.337 -8.889 1.00 0.00 N ATOM 0 H ASN A 63 3.495 -4.621 -10.219 1.00 0.00 H new ATOM 0 HA ASN A 63 4.321 -2.607 -8.157 1.00 0.00 H new ATOM 0 HB2 ASN A 63 4.424 -1.673 -10.517 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.738 -2.100 -10.732 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.560 0.532 -8.431 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.152 -1.085 -9.012 1.00 0.00 H new ATOM 985 N LEU A 64 2.059 -2.785 -7.091 1.00 0.00 N ATOM 986 CA LEU A 64 0.745 -2.982 -6.412 1.00 0.00 C ATOM 987 C LEU A 64 0.073 -1.609 -6.240 1.00 0.00 C ATOM 988 O LEU A 64 0.670 -0.659 -5.758 1.00 0.00 O ATOM 989 CB LEU A 64 0.976 -3.613 -5.024 1.00 0.00 C ATOM 990 CG LEU A 64 1.211 -5.140 -5.108 1.00 0.00 C ATOM 991 CD1 LEU A 64 -0.098 -5.884 -5.438 1.00 0.00 C ATOM 992 CD2 LEU A 64 2.276 -5.466 -6.165 1.00 0.00 C ATOM 0 H LEU A 64 2.769 -2.328 -6.519 1.00 0.00 H new ATOM 0 HA LEU A 64 0.111 -3.639 -7.007 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.836 -3.140 -4.550 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.113 -3.414 -4.388 1.00 0.00 H new ATOM 0 HG LEU A 64 1.564 -5.476 -4.133 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.096 -6.955 -5.491 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.835 -5.687 -4.659 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.482 -5.537 -6.397 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.427 -6.545 -6.209 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.944 -5.106 -7.139 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.214 -4.979 -5.899 1.00 0.00 H new ATOM 1004 N SER A 65 -1.171 -1.505 -6.622 1.00 0.00 N ATOM 1005 CA SER A 65 -1.919 -0.212 -6.481 1.00 0.00 C ATOM 1006 C SER A 65 -2.724 -0.260 -5.188 1.00 0.00 C ATOM 1007 O SER A 65 -3.166 -1.308 -4.775 1.00 0.00 O ATOM 1008 CB SER A 65 -2.888 -0.051 -7.650 1.00 0.00 C ATOM 1009 OG SER A 65 -3.884 -1.065 -7.564 1.00 0.00 O ATOM 0 H SER A 65 -1.711 -2.267 -7.031 1.00 0.00 H new ATOM 0 HA SER A 65 -1.216 0.621 -6.469 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.351 0.936 -7.623 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.353 -0.127 -8.597 1.00 0.00 H new ATOM 0 HG SER A 65 -4.513 -0.970 -8.309 1.00 0.00 H new ATOM 1015 N LEU A 66 -2.925 0.863 -4.530 1.00 0.00 N ATOM 1016 CA LEU A 66 -3.713 0.831 -3.254 1.00 0.00 C ATOM 1017 C LEU A 66 -4.492 2.139 -3.043 1.00 0.00 C ATOM 1018 O LEU A 66 -4.151 3.179 -3.578 1.00 0.00 O ATOM 1019 CB LEU A 66 -2.773 0.595 -2.059 1.00 0.00 C ATOM 1020 CG LEU A 66 -1.525 1.506 -2.165 1.00 0.00 C ATOM 1021 CD1 LEU A 66 -1.006 1.829 -0.765 1.00 0.00 C ATOM 1022 CD2 LEU A 66 -0.396 0.807 -2.941 1.00 0.00 C ATOM 0 H LEU A 66 -2.585 1.781 -4.815 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.429 0.013 -3.326 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.301 0.798 -1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.466 -0.451 -2.030 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.818 2.415 -2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.128 2.470 -0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.783 2.343 -0.199 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.737 0.904 -0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.468 1.469 -3.001 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.115 -0.112 -2.426 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.740 0.568 -3.947 1.00 0.00 H new ATOM 1034 N GLN A 67 -5.540 2.080 -2.245 1.00 0.00 N ATOM 1035 CA GLN A 67 -6.371 3.291 -1.973 1.00 0.00 C ATOM 1036 C GLN A 67 -6.828 3.264 -0.504 1.00 0.00 C ATOM 1037 O GLN A 67 -7.633 2.443 -0.113 1.00 0.00 O ATOM 1038 CB GLN A 67 -7.605 3.264 -2.886 1.00 0.00 C ATOM 1039 CG GLN A 67 -7.196 2.847 -4.307 1.00 0.00 C ATOM 1040 CD GLN A 67 -7.034 1.328 -4.385 1.00 0.00 C ATOM 1041 OE1 GLN A 67 -7.895 0.584 -3.955 1.00 0.00 O ATOM 1042 NE2 GLN A 67 -5.959 0.833 -4.931 1.00 0.00 N ATOM 0 H GLN A 67 -5.852 1.233 -1.769 1.00 0.00 H new ATOM 0 HA GLN A 67 -5.790 4.194 -2.163 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.344 2.567 -2.492 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.074 4.248 -2.907 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -7.950 3.177 -5.022 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.261 3.335 -4.582 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -5.237 1.456 -5.292 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.840 -0.178 -4.998 1.00 0.00 H new ATOM 1051 N PHE A 68 -6.319 4.151 0.313 1.00 0.00 N ATOM 1052 CA PHE A 68 -6.726 4.176 1.764 1.00 0.00 C ATOM 1053 C PHE A 68 -7.923 5.120 1.967 1.00 0.00 C ATOM 1054 O PHE A 68 -9.038 4.697 2.210 1.00 0.00 O ATOM 1055 CB PHE A 68 -5.538 4.646 2.633 1.00 0.00 C ATOM 1056 CG PHE A 68 -4.599 5.468 1.791 1.00 0.00 C ATOM 1057 CD1 PHE A 68 -3.690 4.828 0.944 1.00 0.00 C ATOM 1058 CD2 PHE A 68 -4.640 6.866 1.850 1.00 0.00 C ATOM 1059 CE1 PHE A 68 -2.819 5.586 0.155 1.00 0.00 C ATOM 1060 CE2 PHE A 68 -3.771 7.625 1.061 1.00 0.00 C ATOM 1061 CZ PHE A 68 -2.858 6.983 0.216 1.00 0.00 C ATOM 0 H PHE A 68 -5.639 4.862 0.044 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.017 3.169 2.064 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.900 5.236 3.475 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.014 3.785 3.048 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.660 3.749 0.899 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.343 7.358 2.505 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.117 5.093 -0.501 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.804 8.704 1.103 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.182 7.568 -0.390 1.00 0.00 H new ATOM 1071 N PHE A 69 -7.684 6.409 1.889 1.00 0.00 N ATOM 1072 CA PHE A 69 -8.783 7.405 2.103 1.00 0.00 C ATOM 1073 C PHE A 69 -8.577 8.648 1.225 1.00 0.00 C ATOM 1074 O PHE A 69 -8.024 9.635 1.668 1.00 0.00 O ATOM 1075 CB PHE A 69 -8.796 7.822 3.578 1.00 0.00 C ATOM 1076 CG PHE A 69 -9.874 8.854 3.838 1.00 0.00 C ATOM 1077 CD1 PHE A 69 -11.216 8.530 3.613 1.00 0.00 C ATOM 1078 CD2 PHE A 69 -9.536 10.129 4.333 1.00 0.00 C ATOM 1079 CE1 PHE A 69 -12.216 9.471 3.874 1.00 0.00 C ATOM 1080 CE2 PHE A 69 -10.538 11.068 4.588 1.00 0.00 C ATOM 1081 CZ PHE A 69 -11.876 10.740 4.363 1.00 0.00 C ATOM 0 H PHE A 69 -6.771 6.815 1.685 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.732 6.944 1.829 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.965 6.947 4.206 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.823 8.229 3.854 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.480 7.552 3.237 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.502 10.380 4.515 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.252 9.220 3.699 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -10.278 12.048 4.959 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.650 11.465 4.566 1.00 0.00 H new ATOM 1091 N PRO A 70 -9.038 8.617 -0.002 1.00 0.00 N ATOM 1092 CA PRO A 70 -8.935 9.778 -0.936 1.00 0.00 C ATOM 1093 C PRO A 70 -10.137 10.735 -0.792 1.00 0.00 C ATOM 1094 O PRO A 70 -11.264 10.301 -0.639 1.00 0.00 O ATOM 1095 CB PRO A 70 -8.941 9.087 -2.293 1.00 0.00 C ATOM 1096 CG PRO A 70 -9.871 7.929 -2.112 1.00 0.00 C ATOM 1097 CD PRO A 70 -9.694 7.466 -0.658 1.00 0.00 C ATOM 0 HA PRO A 70 -8.061 10.405 -0.759 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -9.288 9.757 -3.079 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -7.942 8.755 -2.575 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -10.903 8.223 -2.305 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.633 7.125 -2.809 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.652 7.232 -0.193 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.081 6.567 -0.596 1.00 0.00 H new ATOM 1105 N ALA A 71 -9.915 12.029 -0.814 1.00 0.00 N ATOM 1106 CA ALA A 71 -11.057 12.969 -0.661 1.00 0.00 C ATOM 1107 C ALA A 71 -12.063 12.733 -1.793 1.00 0.00 C ATOM 1108 O ALA A 71 -13.264 12.735 -1.592 1.00 0.00 O ATOM 1109 CB ALA A 71 -10.523 14.406 -0.694 1.00 0.00 C ATOM 0 H ALA A 71 -9.000 12.465 -0.930 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.564 12.803 0.290 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -11.352 15.105 -0.583 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.815 14.550 0.122 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -10.022 14.586 -1.645 1.00 0.00 H new ATOM 1115 N SER A 72 -11.566 12.505 -2.983 1.00 0.00 N ATOM 1116 CA SER A 72 -12.464 12.240 -4.142 1.00 0.00 C ATOM 1117 C SER A 72 -11.612 12.038 -5.400 1.00 0.00 C ATOM 1118 O SER A 72 -10.519 12.560 -5.509 1.00 0.00 O ATOM 1119 CB SER A 72 -13.405 13.423 -4.348 1.00 0.00 C ATOM 1120 OG SER A 72 -13.850 13.427 -5.695 1.00 0.00 O ATOM 0 H SER A 72 -10.569 12.492 -3.200 1.00 0.00 H new ATOM 0 HA SER A 72 -13.055 11.345 -3.948 1.00 0.00 H new ATOM 0 HB2 SER A 72 -14.256 13.351 -3.670 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.892 14.357 -4.118 1.00 0.00 H new ATOM 0 HG SER A 72 -14.791 13.155 -5.729 1.00 0.00 H new ATOM 1126 N TRP A 73 -12.098 11.288 -6.356 1.00 0.00 N ATOM 1127 CA TRP A 73 -11.304 11.064 -7.605 1.00 0.00 C ATOM 1128 C TRP A 73 -11.520 12.232 -8.575 1.00 0.00 C ATOM 1129 O TRP A 73 -10.709 13.133 -8.669 1.00 0.00 O ATOM 1130 CB TRP A 73 -11.762 9.737 -8.243 1.00 0.00 C ATOM 1131 CG TRP A 73 -10.847 9.306 -9.361 1.00 0.00 C ATOM 1132 CD1 TRP A 73 -9.485 9.333 -9.331 1.00 0.00 C ATOM 1133 CD2 TRP A 73 -11.203 8.743 -10.664 1.00 0.00 C ATOM 1134 NE1 TRP A 73 -8.999 8.842 -10.528 1.00 0.00 N ATOM 1135 CE2 TRP A 73 -10.011 8.468 -11.380 1.00 0.00 C ATOM 1136 CE3 TRP A 73 -12.429 8.452 -11.298 1.00 0.00 C ATOM 1137 CZ2 TRP A 73 -10.032 7.921 -12.665 1.00 0.00 C ATOM 1138 CZ3 TRP A 73 -12.454 7.905 -12.591 1.00 0.00 C ATOM 1139 CH2 TRP A 73 -11.258 7.642 -13.272 1.00 0.00 C ATOM 0 H TRP A 73 -13.005 10.823 -6.328 1.00 0.00 H new ATOM 0 HA TRP A 73 -10.241 11.008 -7.372 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -11.794 8.959 -7.480 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -12.776 9.849 -8.627 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -8.883 9.682 -8.505 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -8.007 8.766 -10.753 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -13.358 8.652 -10.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -9.108 7.716 -13.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -13.400 7.686 -13.063 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -11.285 7.223 -14.267 1.00 0.00 H new ATOM 1150 N GLN A 74 -12.611 12.234 -9.286 1.00 0.00 N ATOM 1151 CA GLN A 74 -12.899 13.352 -10.243 1.00 0.00 C ATOM 1152 C GLN A 74 -13.801 14.415 -9.596 1.00 0.00 C ATOM 1153 O GLN A 74 -14.310 15.291 -10.270 1.00 0.00 O ATOM 1154 CB GLN A 74 -13.610 12.780 -11.466 1.00 0.00 C ATOM 1155 CG GLN A 74 -12.711 11.751 -12.153 1.00 0.00 C ATOM 1156 CD GLN A 74 -11.431 12.433 -12.649 1.00 0.00 C ATOM 1157 OE1 GLN A 74 -11.480 13.532 -13.163 1.00 0.00 O ATOM 1158 NE2 GLN A 74 -10.281 11.833 -12.507 1.00 0.00 N ATOM 0 H GLN A 74 -13.325 11.506 -9.249 1.00 0.00 H new ATOM 0 HA GLN A 74 -11.957 13.821 -10.525 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -14.549 12.314 -11.167 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -13.859 13.582 -12.162 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -12.462 10.950 -11.457 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -13.239 11.294 -12.990 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -10.237 10.910 -12.076 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -9.426 12.287 -12.827 1.00 0.00 H new ATOM 1167 N GLY A 75 -14.040 14.341 -8.311 1.00 0.00 N ATOM 1168 CA GLY A 75 -14.947 15.344 -7.668 1.00 0.00 C ATOM 1169 C GLY A 75 -14.297 16.731 -7.606 1.00 0.00 C ATOM 1170 O GLY A 75 -13.092 16.879 -7.520 1.00 0.00 O ATOM 0 H GLY A 75 -13.651 13.637 -7.683 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -15.881 15.403 -8.228 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -15.200 15.014 -6.660 1.00 0.00 H new ATOM 1174 N GLU A 76 -15.110 17.754 -7.630 1.00 0.00 N ATOM 1175 CA GLU A 76 -14.600 19.154 -7.559 1.00 0.00 C ATOM 1176 C GLU A 76 -14.797 19.664 -6.135 1.00 0.00 C ATOM 1177 O GLU A 76 -14.882 20.850 -5.894 1.00 0.00 O ATOM 1178 CB GLU A 76 -15.388 20.021 -8.549 1.00 0.00 C ATOM 1179 CG GLU A 76 -16.843 20.141 -8.089 1.00 0.00 C ATOM 1180 CD GLU A 76 -17.676 20.778 -9.201 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -17.739 21.995 -9.243 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -18.231 20.037 -9.996 1.00 0.00 O ATOM 0 H GLU A 76 -16.125 17.676 -7.697 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.542 19.196 -7.817 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.936 21.011 -8.619 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.347 19.580 -9.545 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -17.240 19.157 -7.841 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -16.901 20.746 -7.184 1.00 0.00 H new ATOM 1189 N GLN A 77 -14.887 18.764 -5.195 1.00 0.00 N ATOM 1190 CA GLN A 77 -15.094 19.171 -3.782 1.00 0.00 C ATOM 1191 C GLN A 77 -13.919 20.021 -3.318 1.00 0.00 C ATOM 1192 O GLN A 77 -13.364 20.793 -4.076 1.00 0.00 O ATOM 1193 CB GLN A 77 -15.220 17.921 -2.912 1.00 0.00 C ATOM 1194 CG GLN A 77 -13.939 17.080 -2.982 1.00 0.00 C ATOM 1195 CD GLN A 77 -14.209 15.734 -2.308 1.00 0.00 C ATOM 1196 OE1 GLN A 77 -15.236 15.127 -2.531 1.00 0.00 O ATOM 1197 NE2 GLN A 77 -13.335 15.242 -1.482 1.00 0.00 N ATOM 0 H GLN A 77 -14.825 17.758 -5.349 1.00 0.00 H new ATOM 0 HA GLN A 77 -16.007 19.759 -3.697 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -15.416 18.209 -1.879 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -16.071 17.325 -3.244 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -13.639 16.931 -4.019 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -13.119 17.596 -2.484 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -12.471 15.749 -1.292 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -13.513 14.348 -1.023 1.00 0.00 H new ATOM 1206 N ARG A 78 -13.535 19.899 -2.081 1.00 0.00 N ATOM 1207 CA ARG A 78 -12.396 20.706 -1.573 1.00 0.00 C ATOM 1208 C ARG A 78 -11.104 19.924 -1.748 1.00 0.00 C ATOM 1209 O ARG A 78 -11.048 18.722 -1.568 1.00 0.00 O ATOM 1210 CB ARG A 78 -12.605 20.997 -0.087 1.00 0.00 C ATOM 1211 CG ARG A 78 -13.791 21.979 0.118 1.00 0.00 C ATOM 1212 CD ARG A 78 -15.060 21.199 0.475 1.00 0.00 C ATOM 1213 NE ARG A 78 -16.265 22.070 0.291 1.00 0.00 N ATOM 1214 CZ ARG A 78 -16.406 23.198 0.935 1.00 0.00 C ATOM 1215 NH1 ARG A 78 -15.543 23.575 1.839 1.00 0.00 N ATOM 1216 NH2 ARG A 78 -17.441 23.947 0.690 1.00 0.00 N ATOM 0 H ARG A 78 -13.962 19.273 -1.398 1.00 0.00 H new ATOM 0 HA ARG A 78 -12.338 21.642 -2.129 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -12.800 20.067 0.447 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.696 21.423 0.337 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -13.554 22.688 0.912 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.954 22.560 -0.790 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -15.142 20.313 -0.155 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -15.006 20.852 1.507 1.00 0.00 H new ATOM 0 HE ARG A 78 -16.996 21.774 -0.356 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.739 22.985 2.054 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.672 24.460 2.330 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -18.133 23.652 0.001 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -17.561 24.830 1.187 1.00 0.00 H new ATOM 1230 N GLN A 79 -10.068 20.610 -2.107 1.00 0.00 N ATOM 1231 CA GLN A 79 -8.753 19.960 -2.320 1.00 0.00 C ATOM 1232 C GLN A 79 -8.074 19.778 -0.961 1.00 0.00 C ATOM 1233 O GLN A 79 -6.873 19.900 -0.827 1.00 0.00 O ATOM 1234 CB GLN A 79 -7.905 20.854 -3.247 1.00 0.00 C ATOM 1235 CG GLN A 79 -8.331 22.320 -3.080 1.00 0.00 C ATOM 1236 CD GLN A 79 -8.399 22.686 -1.590 1.00 0.00 C ATOM 1237 OE1 GLN A 79 -7.385 22.743 -0.922 1.00 0.00 O ATOM 1238 NE2 GLN A 79 -9.557 22.931 -1.037 1.00 0.00 N ATOM 0 H GLN A 79 -10.075 21.617 -2.266 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.869 18.982 -2.788 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.847 20.743 -3.008 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -8.032 20.544 -4.284 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.623 22.973 -3.590 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.304 22.479 -3.546 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -10.409 22.884 -1.596 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.609 23.170 -0.047 1.00 0.00 H new ATOM 1247 N THR A 80 -8.840 19.487 0.050 1.00 0.00 N ATOM 1248 CA THR A 80 -8.243 19.296 1.398 1.00 0.00 C ATOM 1249 C THR A 80 -7.576 17.912 1.447 1.00 0.00 C ATOM 1250 O THR A 80 -8.073 16.976 0.850 1.00 0.00 O ATOM 1251 CB THR A 80 -9.345 19.380 2.463 1.00 0.00 C ATOM 1252 OG1 THR A 80 -8.741 19.378 3.745 1.00 0.00 O ATOM 1253 CG2 THR A 80 -10.305 18.185 2.345 1.00 0.00 C ATOM 0 H THR A 80 -9.852 19.373 0.002 1.00 0.00 H new ATOM 0 HA THR A 80 -7.502 20.071 1.594 1.00 0.00 H new ATOM 0 HB THR A 80 -9.917 20.296 2.316 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.436 19.433 4.434 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.079 18.263 3.109 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.768 18.186 1.358 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.750 17.257 2.484 1.00 0.00 H new ATOM 1261 N PRO A 81 -6.454 17.767 2.131 1.00 0.00 N ATOM 1262 CA PRO A 81 -5.729 16.452 2.215 1.00 0.00 C ATOM 1263 C PRO A 81 -6.411 15.463 3.173 1.00 0.00 C ATOM 1264 O PRO A 81 -7.432 15.752 3.767 1.00 0.00 O ATOM 1265 CB PRO A 81 -4.352 16.860 2.765 1.00 0.00 C ATOM 1266 CG PRO A 81 -4.631 18.057 3.617 1.00 0.00 C ATOM 1267 CD PRO A 81 -5.749 18.821 2.898 1.00 0.00 C ATOM 0 HA PRO A 81 -5.697 15.937 1.255 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.902 16.055 3.346 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.657 17.099 1.960 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.940 17.761 4.620 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -3.741 18.676 3.727 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -6.415 19.316 3.605 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.349 19.594 2.242 1.00 0.00 H new ATOM 1275 N SER A 82 -5.820 14.303 3.351 1.00 0.00 N ATOM 1276 CA SER A 82 -6.385 13.302 4.305 1.00 0.00 C ATOM 1277 C SER A 82 -5.708 13.504 5.649 1.00 0.00 C ATOM 1278 O SER A 82 -4.504 13.369 5.784 1.00 0.00 O ATOM 1279 CB SER A 82 -6.124 11.874 3.818 1.00 0.00 C ATOM 1280 OG SER A 82 -6.198 10.974 4.927 1.00 0.00 O ATOM 0 H SER A 82 -4.968 14.009 2.873 1.00 0.00 H new ATOM 0 HA SER A 82 -7.463 13.442 4.383 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.857 11.596 3.060 1.00 0.00 H new ATOM 0 HB3 SER A 82 -5.142 11.811 3.349 1.00 0.00 H new ATOM 0 HG SER A 82 -6.033 10.059 4.617 1.00 0.00 H new ATOM 1286 N ARG A 83 -6.474 13.817 6.637 1.00 0.00 N ATOM 1287 CA ARG A 83 -5.916 14.030 7.989 1.00 0.00 C ATOM 1288 C ARG A 83 -5.220 12.754 8.448 1.00 0.00 C ATOM 1289 O ARG A 83 -4.223 12.791 9.144 1.00 0.00 O ATOM 1290 CB ARG A 83 -7.070 14.340 8.940 1.00 0.00 C ATOM 1291 CG ARG A 83 -6.515 14.744 10.303 1.00 0.00 C ATOM 1292 CD ARG A 83 -7.671 14.928 11.285 1.00 0.00 C ATOM 1293 NE ARG A 83 -8.620 15.976 10.773 1.00 0.00 N ATOM 1294 CZ ARG A 83 -8.244 17.209 10.569 1.00 0.00 C ATOM 1295 NH1 ARG A 83 -7.054 17.613 10.922 1.00 0.00 N ATOM 1296 NH2 ARG A 83 -9.088 18.055 10.048 1.00 0.00 N ATOM 0 H ARG A 83 -7.484 13.938 6.567 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.201 14.853 7.979 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.684 15.144 8.533 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.715 13.467 9.043 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.829 13.980 10.670 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.945 15.669 10.217 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.198 13.983 11.420 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.286 15.221 12.262 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.587 15.715 10.579 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -6.405 16.962 11.363 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -6.774 18.580 10.756 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.031 17.751 9.805 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -8.806 19.021 9.884 1.00 0.00 H new ATOM 1310 N GLU A 84 -5.747 11.624 8.068 1.00 0.00 N ATOM 1311 CA GLU A 84 -5.133 10.329 8.487 1.00 0.00 C ATOM 1312 C GLU A 84 -3.673 10.287 8.028 1.00 0.00 C ATOM 1313 O GLU A 84 -2.811 9.756 8.698 1.00 0.00 O ATOM 1314 CB GLU A 84 -5.907 9.164 7.852 1.00 0.00 C ATOM 1315 CG GLU A 84 -7.350 9.166 8.382 1.00 0.00 C ATOM 1316 CD GLU A 84 -8.150 8.010 7.766 1.00 0.00 C ATOM 1317 OE1 GLU A 84 -7.757 7.528 6.717 1.00 0.00 O ATOM 1318 OE2 GLU A 84 -9.153 7.631 8.351 1.00 0.00 O ATOM 0 H GLU A 84 -6.579 11.539 7.484 1.00 0.00 H new ATOM 0 HA GLU A 84 -5.175 10.240 9.573 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.906 9.260 6.766 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.421 8.217 8.089 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.345 9.074 9.468 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.830 10.115 8.144 1.00 0.00 H new ATOM 1325 N TYR A 85 -3.398 10.837 6.885 1.00 0.00 N ATOM 1326 CA TYR A 85 -2.002 10.829 6.348 1.00 0.00 C ATOM 1327 C TYR A 85 -1.058 11.613 7.268 1.00 0.00 C ATOM 1328 O TYR A 85 0.045 11.186 7.544 1.00 0.00 O ATOM 1329 CB TYR A 85 -2.054 11.410 4.905 1.00 0.00 C ATOM 1330 CG TYR A 85 -1.046 12.520 4.638 1.00 0.00 C ATOM 1331 CD1 TYR A 85 0.329 12.273 4.760 1.00 0.00 C ATOM 1332 CD2 TYR A 85 -1.493 13.784 4.212 1.00 0.00 C ATOM 1333 CE1 TYR A 85 1.254 13.286 4.461 1.00 0.00 C ATOM 1334 CE2 TYR A 85 -0.570 14.795 3.916 1.00 0.00 C ATOM 1335 CZ TYR A 85 0.803 14.544 4.034 1.00 0.00 C ATOM 1336 OH TYR A 85 1.721 15.534 3.739 1.00 0.00 O ATOM 0 H TYR A 85 -4.084 11.299 6.288 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.602 9.816 6.312 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.883 10.601 4.194 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -3.057 11.793 4.716 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.677 11.303 5.084 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.551 13.975 4.113 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.313 13.097 4.560 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.916 15.767 3.597 1.00 0.00 H new ATOM 0 HH TYR A 85 1.248 16.345 3.457 1.00 0.00 H new ATOM 1346 N VAL A 86 -1.472 12.733 7.767 1.00 0.00 N ATOM 1347 CA VAL A 86 -0.571 13.508 8.674 1.00 0.00 C ATOM 1348 C VAL A 86 -0.810 13.083 10.122 1.00 0.00 C ATOM 1349 O VAL A 86 -0.398 13.742 11.054 1.00 0.00 O ATOM 1350 CB VAL A 86 -0.816 15.006 8.479 1.00 0.00 C ATOM 1351 CG1 VAL A 86 0.378 15.808 9.019 1.00 0.00 C ATOM 1352 CG2 VAL A 86 -0.954 15.288 6.982 1.00 0.00 C ATOM 0 H VAL A 86 -2.386 13.151 7.594 1.00 0.00 H new ATOM 0 HA VAL A 86 0.471 13.301 8.432 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.721 15.297 9.013 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.195 16.873 8.876 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.505 15.601 10.082 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.282 15.520 8.483 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.129 16.353 6.827 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.038 14.993 6.470 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.793 14.720 6.581 1.00 0.00 H new ATOM 1362 N ASP A 87 -1.438 11.950 10.315 1.00 0.00 N ATOM 1363 CA ASP A 87 -1.659 11.442 11.705 1.00 0.00 C ATOM 1364 C ASP A 87 -0.546 10.436 11.989 1.00 0.00 C ATOM 1365 O ASP A 87 -0.353 10.001 13.106 1.00 0.00 O ATOM 1366 CB ASP A 87 -3.052 10.764 11.824 1.00 0.00 C ATOM 1367 CG ASP A 87 -2.995 9.249 11.540 1.00 0.00 C ATOM 1368 OD1 ASP A 87 -2.282 8.557 12.253 1.00 0.00 O ATOM 1369 OD2 ASP A 87 -3.675 8.805 10.635 1.00 0.00 O ATOM 0 H ASP A 87 -1.807 11.356 9.572 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.637 12.259 12.426 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.449 10.928 12.826 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.744 11.236 11.126 1.00 0.00 H new ATOM 1374 N LEU A 88 0.191 10.064 10.969 1.00 0.00 N ATOM 1375 CA LEU A 88 1.307 9.086 11.152 1.00 0.00 C ATOM 1376 C LEU A 88 2.592 9.756 10.697 1.00 0.00 C ATOM 1377 O LEU A 88 3.674 9.255 10.917 1.00 0.00 O ATOM 1378 CB LEU A 88 1.027 7.776 10.367 1.00 0.00 C ATOM 1379 CG LEU A 88 0.150 8.032 9.125 1.00 0.00 C ATOM 1380 CD1 LEU A 88 0.984 8.661 8.002 1.00 0.00 C ATOM 1381 CD2 LEU A 88 -0.408 6.698 8.625 1.00 0.00 C ATOM 0 H LEU A 88 0.065 10.398 10.014 1.00 0.00 H new ATOM 0 HA LEU A 88 1.398 8.802 12.200 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.971 7.327 10.059 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.531 7.059 11.021 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.658 8.710 9.399 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.350 8.835 7.132 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.399 9.609 8.344 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.796 7.986 7.730 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.030 6.870 7.746 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.416 6.035 8.362 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.008 6.238 9.410 1.00 0.00 H new ATOM 1393 N GLU A 89 2.474 10.914 10.105 1.00 0.00 N ATOM 1394 CA GLU A 89 3.692 11.651 9.674 1.00 0.00 C ATOM 1395 C GLU A 89 4.292 12.297 10.919 1.00 0.00 C ATOM 1396 O GLU A 89 5.491 12.363 11.102 1.00 0.00 O ATOM 1397 CB GLU A 89 3.305 12.752 8.690 1.00 0.00 C ATOM 1398 CG GLU A 89 4.574 13.328 8.063 1.00 0.00 C ATOM 1399 CD GLU A 89 4.208 14.497 7.147 1.00 0.00 C ATOM 1400 OE1 GLU A 89 3.723 14.236 6.060 1.00 0.00 O ATOM 1401 OE2 GLU A 89 4.437 15.631 7.538 1.00 0.00 O ATOM 0 H GLU A 89 1.589 11.379 9.903 1.00 0.00 H new ATOM 0 HA GLU A 89 4.399 10.975 9.194 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.651 12.352 7.916 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.749 13.537 9.203 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.257 13.664 8.843 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.094 12.556 7.495 1.00 0.00 H new ATOM 1408 N ARG A 90 3.436 12.765 11.783 1.00 0.00 N ATOM 1409 CA ARG A 90 3.890 13.406 13.043 1.00 0.00 C ATOM 1410 C ARG A 90 4.527 12.346 13.951 1.00 0.00 C ATOM 1411 O ARG A 90 5.358 12.648 14.781 1.00 0.00 O ATOM 1412 CB ARG A 90 2.686 14.073 13.747 1.00 0.00 C ATOM 1413 CG ARG A 90 3.148 14.917 14.962 1.00 0.00 C ATOM 1414 CD ARG A 90 3.541 16.340 14.523 1.00 0.00 C ATOM 1415 NE ARG A 90 2.299 17.149 14.297 1.00 0.00 N ATOM 1416 CZ ARG A 90 2.368 18.443 14.122 1.00 0.00 C ATOM 1417 NH1 ARG A 90 3.527 19.051 14.125 1.00 0.00 N ATOM 1418 NH2 ARG A 90 1.278 19.132 13.930 1.00 0.00 N ATOM 0 H ARG A 90 2.424 12.729 11.665 1.00 0.00 H new ATOM 0 HA ARG A 90 4.633 14.173 12.823 1.00 0.00 H new ATOM 0 HB2 ARG A 90 2.154 14.709 13.040 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.984 13.307 14.078 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.348 14.968 15.700 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.997 14.433 15.445 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.161 16.810 15.286 1.00 0.00 H new ATOM 0 HD3 ARG A 90 4.134 16.300 13.610 1.00 0.00 H new ATOM 0 HE ARG A 90 1.391 16.685 14.280 1.00 0.00 H new ATOM 0 HH11 ARG A 90 4.384 18.515 14.264 1.00 0.00 H new ATOM 0 HH12 ARG A 90 3.574 20.061 13.988 1.00 0.00 H new ATOM 0 HH21 ARG A 90 0.373 18.662 13.916 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.330 20.141 13.793 1.00 0.00 H new ATOM 1432 N GLU A 91 4.114 11.109 13.825 1.00 0.00 N ATOM 1433 CA GLU A 91 4.666 10.044 14.717 1.00 0.00 C ATOM 1434 C GLU A 91 6.089 9.626 14.305 1.00 0.00 C ATOM 1435 O GLU A 91 7.051 10.279 14.659 1.00 0.00 O ATOM 1436 CB GLU A 91 3.723 8.831 14.687 1.00 0.00 C ATOM 1437 CG GLU A 91 4.175 7.787 15.711 1.00 0.00 C ATOM 1438 CD GLU A 91 3.262 6.560 15.642 1.00 0.00 C ATOM 1439 OE1 GLU A 91 3.194 5.955 14.588 1.00 0.00 O ATOM 1440 OE2 GLU A 91 2.645 6.247 16.649 1.00 0.00 O ATOM 0 H GLU A 91 3.422 10.792 13.146 1.00 0.00 H new ATOM 0 HA GLU A 91 4.733 10.443 15.729 1.00 0.00 H new ATOM 0 HB2 GLU A 91 2.703 9.148 14.905 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.714 8.393 13.689 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.207 7.495 15.514 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.150 8.214 16.714 1.00 0.00 H new ATOM 1447 N ALA A 92 6.245 8.545 13.587 1.00 0.00 N ATOM 1448 CA ALA A 92 7.622 8.105 13.206 1.00 0.00 C ATOM 1449 C ALA A 92 8.343 9.196 12.412 1.00 0.00 C ATOM 1450 O ALA A 92 9.520 9.085 12.134 1.00 0.00 O ATOM 1451 CB ALA A 92 7.564 6.826 12.349 1.00 0.00 C ATOM 0 H ALA A 92 5.487 7.952 13.250 1.00 0.00 H new ATOM 0 HA ALA A 92 8.169 7.906 14.127 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.576 6.521 12.081 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.083 6.029 12.916 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.992 7.021 11.442 1.00 0.00 H new ATOM 1457 N GLY A 93 7.666 10.231 12.003 1.00 0.00 N ATOM 1458 CA GLY A 93 8.365 11.264 11.187 1.00 0.00 C ATOM 1459 C GLY A 93 8.416 10.709 9.769 1.00 0.00 C ATOM 1460 O GLY A 93 9.175 11.149 8.932 1.00 0.00 O ATOM 0 H GLY A 93 6.679 10.406 12.192 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.830 12.213 11.216 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.368 11.452 11.570 1.00 0.00 H new ATOM 1464 N LYS A 94 7.604 9.701 9.533 1.00 0.00 N ATOM 1465 CA LYS A 94 7.557 9.025 8.198 1.00 0.00 C ATOM 1466 C LYS A 94 6.093 8.875 7.771 1.00 0.00 C ATOM 1467 O LYS A 94 5.195 8.914 8.586 1.00 0.00 O ATOM 1468 CB LYS A 94 8.156 7.625 8.337 1.00 0.00 C ATOM 1469 CG LYS A 94 9.512 7.723 9.030 1.00 0.00 C ATOM 1470 CD LYS A 94 10.219 6.376 8.948 1.00 0.00 C ATOM 1471 CE LYS A 94 11.472 6.398 9.829 1.00 0.00 C ATOM 1472 NZ LYS A 94 11.080 6.483 11.268 1.00 0.00 N ATOM 0 H LYS A 94 6.961 9.314 10.224 1.00 0.00 H new ATOM 0 HA LYS A 94 8.112 9.610 7.465 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.486 6.986 8.912 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.269 7.166 7.355 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.120 8.495 8.557 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.380 8.015 10.072 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.548 5.581 9.273 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.492 6.160 7.915 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.064 5.499 9.657 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.099 7.249 9.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 11.923 6.361 11.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.653 7.412 11.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.391 5.735 11.485 1.00 0.00 H new ATOM 1486 N VAL A 95 5.849 8.678 6.497 1.00 0.00 N ATOM 1487 CA VAL A 95 4.442 8.509 6.014 1.00 0.00 C ATOM 1488 C VAL A 95 4.256 7.079 5.516 1.00 0.00 C ATOM 1489 O VAL A 95 5.017 6.610 4.693 1.00 0.00 O ATOM 1490 CB VAL A 95 4.201 9.455 4.847 1.00 0.00 C ATOM 1491 CG1 VAL A 95 2.744 9.348 4.397 1.00 0.00 C ATOM 1492 CG2 VAL A 95 4.485 10.888 5.274 1.00 0.00 C ATOM 0 H VAL A 95 6.564 8.627 5.771 1.00 0.00 H new ATOM 0 HA VAL A 95 3.747 8.723 6.826 1.00 0.00 H new ATOM 0 HB VAL A 95 4.864 9.183 4.026 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.571 10.026 3.561 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.534 8.325 4.085 1.00 0.00 H new ATOM 0 HG13 VAL A 95 2.087 9.617 5.224 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.310 11.560 4.433 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.826 11.159 6.098 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.523 10.973 5.596 1.00 0.00 H new ATOM 1502 N TYR A 96 3.248 6.382 5.977 1.00 0.00 N ATOM 1503 CA TYR A 96 3.036 4.988 5.485 1.00 0.00 C ATOM 1504 C TYR A 96 1.560 4.636 5.451 1.00 0.00 C ATOM 1505 O TYR A 96 0.744 5.270 6.089 1.00 0.00 O ATOM 1506 CB TYR A 96 3.777 3.991 6.367 1.00 0.00 C ATOM 1507 CG TYR A 96 3.168 3.897 7.751 1.00 0.00 C ATOM 1508 CD1 TYR A 96 3.508 4.847 8.726 1.00 0.00 C ATOM 1509 CD2 TYR A 96 2.317 2.832 8.079 1.00 0.00 C ATOM 1510 CE1 TYR A 96 2.991 4.740 10.022 1.00 0.00 C ATOM 1511 CE2 TYR A 96 1.800 2.722 9.374 1.00 0.00 C ATOM 1512 CZ TYR A 96 2.137 3.676 10.348 1.00 0.00 C ATOM 1513 OH TYR A 96 1.628 3.570 11.628 1.00 0.00 O ATOM 0 H TYR A 96 2.571 6.713 6.664 1.00 0.00 H new ATOM 0 HA TYR A 96 3.430 4.934 4.470 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.761 3.008 5.896 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.823 4.287 6.450 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.170 5.663 8.476 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.061 2.096 7.331 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.249 5.475 10.770 1.00 0.00 H new ATOM 0 HE2 TYR A 96 1.142 1.903 9.625 1.00 0.00 H new ATOM 0 HH TYR A 96 1.053 2.778 11.687 1.00 0.00 H new ATOM 1523 N LEU A 97 1.218 3.610 4.705 1.00 0.00 N ATOM 1524 CA LEU A 97 -0.209 3.177 4.621 1.00 0.00 C ATOM 1525 C LEU A 97 -0.327 1.639 4.683 1.00 0.00 C ATOM 1526 O LEU A 97 0.461 0.891 4.107 1.00 0.00 O ATOM 1527 CB LEU A 97 -0.887 3.726 3.340 1.00 0.00 C ATOM 1528 CG LEU A 97 0.098 3.881 2.156 1.00 0.00 C ATOM 1529 CD1 LEU A 97 1.127 5.009 2.400 1.00 0.00 C ATOM 1530 CD2 LEU A 97 0.807 2.558 1.884 1.00 0.00 C ATOM 0 H LEU A 97 1.870 3.055 4.151 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.730 3.593 5.483 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.696 3.056 3.048 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.338 4.694 3.560 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.484 4.161 1.278 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.797 5.081 1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.604 5.956 2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.706 4.786 3.296 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.497 2.680 1.049 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.361 2.253 2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.070 1.794 1.637 1.00 0.00 H new ATOM 1542 N LYS A 98 -1.333 1.188 5.396 1.00 0.00 N ATOM 1543 CA LYS A 98 -1.616 -0.256 5.567 1.00 0.00 C ATOM 1544 C LYS A 98 -2.960 -0.571 4.898 1.00 0.00 C ATOM 1545 O LYS A 98 -3.937 0.120 5.117 1.00 0.00 O ATOM 1546 CB LYS A 98 -1.697 -0.510 7.077 1.00 0.00 C ATOM 1547 CG LYS A 98 -2.055 -1.969 7.357 1.00 0.00 C ATOM 1548 CD LYS A 98 -2.379 -2.158 8.848 1.00 0.00 C ATOM 1549 CE LYS A 98 -1.136 -1.917 9.707 1.00 0.00 C ATOM 1550 NZ LYS A 98 0.016 -2.659 9.128 1.00 0.00 N ATOM 0 H LYS A 98 -1.991 1.797 5.883 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.848 -0.884 5.116 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.742 -0.268 7.544 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.445 0.146 7.522 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.911 -2.264 6.751 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.225 -2.616 7.073 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.170 -1.469 9.143 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.755 -3.167 9.018 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -0.912 -0.851 9.750 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.318 -2.246 10.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 0.712 -2.858 9.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.318 -3.555 8.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 0.461 -2.084 8.385 1.00 0.00 H new ATOM 1564 N ALA A 99 -3.042 -1.599 4.084 1.00 0.00 N ATOM 1565 CA ALA A 99 -4.367 -1.898 3.436 1.00 0.00 C ATOM 1566 C ALA A 99 -4.471 -3.377 3.000 1.00 0.00 C ATOM 1567 O ALA A 99 -3.601 -3.867 2.306 1.00 0.00 O ATOM 1568 CB ALA A 99 -4.523 -1.023 2.187 1.00 0.00 C ATOM 0 H ALA A 99 -2.276 -2.228 3.844 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.148 -1.692 4.168 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -5.481 -1.234 1.712 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.483 0.028 2.472 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -3.716 -1.240 1.488 1.00 0.00 H new ATOM 1574 N PRO A 100 -5.548 -4.075 3.332 1.00 0.00 N ATOM 1575 CA PRO A 100 -5.758 -5.486 2.882 1.00 0.00 C ATOM 1576 C PRO A 100 -6.408 -5.538 1.489 1.00 0.00 C ATOM 1577 O PRO A 100 -7.601 -5.348 1.344 1.00 0.00 O ATOM 1578 CB PRO A 100 -6.714 -6.037 3.938 1.00 0.00 C ATOM 1579 CG PRO A 100 -7.580 -4.868 4.272 1.00 0.00 C ATOM 1580 CD PRO A 100 -6.671 -3.632 4.189 1.00 0.00 C ATOM 0 HA PRO A 100 -4.828 -6.048 2.793 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -7.299 -6.872 3.553 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -6.177 -6.401 4.814 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.413 -4.787 3.574 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -8.008 -4.972 5.269 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -7.194 -2.780 3.754 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -6.324 -3.324 5.175 1.00 0.00 H new ATOM 1588 N MET A 101 -5.627 -5.779 0.463 1.00 0.00 N ATOM 1589 CA MET A 101 -6.198 -5.823 -0.937 1.00 0.00 C ATOM 1590 C MET A 101 -6.456 -7.261 -1.389 1.00 0.00 C ATOM 1591 O MET A 101 -5.604 -8.113 -1.292 1.00 0.00 O ATOM 1592 CB MET A 101 -5.231 -5.170 -1.932 1.00 0.00 C ATOM 1593 CG MET A 101 -5.889 -5.176 -3.315 1.00 0.00 C ATOM 1594 SD MET A 101 -4.923 -4.161 -4.462 1.00 0.00 S ATOM 1595 CE MET A 101 -5.285 -2.555 -3.706 1.00 0.00 C ATOM 0 H MET A 101 -4.623 -5.947 0.525 1.00 0.00 H new ATOM 0 HA MET A 101 -7.141 -5.277 -0.916 1.00 0.00 H new ATOM 0 HB2 MET A 101 -5.002 -4.150 -1.625 1.00 0.00 H new ATOM 0 HB3 MET A 101 -4.287 -5.715 -1.958 1.00 0.00 H new ATOM 0 HG2 MET A 101 -5.959 -6.197 -3.690 1.00 0.00 H new ATOM 0 HG3 MET A 101 -6.907 -4.792 -3.245 1.00 0.00 H new ATOM 0 HE1 MET A 101 -5.304 -1.786 -4.478 1.00 0.00 H new ATOM 0 HE2 MET A 101 -6.255 -2.596 -3.211 1.00 0.00 H new ATOM 0 HE3 MET A 101 -4.514 -2.316 -2.974 1.00 0.00 H new ATOM 1605 N ILE A 102 -7.627 -7.539 -1.917 1.00 0.00 N ATOM 1606 CA ILE A 102 -7.917 -8.921 -2.405 1.00 0.00 C ATOM 1607 C ILE A 102 -7.500 -9.074 -3.870 1.00 0.00 C ATOM 1608 O ILE A 102 -7.898 -8.321 -4.738 1.00 0.00 O ATOM 1609 CB ILE A 102 -9.418 -9.269 -2.232 1.00 0.00 C ATOM 1610 CG1 ILE A 102 -10.260 -8.004 -2.352 1.00 0.00 C ATOM 1611 CG2 ILE A 102 -9.685 -9.917 -0.865 1.00 0.00 C ATOM 1612 CD1 ILE A 102 -11.737 -8.374 -2.189 1.00 0.00 C ATOM 0 H ILE A 102 -8.389 -6.870 -2.029 1.00 0.00 H new ATOM 0 HA ILE A 102 -7.335 -9.618 -1.803 1.00 0.00 H new ATOM 0 HB ILE A 102 -9.689 -9.977 -3.015 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -9.966 -7.282 -1.590 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -10.094 -7.531 -3.320 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -10.746 -10.149 -0.774 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -9.104 -10.835 -0.778 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -9.395 -9.227 -0.072 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -12.349 -7.476 -2.273 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -12.023 -9.082 -2.967 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -11.892 -8.828 -1.210 1.00 0.00 H new ATOM 1624 N LEU A 103 -6.731 -10.092 -4.128 1.00 0.00 N ATOM 1625 CA LEU A 103 -6.280 -10.402 -5.505 1.00 0.00 C ATOM 1626 C LEU A 103 -7.246 -11.452 -6.049 1.00 0.00 C ATOM 1627 O LEU A 103 -8.203 -11.807 -5.385 1.00 0.00 O ATOM 1628 CB LEU A 103 -4.854 -10.975 -5.463 1.00 0.00 C ATOM 1629 CG LEU A 103 -3.841 -9.832 -5.423 1.00 0.00 C ATOM 1630 CD1 LEU A 103 -4.128 -8.943 -4.215 1.00 0.00 C ATOM 1631 CD2 LEU A 103 -2.421 -10.406 -5.329 1.00 0.00 C ATOM 0 H LEU A 103 -6.388 -10.739 -3.418 1.00 0.00 H new ATOM 0 HA LEU A 103 -6.270 -9.511 -6.133 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -4.733 -11.612 -4.587 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.677 -11.600 -6.338 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.923 -9.237 -6.333 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.406 -8.127 -4.184 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.135 -8.534 -4.295 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.048 -9.533 -3.302 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.700 -9.589 -5.301 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.329 -11.003 -4.422 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.224 -11.034 -6.198 1.00 0.00 H new ATOM 1643 N ASN A 104 -7.038 -11.945 -7.232 1.00 0.00 N ATOM 1644 CA ASN A 104 -7.985 -12.964 -7.759 1.00 0.00 C ATOM 1645 C ASN A 104 -7.779 -14.250 -6.964 1.00 0.00 C ATOM 1646 O ASN A 104 -7.396 -15.273 -7.495 1.00 0.00 O ATOM 1647 CB ASN A 104 -7.703 -13.211 -9.243 1.00 0.00 C ATOM 1648 CG ASN A 104 -8.900 -13.908 -9.892 1.00 0.00 C ATOM 1649 OD1 ASN A 104 -9.900 -14.166 -9.249 1.00 0.00 O ATOM 1650 ND2 ASN A 104 -8.830 -14.234 -11.151 1.00 0.00 N ATOM 0 H ASN A 104 -6.267 -11.694 -7.851 1.00 0.00 H new ATOM 0 HA ASN A 104 -9.014 -12.620 -7.657 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -7.505 -12.265 -9.747 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -6.809 -13.825 -9.355 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -9.615 -14.707 -11.600 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -7.991 -14.017 -11.688 1.00 0.00 H new ATOM 1657 N GLY A 105 -8.027 -14.185 -5.687 1.00 0.00 N ATOM 1658 CA GLY A 105 -7.851 -15.369 -4.811 1.00 0.00 C ATOM 1659 C GLY A 105 -8.383 -15.026 -3.419 1.00 0.00 C ATOM 1660 O GLY A 105 -9.521 -15.303 -3.086 1.00 0.00 O ATOM 0 H GLY A 105 -8.350 -13.345 -5.207 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -8.386 -16.226 -5.220 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.798 -15.647 -4.756 1.00 0.00 H new ATOM 1664 N VAL A 106 -7.561 -14.411 -2.601 1.00 0.00 N ATOM 1665 CA VAL A 106 -8.005 -14.033 -1.224 1.00 0.00 C ATOM 1666 C VAL A 106 -7.248 -12.774 -0.779 1.00 0.00 C ATOM 1667 O VAL A 106 -6.463 -12.213 -1.514 1.00 0.00 O ATOM 1668 CB VAL A 106 -7.757 -15.185 -0.224 1.00 0.00 C ATOM 1669 CG1 VAL A 106 -8.939 -15.272 0.750 1.00 0.00 C ATOM 1670 CG2 VAL A 106 -7.625 -16.518 -0.969 1.00 0.00 C ATOM 0 H VAL A 106 -6.601 -14.155 -2.830 1.00 0.00 H new ATOM 0 HA VAL A 106 -9.076 -13.832 -1.242 1.00 0.00 H new ATOM 0 HB VAL A 106 -6.834 -14.987 0.320 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.768 -16.083 1.457 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -9.033 -14.331 1.293 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.856 -15.463 0.193 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.451 -17.320 -0.252 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.543 -16.719 -1.521 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -6.787 -16.465 -1.664 1.00 0.00 H new ATOM 1680 N CYS A 107 -7.493 -12.315 0.411 1.00 0.00 N ATOM 1681 CA CYS A 107 -6.809 -11.078 0.871 1.00 0.00 C ATOM 1682 C CYS A 107 -5.341 -11.303 1.199 1.00 0.00 C ATOM 1683 O CYS A 107 -4.904 -12.365 1.595 1.00 0.00 O ATOM 1684 CB CYS A 107 -7.522 -10.526 2.091 1.00 0.00 C ATOM 1685 SG CYS A 107 -7.838 -11.870 3.232 1.00 0.00 S ATOM 0 H CYS A 107 -8.133 -12.738 1.083 1.00 0.00 H new ATOM 0 HA CYS A 107 -6.850 -10.364 0.048 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -6.912 -9.760 2.570 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -8.459 -10.051 1.798 1.00 0.00 H new ATOM 0 HG CYS A 107 -9.010 -11.714 3.772 1.00 0.00 H new ATOM 1691 N VAL A 108 -4.596 -10.252 1.042 1.00 0.00 N ATOM 1692 CA VAL A 108 -3.144 -10.258 1.338 1.00 0.00 C ATOM 1693 C VAL A 108 -2.862 -8.931 2.030 1.00 0.00 C ATOM 1694 O VAL A 108 -3.536 -7.955 1.760 1.00 0.00 O ATOM 1695 CB VAL A 108 -2.369 -10.372 0.025 1.00 0.00 C ATOM 1696 CG1 VAL A 108 -2.523 -9.075 -0.790 1.00 0.00 C ATOM 1697 CG2 VAL A 108 -0.885 -10.650 0.318 1.00 0.00 C ATOM 0 H VAL A 108 -4.949 -9.355 0.708 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.843 -11.094 1.969 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.771 -11.200 -0.559 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.968 -9.164 -1.724 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.577 -8.906 -1.009 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.133 -8.235 -0.215 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.338 -10.730 -0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.472 -9.833 0.910 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.792 -11.584 0.873 1.00 0.00 H new ATOM 1707 N ILE A 109 -1.926 -8.872 2.939 1.00 0.00 N ATOM 1708 CA ILE A 109 -1.693 -7.583 3.670 1.00 0.00 C ATOM 1709 C ILE A 109 -0.493 -6.813 3.100 1.00 0.00 C ATOM 1710 O ILE A 109 0.627 -7.276 3.119 1.00 0.00 O ATOM 1711 CB ILE A 109 -1.468 -7.924 5.157 1.00 0.00 C ATOM 1712 CG1 ILE A 109 -1.753 -6.710 6.044 1.00 0.00 C ATOM 1713 CG2 ILE A 109 -0.028 -8.389 5.405 1.00 0.00 C ATOM 1714 CD1 ILE A 109 -1.799 -7.164 7.510 1.00 0.00 C ATOM 0 H ILE A 109 -1.318 -9.646 3.208 1.00 0.00 H new ATOM 0 HA ILE A 109 -2.560 -6.933 3.551 1.00 0.00 H new ATOM 0 HB ILE A 109 -2.156 -8.731 5.410 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -0.980 -5.954 5.908 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -2.701 -6.251 5.762 1.00 0.00 H new ATOM 0 HG21 ILE A 109 0.102 -8.623 6.462 1.00 0.00 H new ATOM 0 HG22 ILE A 109 0.175 -9.279 4.809 1.00 0.00 H new ATOM 0 HG23 ILE A 109 0.664 -7.597 5.121 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -2.002 -6.306 8.151 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -2.588 -7.906 7.637 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.840 -7.604 7.785 1.00 0.00 H new ATOM 1726 N TRP A 110 -0.736 -5.618 2.615 1.00 0.00 N ATOM 1727 CA TRP A 110 0.362 -4.767 2.056 1.00 0.00 C ATOM 1728 C TRP A 110 0.534 -3.534 2.955 1.00 0.00 C ATOM 1729 O TRP A 110 -0.405 -2.796 3.173 1.00 0.00 O ATOM 1730 CB TRP A 110 -0.034 -4.313 0.641 1.00 0.00 C ATOM 1731 CG TRP A 110 1.186 -3.914 -0.127 1.00 0.00 C ATOM 1732 CD1 TRP A 110 1.871 -4.705 -0.987 1.00 0.00 C ATOM 1733 CD2 TRP A 110 1.875 -2.637 -0.104 1.00 0.00 C ATOM 1734 NE1 TRP A 110 2.948 -3.986 -1.489 1.00 0.00 N ATOM 1735 CE2 TRP A 110 2.987 -2.703 -0.971 1.00 0.00 C ATOM 1736 CE3 TRP A 110 1.637 -1.436 0.585 1.00 0.00 C ATOM 1737 CZ2 TRP A 110 3.841 -1.610 -1.144 1.00 0.00 C ATOM 1738 CZ3 TRP A 110 2.491 -0.339 0.412 1.00 0.00 C ATOM 1739 CH2 TRP A 110 3.588 -0.427 -0.450 1.00 0.00 C ATOM 0 H TRP A 110 -1.662 -5.191 2.583 1.00 0.00 H new ATOM 0 HA TRP A 110 1.295 -5.329 2.015 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.553 -5.120 0.123 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.728 -3.474 0.700 1.00 0.00 H new ATOM 0 HD1 TRP A 110 1.621 -5.725 -1.240 1.00 0.00 H new ATOM 0 HE1 TRP A 110 3.625 -4.357 -2.156 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.791 -1.358 1.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.689 -1.681 -1.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 2.301 0.579 0.947 1.00 0.00 H new ATOM 0 HH2 TRP A 110 4.241 0.423 -0.579 1.00 0.00 H new ATOM 1750 N LYS A 111 1.720 -3.292 3.475 1.00 0.00 N ATOM 1751 CA LYS A 111 1.920 -2.088 4.354 1.00 0.00 C ATOM 1752 C LYS A 111 3.298 -1.463 4.109 1.00 0.00 C ATOM 1753 O LYS A 111 4.208 -1.585 4.898 1.00 0.00 O ATOM 1754 CB LYS A 111 1.761 -2.484 5.829 1.00 0.00 C ATOM 1755 CG LYS A 111 2.704 -3.640 6.217 1.00 0.00 C ATOM 1756 CD LYS A 111 2.360 -4.117 7.635 1.00 0.00 C ATOM 1757 CE LYS A 111 3.377 -5.175 8.084 1.00 0.00 C ATOM 1758 NZ LYS A 111 3.163 -5.497 9.530 1.00 0.00 N ATOM 0 H LYS A 111 2.549 -3.869 3.331 1.00 0.00 H new ATOM 0 HA LYS A 111 1.163 -1.344 4.107 1.00 0.00 H new ATOM 0 HB2 LYS A 111 1.966 -1.620 6.461 1.00 0.00 H new ATOM 0 HB3 LYS A 111 0.729 -2.779 6.017 1.00 0.00 H new ATOM 0 HG2 LYS A 111 2.601 -4.462 5.509 1.00 0.00 H new ATOM 0 HG3 LYS A 111 3.742 -3.309 6.173 1.00 0.00 H new ATOM 0 HD2 LYS A 111 2.369 -3.274 8.325 1.00 0.00 H new ATOM 0 HD3 LYS A 111 1.353 -4.534 7.655 1.00 0.00 H new ATOM 0 HE2 LYS A 111 3.269 -6.076 7.481 1.00 0.00 H new ATOM 0 HE3 LYS A 111 4.391 -4.807 7.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 3.853 -6.214 9.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 3.287 -4.636 10.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 2.200 -5.865 9.665 1.00 0.00 H new ATOM 1772 N GLY A 112 3.447 -0.774 3.022 1.00 0.00 N ATOM 1773 CA GLY A 112 4.764 -0.119 2.718 1.00 0.00 C ATOM 1774 C GLY A 112 4.936 1.153 3.544 1.00 0.00 C ATOM 1775 O GLY A 112 3.978 1.806 3.901 1.00 0.00 O ATOM 0 H GLY A 112 2.719 -0.629 2.322 1.00 0.00 H new ATOM 0 HA2 GLY A 112 5.578 -0.811 2.933 1.00 0.00 H new ATOM 0 HA3 GLY A 112 4.821 0.120 1.656 1.00 0.00 H new ATOM 1779 N TRP A 113 6.159 1.541 3.799 1.00 0.00 N ATOM 1780 CA TRP A 113 6.414 2.812 4.545 1.00 0.00 C ATOM 1781 C TRP A 113 7.602 3.507 3.904 1.00 0.00 C ATOM 1782 O TRP A 113 8.448 2.864 3.329 1.00 0.00 O ATOM 1783 CB TRP A 113 6.701 2.542 6.038 1.00 0.00 C ATOM 1784 CG TRP A 113 7.740 1.482 6.215 1.00 0.00 C ATOM 1785 CD1 TRP A 113 7.475 0.199 6.555 1.00 0.00 C ATOM 1786 CD2 TRP A 113 9.189 1.585 6.101 1.00 0.00 C ATOM 1787 NE1 TRP A 113 8.665 -0.492 6.648 1.00 0.00 N ATOM 1788 CE2 TRP A 113 9.749 0.317 6.377 1.00 0.00 C ATOM 1789 CE3 TRP A 113 10.062 2.640 5.783 1.00 0.00 C ATOM 1790 CZ2 TRP A 113 11.124 0.104 6.346 1.00 0.00 C ATOM 1791 CZ3 TRP A 113 11.452 2.426 5.754 1.00 0.00 C ATOM 1792 CH2 TRP A 113 11.979 1.158 6.034 1.00 0.00 C ATOM 0 H TRP A 113 6.997 1.030 3.521 1.00 0.00 H new ATOM 0 HA TRP A 113 5.526 3.443 4.494 1.00 0.00 H new ATOM 0 HB2 TRP A 113 7.034 3.463 6.517 1.00 0.00 H new ATOM 0 HB3 TRP A 113 5.781 2.238 6.537 1.00 0.00 H new ATOM 0 HD1 TRP A 113 6.493 -0.216 6.726 1.00 0.00 H new ATOM 0 HE1 TRP A 113 8.735 -1.481 6.888 1.00 0.00 H new ATOM 0 HE3 TRP A 113 9.664 3.619 5.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 11.526 -0.875 6.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 12.116 3.243 5.515 1.00 0.00 H new ATOM 0 HH2 TRP A 113 13.047 0.998 6.008 1.00 0.00 H new ATOM 1803 N ILE A 114 7.676 4.807 4.007 1.00 0.00 N ATOM 1804 CA ILE A 114 8.818 5.555 3.407 1.00 0.00 C ATOM 1805 C ILE A 114 9.064 6.763 4.293 1.00 0.00 C ATOM 1806 O ILE A 114 8.149 7.303 4.882 1.00 0.00 O ATOM 1807 CB ILE A 114 8.474 6.059 1.980 1.00 0.00 C ATOM 1808 CG1 ILE A 114 7.075 6.729 1.963 1.00 0.00 C ATOM 1809 CG2 ILE A 114 8.534 4.905 0.969 1.00 0.00 C ATOM 1810 CD1 ILE A 114 5.963 5.717 1.646 1.00 0.00 C ATOM 0 H ILE A 114 6.987 5.388 4.486 1.00 0.00 H new ATOM 0 HA ILE A 114 9.688 4.903 3.337 1.00 0.00 H new ATOM 0 HB ILE A 114 9.215 6.804 1.691 1.00 0.00 H new ATOM 0 HG12 ILE A 114 6.881 7.191 2.931 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.063 7.527 1.221 1.00 0.00 H new ATOM 0 HG21 ILE A 114 8.290 5.279 -0.025 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.538 4.481 0.960 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.817 4.135 1.253 1.00 0.00 H new ATOM 0 HD11 ILE A 114 4.999 6.225 1.643 1.00 0.00 H new ATOM 0 HD12 ILE A 114 6.143 5.274 0.666 1.00 0.00 H new ATOM 0 HD13 ILE A 114 5.958 4.933 2.403 1.00 0.00 H new ATOM 1822 N ASP A 115 10.270 7.211 4.399 1.00 0.00 N ATOM 1823 CA ASP A 115 10.515 8.392 5.251 1.00 0.00 C ATOM 1824 C ASP A 115 10.061 9.623 4.482 1.00 0.00 C ATOM 1825 O ASP A 115 9.878 9.582 3.284 1.00 0.00 O ATOM 1826 CB ASP A 115 11.998 8.486 5.592 1.00 0.00 C ATOM 1827 CG ASP A 115 12.178 9.364 6.836 1.00 0.00 C ATOM 1828 OD1 ASP A 115 11.252 10.087 7.162 1.00 0.00 O ATOM 1829 OD2 ASP A 115 13.238 9.305 7.438 1.00 0.00 O ATOM 0 H ASP A 115 11.091 6.817 3.939 1.00 0.00 H new ATOM 0 HA ASP A 115 9.961 8.314 6.187 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.405 7.491 5.773 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.550 8.908 4.752 1.00 0.00 H new ATOM 1834 N LEU A 116 9.865 10.712 5.157 1.00 0.00 N ATOM 1835 CA LEU A 116 9.406 11.935 4.461 1.00 0.00 C ATOM 1836 C LEU A 116 10.512 12.383 3.487 1.00 0.00 C ATOM 1837 O LEU A 116 10.245 13.025 2.491 1.00 0.00 O ATOM 1838 CB LEU A 116 9.087 13.013 5.512 1.00 0.00 C ATOM 1839 CG LEU A 116 8.135 14.077 4.928 1.00 0.00 C ATOM 1840 CD1 LEU A 116 7.531 14.890 6.084 1.00 0.00 C ATOM 1841 CD2 LEU A 116 8.884 15.011 3.938 1.00 0.00 C ATOM 0 H LEU A 116 10.003 10.808 6.163 1.00 0.00 H new ATOM 0 HA LEU A 116 8.499 11.753 3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 116 8.631 12.551 6.388 1.00 0.00 H new ATOM 0 HB3 LEU A 116 10.010 13.487 5.846 1.00 0.00 H new ATOM 0 HG LEU A 116 7.339 13.581 4.372 1.00 0.00 H new ATOM 0 HD11 LEU A 116 6.856 15.646 5.683 1.00 0.00 H new ATOM 0 HD12 LEU A 116 6.978 14.224 6.747 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.330 15.377 6.643 1.00 0.00 H new ATOM 0 HD21 LEU A 116 8.190 15.752 3.541 1.00 0.00 H new ATOM 0 HD22 LEU A 116 9.696 15.518 4.459 1.00 0.00 H new ATOM 0 HD23 LEU A 116 9.292 14.420 3.118 1.00 0.00 H new ATOM 1853 N HIS A 117 11.753 12.032 3.757 1.00 0.00 N ATOM 1854 CA HIS A 117 12.877 12.424 2.842 1.00 0.00 C ATOM 1855 C HIS A 117 13.276 11.260 1.912 1.00 0.00 C ATOM 1856 O HIS A 117 13.490 11.471 0.733 1.00 0.00 O ATOM 1857 CB HIS A 117 14.085 12.880 3.693 1.00 0.00 C ATOM 1858 CG HIS A 117 15.010 11.722 4.008 1.00 0.00 C ATOM 1859 ND1 HIS A 117 16.253 11.582 3.411 1.00 0.00 N ATOM 1860 CD2 HIS A 117 14.880 10.653 4.850 1.00 0.00 C ATOM 1861 CE1 HIS A 117 16.812 10.458 3.899 1.00 0.00 C ATOM 1862 NE2 HIS A 117 16.015 9.854 4.781 1.00 0.00 N ATOM 0 H HIS A 117 12.034 11.490 4.574 1.00 0.00 H new ATOM 0 HA HIS A 117 12.545 13.246 2.207 1.00 0.00 H new ATOM 0 HB2 HIS A 117 14.637 13.653 3.159 1.00 0.00 H new ATOM 0 HB3 HIS A 117 13.730 13.326 4.622 1.00 0.00 H new ATOM 0 HD1 HIS A 117 16.668 12.215 2.727 1.00 0.00 H new ATOM 0 HD2 HIS A 117 14.022 10.458 5.476 1.00 0.00 H new ATOM 0 HE1 HIS A 117 17.786 10.091 3.611 1.00 0.00 H new ATOM 1870 N ARG A 118 13.398 10.043 2.404 1.00 0.00 N ATOM 1871 CA ARG A 118 13.809 8.925 1.482 1.00 0.00 C ATOM 1872 C ARG A 118 12.562 8.250 0.877 1.00 0.00 C ATOM 1873 O ARG A 118 11.772 7.621 1.552 1.00 0.00 O ATOM 1874 CB ARG A 118 14.705 7.907 2.235 1.00 0.00 C ATOM 1875 CG ARG A 118 13.872 6.785 2.865 1.00 0.00 C ATOM 1876 CD ARG A 118 14.735 5.995 3.841 1.00 0.00 C ATOM 1877 NE ARG A 118 15.201 6.897 4.932 1.00 0.00 N ATOM 1878 CZ ARG A 118 15.714 6.393 6.012 1.00 0.00 C ATOM 1879 NH1 ARG A 118 15.812 5.098 6.138 1.00 0.00 N ATOM 1880 NH2 ARG A 118 16.128 7.186 6.961 1.00 0.00 N ATOM 0 H ARG A 118 13.236 9.779 3.376 1.00 0.00 H new ATOM 0 HA ARG A 118 14.396 9.335 0.660 1.00 0.00 H new ATOM 0 HB2 ARG A 118 15.431 7.479 1.544 1.00 0.00 H new ATOM 0 HB3 ARG A 118 15.270 8.422 3.012 1.00 0.00 H new ATOM 0 HG2 ARG A 118 13.010 7.205 3.384 1.00 0.00 H new ATOM 0 HG3 ARG A 118 13.486 6.125 2.088 1.00 0.00 H new ATOM 0 HD2 ARG A 118 14.165 5.165 4.259 1.00 0.00 H new ATOM 0 HD3 ARG A 118 15.590 5.564 3.321 1.00 0.00 H new ATOM 0 HE ARG A 118 15.117 7.908 4.830 1.00 0.00 H new ATOM 0 HH11 ARG A 118 15.486 4.487 5.389 1.00 0.00 H new ATOM 0 HH12 ARG A 118 16.215 4.697 6.985 1.00 0.00 H new ATOM 0 HH21 ARG A 118 16.048 8.197 6.852 1.00 0.00 H new ATOM 0 HH22 ARG A 118 16.532 6.795 7.812 1.00 0.00 H new ATOM 1894 N LEU A 119 12.396 8.396 -0.403 1.00 0.00 N ATOM 1895 CA LEU A 119 11.231 7.790 -1.112 1.00 0.00 C ATOM 1896 C LEU A 119 11.512 6.297 -1.349 1.00 0.00 C ATOM 1897 O LEU A 119 10.724 5.591 -1.941 1.00 0.00 O ATOM 1898 CB LEU A 119 11.084 8.512 -2.461 1.00 0.00 C ATOM 1899 CG LEU A 119 9.667 8.348 -3.039 1.00 0.00 C ATOM 1900 CD1 LEU A 119 8.648 9.152 -2.207 1.00 0.00 C ATOM 1901 CD2 LEU A 119 9.687 8.846 -4.494 1.00 0.00 C ATOM 0 H LEU A 119 13.031 8.921 -1.005 1.00 0.00 H new ATOM 0 HA LEU A 119 10.317 7.890 -0.526 1.00 0.00 H new ATOM 0 HB2 LEU A 119 11.305 9.572 -2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 119 11.814 8.117 -3.167 1.00 0.00 H new ATOM 0 HG LEU A 119 9.367 7.301 -3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 119 7.652 9.024 -2.630 1.00 0.00 H new ATOM 0 HD12 LEU A 119 8.654 8.793 -1.178 1.00 0.00 H new ATOM 0 HD13 LEU A 119 8.917 10.208 -2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 119 8.693 8.741 -4.928 1.00 0.00 H new ATOM 0 HD22 LEU A 119 9.983 9.895 -4.516 1.00 0.00 H new ATOM 0 HD23 LEU A 119 10.399 8.256 -5.071 1.00 0.00 H new ATOM 1913 N ASP A 120 12.661 5.834 -0.921 1.00 0.00 N ATOM 1914 CA ASP A 120 13.057 4.397 -1.147 1.00 0.00 C ATOM 1915 C ASP A 120 12.855 3.584 0.123 1.00 0.00 C ATOM 1916 O ASP A 120 13.771 2.985 0.651 1.00 0.00 O ATOM 1917 CB ASP A 120 14.533 4.339 -1.549 1.00 0.00 C ATOM 1918 CG ASP A 120 15.344 5.277 -0.654 1.00 0.00 C ATOM 1919 OD1 ASP A 120 15.567 4.923 0.494 1.00 0.00 O ATOM 1920 OD2 ASP A 120 15.733 6.327 -1.132 1.00 0.00 O ATOM 0 H ASP A 120 13.352 6.391 -0.419 1.00 0.00 H new ATOM 0 HA ASP A 120 12.434 3.980 -1.938 1.00 0.00 H new ATOM 0 HB2 ASP A 120 14.906 3.319 -1.457 1.00 0.00 H new ATOM 0 HB3 ASP A 120 14.648 4.627 -2.594 1.00 0.00 H new ATOM 1925 N GLY A 121 11.665 3.562 0.603 1.00 0.00 N ATOM 1926 CA GLY A 121 11.365 2.799 1.834 1.00 0.00 C ATOM 1927 C GLY A 121 11.488 1.299 1.581 1.00 0.00 C ATOM 1928 O GLY A 121 12.103 0.851 0.631 1.00 0.00 O ATOM 0 H GLY A 121 10.867 4.047 0.192 1.00 0.00 H new ATOM 0 HA2 GLY A 121 12.050 3.096 2.628 1.00 0.00 H new ATOM 0 HA3 GLY A 121 10.357 3.034 2.177 1.00 0.00 H new ATOM 1932 N MET A 122 10.858 0.542 2.426 1.00 0.00 N ATOM 1933 CA MET A 122 10.834 -0.940 2.302 1.00 0.00 C ATOM 1934 C MET A 122 9.412 -1.375 2.650 1.00 0.00 C ATOM 1935 O MET A 122 8.730 -0.701 3.390 1.00 0.00 O ATOM 1936 CB MET A 122 11.832 -1.576 3.273 1.00 0.00 C ATOM 1937 CG MET A 122 11.946 -3.064 2.952 1.00 0.00 C ATOM 1938 SD MET A 122 12.905 -3.911 4.230 1.00 0.00 S ATOM 1939 CE MET A 122 14.515 -3.178 3.854 1.00 0.00 C ATOM 0 H MET A 122 10.339 0.901 3.227 1.00 0.00 H new ATOM 0 HA MET A 122 11.114 -1.255 1.297 1.00 0.00 H new ATOM 0 HB2 MET A 122 12.806 -1.094 3.183 1.00 0.00 H new ATOM 0 HB3 MET A 122 11.500 -1.436 4.302 1.00 0.00 H new ATOM 0 HG2 MET A 122 10.952 -3.505 2.882 1.00 0.00 H new ATOM 0 HG3 MET A 122 12.423 -3.198 1.981 1.00 0.00 H new ATOM 0 HE1 MET A 122 15.305 -3.793 4.285 1.00 0.00 H new ATOM 0 HE2 MET A 122 14.647 -3.124 2.773 1.00 0.00 H new ATOM 0 HE3 MET A 122 14.565 -2.174 4.276 1.00 0.00 H new ATOM 1949 N GLY A 123 8.935 -2.467 2.128 1.00 0.00 N ATOM 1950 CA GLY A 123 7.535 -2.863 2.457 1.00 0.00 C ATOM 1951 C GLY A 123 7.395 -4.370 2.324 1.00 0.00 C ATOM 1952 O GLY A 123 7.508 -4.929 1.248 1.00 0.00 O ATOM 0 H GLY A 123 9.439 -3.093 1.500 1.00 0.00 H new ATOM 0 HA2 GLY A 123 7.285 -2.551 3.471 1.00 0.00 H new ATOM 0 HA3 GLY A 123 6.836 -2.361 1.788 1.00 0.00 H new ATOM 1956 N CYS A 124 7.171 -5.039 3.419 1.00 0.00 N ATOM 1957 CA CYS A 124 7.031 -6.519 3.371 1.00 0.00 C ATOM 1958 C CYS A 124 5.598 -6.896 3.010 1.00 0.00 C ATOM 1959 O CYS A 124 4.648 -6.301 3.486 1.00 0.00 O ATOM 1960 CB CYS A 124 7.409 -7.120 4.734 1.00 0.00 C ATOM 1961 SG CYS A 124 6.044 -6.917 5.903 1.00 0.00 S ATOM 0 H CYS A 124 7.079 -4.624 4.346 1.00 0.00 H new ATOM 0 HA CYS A 124 7.701 -6.917 2.609 1.00 0.00 H new ATOM 0 HB2 CYS A 124 7.647 -8.178 4.620 1.00 0.00 H new ATOM 0 HB3 CYS A 124 8.304 -6.632 5.120 1.00 0.00 H new ATOM 0 HG CYS A 124 4.967 -6.578 5.258 1.00 0.00 H new ATOM 1967 N LEU A 125 5.434 -7.897 2.185 1.00 0.00 N ATOM 1968 CA LEU A 125 4.062 -8.361 1.790 1.00 0.00 C ATOM 1969 C LEU A 125 3.936 -9.825 2.208 1.00 0.00 C ATOM 1970 O LEU A 125 4.871 -10.589 2.083 1.00 0.00 O ATOM 1971 CB LEU A 125 3.901 -8.198 0.273 1.00 0.00 C ATOM 1972 CG LEU A 125 2.596 -8.848 -0.219 1.00 0.00 C ATOM 1973 CD1 LEU A 125 1.403 -8.184 0.480 1.00 0.00 C ATOM 1974 CD2 LEU A 125 2.480 -8.652 -1.739 1.00 0.00 C ATOM 0 H LEU A 125 6.199 -8.422 1.761 1.00 0.00 H new ATOM 0 HA LEU A 125 3.281 -7.777 2.276 1.00 0.00 H new ATOM 0 HB2 LEU A 125 3.903 -7.139 0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.751 -8.651 -0.237 1.00 0.00 H new ATOM 0 HG LEU A 125 2.602 -9.913 0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 125 0.477 -8.643 0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 125 1.493 -8.317 1.558 1.00 0.00 H new ATOM 0 HD13 LEU A 125 1.391 -7.119 0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 125 1.557 -9.110 -2.096 1.00 0.00 H new ATOM 0 HD22 LEU A 125 2.468 -7.587 -1.969 1.00 0.00 H new ATOM 0 HD23 LEU A 125 3.332 -9.120 -2.232 1.00 0.00 H new ATOM 1986 N GLU A 126 2.802 -10.220 2.734 1.00 0.00 N ATOM 1987 CA GLU A 126 2.641 -11.646 3.182 1.00 0.00 C ATOM 1988 C GLU A 126 1.178 -12.110 3.097 1.00 0.00 C ATOM 1989 O GLU A 126 0.273 -11.452 3.574 1.00 0.00 O ATOM 1990 CB GLU A 126 3.080 -11.791 4.647 1.00 0.00 C ATOM 1991 CG GLU A 126 4.557 -11.437 4.843 1.00 0.00 C ATOM 1992 CD GLU A 126 4.935 -11.735 6.302 1.00 0.00 C ATOM 1993 OE1 GLU A 126 4.074 -11.580 7.154 1.00 0.00 O ATOM 1994 OE2 GLU A 126 6.067 -12.128 6.542 1.00 0.00 O ATOM 0 H GLU A 126 1.985 -9.625 2.873 1.00 0.00 H new ATOM 0 HA GLU A 126 3.257 -12.255 2.520 1.00 0.00 H new ATOM 0 HB2 GLU A 126 2.466 -11.145 5.275 1.00 0.00 H new ATOM 0 HB3 GLU A 126 2.906 -12.815 4.978 1.00 0.00 H new ATOM 0 HG2 GLU A 126 5.180 -12.018 4.163 1.00 0.00 H new ATOM 0 HG3 GLU A 126 4.729 -10.385 4.613 1.00 0.00 H new ATOM 2001 N PHE A 127 0.956 -13.274 2.547 1.00 0.00 N ATOM 2002 CA PHE A 127 -0.422 -13.840 2.490 1.00 0.00 C ATOM 2003 C PHE A 127 -0.732 -14.462 3.868 1.00 0.00 C ATOM 2004 O PHE A 127 -0.400 -15.602 4.133 1.00 0.00 O ATOM 2005 CB PHE A 127 -0.477 -14.906 1.361 1.00 0.00 C ATOM 2006 CG PHE A 127 -1.426 -14.479 0.246 1.00 0.00 C ATOM 2007 CD1 PHE A 127 -2.790 -14.770 0.368 1.00 0.00 C ATOM 2008 CD2 PHE A 127 -0.956 -13.801 -0.897 1.00 0.00 C ATOM 2009 CE1 PHE A 127 -3.681 -14.390 -0.639 1.00 0.00 C ATOM 2010 CE2 PHE A 127 -1.858 -13.418 -1.902 1.00 0.00 C ATOM 2011 CZ PHE A 127 -3.216 -13.717 -1.774 1.00 0.00 C ATOM 0 H PHE A 127 1.678 -13.862 2.131 1.00 0.00 H new ATOM 0 HA PHE A 127 -1.165 -13.074 2.269 1.00 0.00 H new ATOM 0 HB2 PHE A 127 0.522 -15.060 0.953 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -0.803 -15.861 1.774 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -3.154 -15.289 1.242 1.00 0.00 H new ATOM 0 HD2 PHE A 127 0.096 -13.577 -0.999 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -4.732 -14.617 -0.541 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -1.501 -12.892 -2.775 1.00 0.00 H new ATOM 0 HZ PHE A 127 -3.908 -13.429 -2.552 1.00 0.00 H new ATOM 2021 N ASP A 128 -1.354 -13.726 4.754 1.00 0.00 N ATOM 2022 CA ASP A 128 -1.667 -14.294 6.105 1.00 0.00 C ATOM 2023 C ASP A 128 -2.875 -13.589 6.713 1.00 0.00 C ATOM 2024 O ASP A 128 -3.070 -13.606 7.909 1.00 0.00 O ATOM 2025 CB ASP A 128 -0.459 -14.113 7.033 1.00 0.00 C ATOM 2026 CG ASP A 128 -0.658 -14.935 8.314 1.00 0.00 C ATOM 2027 OD1 ASP A 128 -1.702 -15.550 8.449 1.00 0.00 O ATOM 2028 OD2 ASP A 128 0.242 -14.933 9.141 1.00 0.00 O ATOM 0 H ASP A 128 -1.657 -12.764 4.604 1.00 0.00 H new ATOM 0 HA ASP A 128 -1.893 -15.354 5.992 1.00 0.00 H new ATOM 0 HB2 ASP A 128 0.452 -14.430 6.525 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -0.335 -13.059 7.282 1.00 0.00 H new ATOM 2033 N GLU A 129 -3.673 -12.959 5.912 1.00 0.00 N ATOM 2034 CA GLU A 129 -4.851 -12.240 6.467 1.00 0.00 C ATOM 2035 C GLU A 129 -5.842 -13.228 7.103 1.00 0.00 C ATOM 2036 O GLU A 129 -6.389 -14.118 6.457 1.00 0.00 O ATOM 2037 CB GLU A 129 -5.521 -11.447 5.338 1.00 0.00 C ATOM 2038 CG GLU A 129 -4.747 -10.156 5.062 1.00 0.00 C ATOM 2039 CD GLU A 129 -4.937 -9.198 6.239 1.00 0.00 C ATOM 2040 OE1 GLU A 129 -5.677 -9.544 7.146 1.00 0.00 O ATOM 2041 OE2 GLU A 129 -4.340 -8.136 6.215 1.00 0.00 O ATOM 0 H GLU A 129 -3.566 -12.908 4.899 1.00 0.00 H new ATOM 0 HA GLU A 129 -4.525 -11.555 7.249 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -5.563 -12.054 4.434 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -6.549 -11.211 5.611 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -3.688 -10.375 4.922 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -5.102 -9.695 4.140 1.00 0.00 H new ATOM 2048 N GLU A 130 -6.101 -13.073 8.373 1.00 0.00 N ATOM 2049 CA GLU A 130 -7.065 -13.997 9.012 1.00 0.00 C ATOM 2050 C GLU A 130 -8.408 -13.841 8.327 1.00 0.00 C ATOM 2051 O GLU A 130 -9.161 -14.780 8.194 1.00 0.00 O ATOM 2052 CB GLU A 130 -7.202 -13.693 10.503 1.00 0.00 C ATOM 2053 CG GLU A 130 -7.823 -12.312 10.719 1.00 0.00 C ATOM 2054 CD GLU A 130 -7.842 -12.000 12.219 1.00 0.00 C ATOM 2055 OE1 GLU A 130 -8.813 -12.355 12.866 1.00 0.00 O ATOM 2056 OE2 GLU A 130 -6.883 -11.419 12.694 1.00 0.00 O ATOM 0 H GLU A 130 -5.694 -12.361 8.980 1.00 0.00 H new ATOM 0 HA GLU A 130 -6.706 -15.021 8.910 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -7.821 -14.454 10.979 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -6.222 -13.735 10.979 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -7.250 -11.554 10.185 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -8.836 -12.288 10.317 1.00 0.00 H new ATOM 2063 N ARG A 131 -8.715 -12.667 7.859 1.00 0.00 N ATOM 2064 CA ARG A 131 -10.009 -12.501 7.164 1.00 0.00 C ATOM 2065 C ARG A 131 -9.944 -13.298 5.868 1.00 0.00 C ATOM 2066 O ARG A 131 -10.941 -13.534 5.225 1.00 0.00 O ATOM 2067 CB ARG A 131 -10.322 -11.021 6.886 1.00 0.00 C ATOM 2068 CG ARG A 131 -9.100 -10.312 6.308 1.00 0.00 C ATOM 2069 CD ARG A 131 -9.407 -8.821 6.145 1.00 0.00 C ATOM 2070 NE ARG A 131 -9.574 -8.210 7.499 1.00 0.00 N ATOM 2071 CZ ARG A 131 -9.609 -6.917 7.630 1.00 0.00 C ATOM 2072 NH1 ARG A 131 -9.518 -6.172 6.568 1.00 0.00 N ATOM 2073 NH2 ARG A 131 -9.716 -6.376 8.820 1.00 0.00 N ATOM 0 H ARG A 131 -8.135 -11.831 7.927 1.00 0.00 H new ATOM 0 HA ARG A 131 -10.816 -12.870 7.798 1.00 0.00 H new ATOM 0 HB2 ARG A 131 -11.157 -10.945 6.189 1.00 0.00 H new ATOM 0 HB3 ARG A 131 -10.631 -10.530 7.809 1.00 0.00 H new ATOM 0 HG2 ARG A 131 -8.242 -10.448 6.966 1.00 0.00 H new ATOM 0 HG3 ARG A 131 -8.835 -10.747 5.345 1.00 0.00 H new ATOM 0 HD2 ARG A 131 -8.599 -8.327 5.605 1.00 0.00 H new ATOM 0 HD3 ARG A 131 -10.314 -8.685 5.556 1.00 0.00 H new ATOM 0 HE ARG A 131 -9.661 -8.808 8.321 1.00 0.00 H new ATOM 0 HH11 ARG A 131 -9.421 -6.604 5.649 1.00 0.00 H new ATOM 0 HH12 ARG A 131 -9.544 -5.156 6.654 1.00 0.00 H new ATOM 0 HH21 ARG A 131 -9.772 -6.970 9.647 1.00 0.00 H new ATOM 0 HH22 ARG A 131 -9.743 -5.361 8.918 1.00 0.00 H new ATOM 2087 N ALA A 132 -8.767 -13.757 5.499 1.00 0.00 N ATOM 2088 CA ALA A 132 -8.655 -14.575 4.268 1.00 0.00 C ATOM 2089 C ALA A 132 -9.403 -15.864 4.501 1.00 0.00 C ATOM 2090 O ALA A 132 -10.225 -16.274 3.710 1.00 0.00 O ATOM 2091 CB ALA A 132 -7.176 -14.894 3.984 1.00 0.00 C ATOM 0 H ALA A 132 -7.893 -13.597 5.999 1.00 0.00 H new ATOM 0 HA ALA A 132 -9.069 -14.033 3.417 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -7.101 -15.495 3.078 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -6.623 -13.965 3.849 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -6.756 -15.448 4.823 1.00 0.00 H new ATOM 2097 N GLN A 133 -9.149 -16.502 5.596 1.00 0.00 N ATOM 2098 CA GLN A 133 -9.877 -17.783 5.837 1.00 0.00 C ATOM 2099 C GLN A 133 -11.395 -17.517 5.884 1.00 0.00 C ATOM 2100 O GLN A 133 -12.185 -18.268 5.331 1.00 0.00 O ATOM 2101 CB GLN A 133 -9.387 -18.436 7.154 1.00 0.00 C ATOM 2102 CG GLN A 133 -10.132 -17.884 8.373 1.00 0.00 C ATOM 2103 CD GLN A 133 -9.471 -18.415 9.641 1.00 0.00 C ATOM 2104 OE1 GLN A 133 -8.686 -19.340 9.587 1.00 0.00 O ATOM 2105 NE2 GLN A 133 -9.751 -17.861 10.788 1.00 0.00 N ATOM 0 H GLN A 133 -8.492 -16.212 6.320 1.00 0.00 H new ATOM 0 HA GLN A 133 -9.672 -18.475 5.020 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -9.529 -19.515 7.099 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -8.318 -18.260 7.271 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -10.111 -16.794 8.365 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -11.180 -18.183 8.341 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -10.411 -17.084 10.832 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -9.310 -18.205 11.641 1.00 0.00 H new ATOM 2114 N GLN A 134 -11.818 -16.462 6.530 1.00 0.00 N ATOM 2115 CA GLN A 134 -13.291 -16.198 6.602 1.00 0.00 C ATOM 2116 C GLN A 134 -13.821 -15.614 5.273 1.00 0.00 C ATOM 2117 O GLN A 134 -14.858 -16.024 4.790 1.00 0.00 O ATOM 2118 CB GLN A 134 -13.586 -15.259 7.789 1.00 0.00 C ATOM 2119 CG GLN A 134 -13.536 -13.785 7.372 1.00 0.00 C ATOM 2120 CD GLN A 134 -13.427 -12.906 8.614 1.00 0.00 C ATOM 2121 OE1 GLN A 134 -12.678 -13.206 9.524 1.00 0.00 O ATOM 2122 NE2 GLN A 134 -14.140 -11.822 8.691 1.00 0.00 N ATOM 0 H GLN A 134 -11.223 -15.782 7.003 1.00 0.00 H new ATOM 0 HA GLN A 134 -13.813 -17.141 6.763 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -14.570 -15.488 8.198 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -12.861 -15.437 8.583 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -12.684 -13.611 6.715 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -14.432 -13.525 6.808 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -14.768 -11.570 7.928 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -14.071 -11.224 9.514 1.00 0.00 H new ATOM 2131 N GLU A 135 -13.137 -14.657 4.685 1.00 0.00 N ATOM 2132 CA GLU A 135 -13.644 -14.076 3.402 1.00 0.00 C ATOM 2133 C GLU A 135 -13.553 -15.154 2.313 1.00 0.00 C ATOM 2134 O GLU A 135 -14.338 -15.186 1.388 1.00 0.00 O ATOM 2135 CB GLU A 135 -12.842 -12.803 3.003 1.00 0.00 C ATOM 2136 CG GLU A 135 -11.658 -13.156 2.092 1.00 0.00 C ATOM 2137 CD GLU A 135 -10.722 -11.951 1.971 1.00 0.00 C ATOM 2138 OE1 GLU A 135 -11.013 -10.937 2.581 1.00 0.00 O ATOM 2139 OE2 GLU A 135 -9.739 -12.060 1.261 1.00 0.00 O ATOM 0 H GLU A 135 -12.264 -14.260 5.033 1.00 0.00 H new ATOM 0 HA GLU A 135 -14.682 -13.766 3.525 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -13.500 -12.100 2.492 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -12.477 -12.303 3.901 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -11.116 -14.010 2.498 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -12.020 -13.448 1.106 1.00 0.00 H new ATOM 2146 N ASP A 136 -12.612 -16.060 2.427 1.00 0.00 N ATOM 2147 CA ASP A 136 -12.503 -17.125 1.391 1.00 0.00 C ATOM 2148 C ASP A 136 -13.810 -17.925 1.361 1.00 0.00 C ATOM 2149 O ASP A 136 -14.307 -18.252 0.302 1.00 0.00 O ATOM 2150 CB ASP A 136 -11.314 -18.040 1.703 1.00 0.00 C ATOM 2151 CG ASP A 136 -11.182 -19.083 0.604 1.00 0.00 C ATOM 2152 OD1 ASP A 136 -12.042 -19.106 -0.257 1.00 0.00 O ATOM 2153 OD2 ASP A 136 -10.225 -19.834 0.644 1.00 0.00 O ATOM 0 H ASP A 136 -11.927 -16.106 3.181 1.00 0.00 H new ATOM 0 HA ASP A 136 -12.336 -16.675 0.412 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -10.398 -17.454 1.776 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -11.458 -18.527 2.667 1.00 0.00 H new ATOM 2158 N ALA A 137 -14.406 -18.201 2.495 1.00 0.00 N ATOM 2159 CA ALA A 137 -15.712 -18.929 2.475 1.00 0.00 C ATOM 2160 C ALA A 137 -16.770 -18.002 1.850 1.00 0.00 C ATOM 2161 O ALA A 137 -17.598 -18.417 1.060 1.00 0.00 O ATOM 2162 CB ALA A 137 -16.124 -19.282 3.904 1.00 0.00 C ATOM 0 H ALA A 137 -14.051 -17.958 3.420 1.00 0.00 H new ATOM 0 HA ALA A 137 -15.623 -19.847 1.895 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -17.076 -19.813 3.888 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -15.362 -19.917 4.356 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -16.228 -18.368 4.489 1.00 0.00 H new ATOM 2168 N LEU A 138 -16.729 -16.740 2.205 1.00 0.00 N ATOM 2169 CA LEU A 138 -17.699 -15.749 1.657 1.00 0.00 C ATOM 2170 C LEU A 138 -17.275 -15.310 0.254 1.00 0.00 C ATOM 2171 O LEU A 138 -17.972 -14.565 -0.403 1.00 0.00 O ATOM 2172 CB LEU A 138 -17.748 -14.511 2.567 1.00 0.00 C ATOM 2173 CG LEU A 138 -18.184 -14.897 3.987 1.00 0.00 C ATOM 2174 CD1 LEU A 138 -18.227 -13.635 4.852 1.00 0.00 C ATOM 2175 CD2 LEU A 138 -19.578 -15.555 3.961 1.00 0.00 C ATOM 0 H LEU A 138 -16.052 -16.352 2.862 1.00 0.00 H new ATOM 0 HA LEU A 138 -18.682 -16.218 1.610 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -16.766 -14.038 2.599 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -18.442 -13.778 2.155 1.00 0.00 H new ATOM 0 HG LEU A 138 -17.472 -15.610 4.401 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -18.536 -13.898 5.864 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -17.237 -13.180 4.881 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -18.939 -12.927 4.428 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -19.873 -15.823 4.976 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -20.303 -14.855 3.545 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -19.545 -16.453 3.344 1.00 0.00 H new ATOM 2187 N ALA A 139 -16.126 -15.728 -0.203 1.00 0.00 N ATOM 2188 CA ALA A 139 -15.672 -15.292 -1.554 1.00 0.00 C ATOM 2189 C ALA A 139 -16.672 -15.734 -2.625 1.00 0.00 C ATOM 2190 O ALA A 139 -16.816 -15.090 -3.641 1.00 0.00 O ATOM 2191 CB ALA A 139 -14.316 -15.918 -1.863 1.00 0.00 C ATOM 0 H ALA A 139 -15.487 -16.347 0.296 1.00 0.00 H new ATOM 0 HA ALA A 139 -15.596 -14.205 -1.558 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -13.985 -15.599 -2.851 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -13.589 -15.599 -1.116 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -14.404 -17.004 -1.843 1.00 0.00 H new ATOM 2197 N GLN A 140 -17.354 -16.829 -2.417 1.00 0.00 N ATOM 2198 CA GLN A 140 -18.325 -17.301 -3.452 1.00 0.00 C ATOM 2199 C GLN A 140 -19.595 -16.438 -3.411 1.00 0.00 C ATOM 2200 O GLN A 140 -19.907 -15.819 -2.415 1.00 0.00 O ATOM 2201 CB GLN A 140 -18.695 -18.765 -3.176 1.00 0.00 C ATOM 2202 CG GLN A 140 -17.421 -19.602 -3.145 1.00 0.00 C ATOM 2203 CD GLN A 140 -17.785 -21.070 -2.889 1.00 0.00 C ATOM 2204 OE1 GLN A 140 -17.908 -21.850 -3.814 1.00 0.00 O ATOM 2205 NE2 GLN A 140 -17.967 -21.482 -1.664 1.00 0.00 N ATOM 0 H GLN A 140 -17.283 -17.413 -1.584 1.00 0.00 H new ATOM 0 HA GLN A 140 -17.866 -17.217 -4.437 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -19.223 -18.847 -2.226 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -19.370 -19.135 -3.948 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -16.887 -19.507 -4.090 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -16.753 -19.239 -2.364 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -17.865 -20.830 -0.886 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -18.212 -22.456 -1.484 1.00 0.00 H new ATOM 2214 N GLN A 141 -20.333 -16.399 -4.487 1.00 0.00 N ATOM 2215 CA GLN A 141 -21.579 -15.593 -4.506 1.00 0.00 C ATOM 2216 C GLN A 141 -22.744 -16.473 -4.039 1.00 0.00 C ATOM 2217 O GLN A 141 -23.874 -16.023 -4.096 1.00 0.00 O ATOM 2218 CB GLN A 141 -21.826 -15.095 -5.933 1.00 0.00 C ATOM 2219 CG GLN A 141 -20.647 -14.214 -6.346 1.00 0.00 C ATOM 2220 CD GLN A 141 -20.846 -13.674 -7.766 1.00 0.00 C ATOM 2221 OE1 GLN A 141 -21.566 -14.256 -8.554 1.00 0.00 O ATOM 2222 NE2 GLN A 141 -20.234 -12.572 -8.124 1.00 0.00 N ATOM 2223 OXT GLN A 141 -22.470 -17.586 -3.610 1.00 0.00 O ATOM 0 H GLN A 141 -20.123 -16.893 -5.354 1.00 0.00 H new ATOM 0 HA GLN A 141 -21.490 -14.735 -3.840 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -21.928 -15.938 -6.617 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -22.757 -14.530 -5.982 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -20.544 -13.384 -5.647 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -19.722 -14.789 -6.296 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -19.630 -12.085 -7.461 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -20.361 -12.201 -9.065 1.00 0.00 H new TER 2232 GLN A 141