USER MOD reduce.3.24.130724 H: found=0, std=0, add=1091, rem=0, adj=22 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 45 GLN : amide:sc= -5.43! C(o=-5.4!,f=-3.2!) USER MOD Set 1.2: A 85 TYR OH : rot 180:sc=-0.00196 USER MOD Set 2.1: A 29 TYR OH : rot -15:sc= -1.73 USER MOD Set 2.2: A 53 SER OG : rot 101:sc= -0.806! USER MOD Set 3.1: A 8 GLN : amide:sc= -0.913 K(o=-1.1,f=-3!) USER MOD Set 3.2: A 140 GLN : amide:sc= -0.229 X(o=-1.1,f=-1.1) USER MOD Single : A 10 SER OG : rot 76:sc= 1.16 USER MOD Single : A 11 LYS NZ :NH3+ 136:sc= -0.174 (180deg=-2.24!) USER MOD Single : A 14 ASN : amide:sc= -7.06! C(o=-7.1!,f=-12!) USER MOD Single : A 20 LYS NZ :NH3+ 152:sc= -0.177 (180deg=-0.994) USER MOD Single : A 22 SER OG : rot 74:sc= -1.12! USER MOD Single : A 25 CYS SG : rot 180:sc=-0.00674 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 69:sc= -0.33 USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 41 GLN : amide:sc= -0.0602 K(o=-0.06,f=-1.5!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -6.61! C(o=-6.6!,f=-20!) USER MOD Single : A 48 CYS SG : rot -43:sc= -6.44! USER MOD Single : A 60 THR OG1 : rot 100:sc= -1.34 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0848 USER MOD Single : A 63 ASN : amide:sc= -4.65! C(o=-4.7!,f=-2.2!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.375 K(o=-0.38,f=-2.1!) USER MOD Single : A 72 SER OG : rot 140:sc= -0.448 USER MOD Single : A 74 GLN : amide:sc= -0.255 X(o=-0.26,f=-0.65) USER MOD Single : A 77 GLN : amide:sc= -5.61! C(o=-5.6!,f=-14!) USER MOD Single : A 79 GLN : amide:sc= -3.98! C(o=-4!,f=-2.3!) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.279 USER MOD Single : A 82 SER OG : rot 44:sc= 1.13 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 MET CE :methyl -139:sc= -1.69 (180deg=-6.66!) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 107 CYS SG : rot -138:sc= -7.85! USER MOD Single : A 111 LYS NZ :NH3+ -160:sc= -0.0182 (180deg=-0.577) USER MOD Single : A 117 HIS : no HD1:sc= -4.95! C(o=-5!,f=-0.94!) USER MOD Single : A 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 124 CYS SG : rot 180:sc= -1.53 USER MOD Single : A 133 GLN : amide:sc= -0.022 X(o=-0.022,f=-0.42) USER MOD Single : A 134 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 141 GLN : amide:sc= -0.294 X(o=-0.29,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 -17.279 -24.765 -0.417 1.00 0.00 N ATOM 2 CA VAL A 4 -16.352 -23.749 -1.006 1.00 0.00 C ATOM 3 C VAL A 4 -15.403 -24.445 -1.996 1.00 0.00 C ATOM 4 O VAL A 4 -15.083 -25.606 -1.851 1.00 0.00 O ATOM 5 CB VAL A 4 -15.531 -23.087 0.116 1.00 0.00 C ATOM 6 CG1 VAL A 4 -15.009 -21.726 -0.354 1.00 0.00 C ATOM 7 CG2 VAL A 4 -16.392 -22.899 1.374 1.00 0.00 C ATOM 0 HA VAL A 4 -16.930 -22.985 -1.527 1.00 0.00 H new ATOM 0 HB VAL A 4 -14.690 -23.736 0.358 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -14.429 -21.263 0.445 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -14.375 -21.862 -1.230 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -15.850 -21.083 -0.611 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -15.795 -22.430 2.156 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -17.246 -22.264 1.139 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -16.746 -23.870 1.721 1.00 0.00 H new ATOM 17 N VAL A 5 -14.947 -23.733 -2.994 1.00 0.00 N ATOM 18 CA VAL A 5 -14.019 -24.343 -3.980 1.00 0.00 C ATOM 19 C VAL A 5 -12.661 -24.604 -3.303 1.00 0.00 C ATOM 20 O VAL A 5 -12.007 -23.670 -2.876 1.00 0.00 O ATOM 21 CB VAL A 5 -13.848 -23.379 -5.156 1.00 0.00 C ATOM 22 CG1 VAL A 5 -13.176 -22.081 -4.683 1.00 0.00 C ATOM 23 CG2 VAL A 5 -13.007 -24.056 -6.244 1.00 0.00 C ATOM 0 H VAL A 5 -15.180 -22.755 -3.165 1.00 0.00 H new ATOM 0 HA VAL A 5 -14.420 -25.289 -4.344 1.00 0.00 H new ATOM 0 HB VAL A 5 -14.826 -23.125 -5.566 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -13.059 -21.403 -5.528 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -13.795 -21.608 -3.921 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -12.196 -22.310 -4.264 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.882 -23.373 -7.085 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -12.029 -24.316 -5.839 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -13.511 -24.961 -6.583 1.00 0.00 H new ATOM 33 N PRO A 6 -12.224 -25.844 -3.184 1.00 0.00 N ATOM 34 CA PRO A 6 -10.905 -26.152 -2.544 1.00 0.00 C ATOM 35 C PRO A 6 -9.734 -25.461 -3.267 1.00 0.00 C ATOM 36 O PRO A 6 -8.584 -25.678 -2.932 1.00 0.00 O ATOM 37 CB PRO A 6 -10.770 -27.688 -2.663 1.00 0.00 C ATOM 38 CG PRO A 6 -12.155 -28.203 -2.890 1.00 0.00 C ATOM 39 CD PRO A 6 -12.911 -27.089 -3.615 1.00 0.00 C ATOM 0 HA PRO A 6 -10.870 -25.794 -1.515 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -10.112 -27.960 -3.488 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -10.338 -28.114 -1.757 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -12.138 -29.115 -3.487 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -12.638 -28.450 -1.945 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.866 -27.215 -4.697 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -13.966 -27.078 -3.339 1.00 0.00 H new ATOM 47 N ASP A 7 -9.993 -24.666 -4.273 1.00 0.00 N ATOM 48 CA ASP A 7 -8.849 -24.028 -5.015 1.00 0.00 C ATOM 49 C ASP A 7 -8.283 -22.824 -4.258 1.00 0.00 C ATOM 50 O ASP A 7 -7.219 -22.333 -4.585 1.00 0.00 O ATOM 51 CB ASP A 7 -9.289 -23.611 -6.435 1.00 0.00 C ATOM 52 CG ASP A 7 -10.145 -22.331 -6.429 1.00 0.00 C ATOM 53 OD1 ASP A 7 -10.034 -21.543 -5.512 1.00 0.00 O ATOM 54 OD2 ASP A 7 -10.898 -22.161 -7.377 1.00 0.00 O ATOM 0 H ASP A 7 -10.925 -24.430 -4.613 1.00 0.00 H new ATOM 0 HA ASP A 7 -8.056 -24.771 -5.095 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -8.406 -23.452 -7.055 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -9.856 -24.423 -6.890 1.00 0.00 H new ATOM 59 N GLN A 8 -8.953 -22.350 -3.244 1.00 0.00 N ATOM 60 CA GLN A 8 -8.404 -21.186 -2.483 1.00 0.00 C ATOM 61 C GLN A 8 -7.362 -21.712 -1.505 1.00 0.00 C ATOM 62 O GLN A 8 -6.188 -21.407 -1.593 1.00 0.00 O ATOM 63 CB GLN A 8 -9.522 -20.480 -1.708 1.00 0.00 C ATOM 64 CG GLN A 8 -10.691 -20.218 -2.667 1.00 0.00 C ATOM 65 CD GLN A 8 -11.719 -19.273 -2.041 1.00 0.00 C ATOM 66 OE1 GLN A 8 -11.449 -18.109 -1.830 1.00 0.00 O ATOM 67 NE2 GLN A 8 -12.904 -19.737 -1.765 1.00 0.00 N ATOM 0 H GLN A 8 -9.847 -22.711 -2.910 1.00 0.00 H new ATOM 0 HA GLN A 8 -7.959 -20.470 -3.173 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -9.850 -21.096 -0.871 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -9.158 -19.542 -1.289 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.314 -19.787 -3.595 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.171 -21.162 -2.926 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -13.123 -20.717 -1.945 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -13.613 -19.121 -1.368 1.00 0.00 H new ATOM 76 N ARG A 9 -7.794 -22.518 -0.587 1.00 0.00 N ATOM 77 CA ARG A 9 -6.851 -23.101 0.396 1.00 0.00 C ATOM 78 C ARG A 9 -5.700 -23.796 -0.341 1.00 0.00 C ATOM 79 O ARG A 9 -4.573 -23.798 0.109 1.00 0.00 O ATOM 80 CB ARG A 9 -7.571 -24.142 1.258 1.00 0.00 C ATOM 81 CG ARG A 9 -8.685 -23.491 2.084 1.00 0.00 C ATOM 82 CD ARG A 9 -8.104 -22.412 3.008 1.00 0.00 C ATOM 83 NE ARG A 9 -8.958 -22.303 4.235 1.00 0.00 N ATOM 84 CZ ARG A 9 -10.244 -22.098 4.152 1.00 0.00 C ATOM 85 NH1 ARG A 9 -10.799 -21.808 3.002 1.00 0.00 N ATOM 86 NH2 ARG A 9 -10.970 -22.128 5.240 1.00 0.00 N ATOM 0 H ARG A 9 -8.767 -22.801 -0.474 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.465 -22.299 1.026 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -7.992 -24.919 0.621 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.856 -24.627 1.923 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -9.428 -23.049 1.420 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -9.198 -24.249 2.676 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -7.080 -22.665 3.284 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -8.067 -21.454 2.490 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.525 -22.391 5.154 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -10.225 -21.741 2.161 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.805 -21.649 2.947 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -10.530 -22.310 6.142 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.976 -21.969 5.186 1.00 0.00 H new ATOM 100 N SER A 10 -5.988 -24.439 -1.441 1.00 0.00 N ATOM 101 CA SER A 10 -4.912 -25.188 -2.157 1.00 0.00 C ATOM 102 C SER A 10 -3.826 -24.265 -2.727 1.00 0.00 C ATOM 103 O SER A 10 -2.651 -24.498 -2.517 1.00 0.00 O ATOM 104 CB SER A 10 -5.534 -26.011 -3.282 1.00 0.00 C ATOM 105 OG SER A 10 -6.479 -26.909 -2.724 1.00 0.00 O ATOM 0 H SER A 10 -6.912 -24.479 -1.872 1.00 0.00 H new ATOM 0 HA SER A 10 -4.426 -25.839 -1.430 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.018 -25.355 -4.006 1.00 0.00 H new ATOM 0 HB3 SER A 10 -4.761 -26.562 -3.818 1.00 0.00 H new ATOM 0 HG SER A 10 -7.296 -26.421 -2.491 1.00 0.00 H new ATOM 111 N LYS A 11 -4.187 -23.238 -3.447 1.00 0.00 N ATOM 112 CA LYS A 11 -3.135 -22.343 -4.019 1.00 0.00 C ATOM 113 C LYS A 11 -2.306 -21.720 -2.891 1.00 0.00 C ATOM 114 O LYS A 11 -1.098 -21.593 -3.007 1.00 0.00 O ATOM 115 CB LYS A 11 -3.777 -21.256 -4.899 1.00 0.00 C ATOM 116 CG LYS A 11 -4.671 -20.321 -4.078 1.00 0.00 C ATOM 117 CD LYS A 11 -5.110 -19.132 -4.947 1.00 0.00 C ATOM 118 CE LYS A 11 -6.144 -19.583 -5.985 1.00 0.00 C ATOM 119 NZ LYS A 11 -6.852 -18.379 -6.498 1.00 0.00 N ATOM 0 H LYS A 11 -5.150 -22.980 -3.663 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.469 -22.934 -4.647 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.996 -20.675 -5.389 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.367 -21.726 -5.686 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.545 -20.862 -3.716 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.132 -19.964 -3.201 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.534 -18.350 -4.317 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.244 -18.701 -5.450 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.654 -20.112 -6.803 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.854 -20.278 -5.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.941 -18.443 -7.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.799 -18.325 -6.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.312 -17.526 -6.249 1.00 0.00 H new ATOM 133 N PHE A 12 -2.921 -21.333 -1.804 1.00 0.00 N ATOM 134 CA PHE A 12 -2.154 -20.725 -0.685 1.00 0.00 C ATOM 135 C PHE A 12 -1.097 -21.696 -0.149 1.00 0.00 C ATOM 136 O PHE A 12 0.011 -21.301 0.127 1.00 0.00 O ATOM 137 CB PHE A 12 -3.123 -20.338 0.437 1.00 0.00 C ATOM 138 CG PHE A 12 -2.360 -19.946 1.684 1.00 0.00 C ATOM 139 CD1 PHE A 12 -1.850 -20.953 2.525 1.00 0.00 C ATOM 140 CD2 PHE A 12 -2.173 -18.598 2.015 1.00 0.00 C ATOM 141 CE1 PHE A 12 -1.152 -20.608 3.690 1.00 0.00 C ATOM 142 CE2 PHE A 12 -1.477 -18.259 3.178 1.00 0.00 C ATOM 143 CZ PHE A 12 -0.967 -19.259 4.016 1.00 0.00 C ATOM 0 H PHE A 12 -3.925 -21.414 -1.646 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.639 -19.838 -1.055 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.752 -19.509 0.113 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.786 -21.174 0.657 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.997 -21.993 2.272 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.566 -17.823 1.373 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.758 -21.380 4.334 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.331 -17.220 3.433 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.431 -18.989 4.914 1.00 0.00 H new ATOM 153 N GLU A 13 -1.428 -22.949 0.038 1.00 0.00 N ATOM 154 CA GLU A 13 -0.417 -23.901 0.586 1.00 0.00 C ATOM 155 C GLU A 13 0.623 -24.331 -0.462 1.00 0.00 C ATOM 156 O GLU A 13 1.728 -24.681 -0.116 1.00 0.00 O ATOM 157 CB GLU A 13 -1.109 -25.152 1.163 1.00 0.00 C ATOM 158 CG GLU A 13 -1.925 -25.829 0.067 1.00 0.00 C ATOM 159 CD GLU A 13 -2.612 -27.081 0.634 1.00 0.00 C ATOM 160 OE1 GLU A 13 -3.642 -26.935 1.266 1.00 0.00 O ATOM 161 OE2 GLU A 13 -2.091 -28.164 0.415 1.00 0.00 O ATOM 0 H GLU A 13 -2.344 -23.350 -0.163 1.00 0.00 H new ATOM 0 HA GLU A 13 0.111 -23.369 1.377 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.365 -25.844 1.558 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.757 -24.872 1.994 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.672 -25.138 -0.324 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.277 -26.103 -0.766 1.00 0.00 H new ATOM 168 N ASN A 14 0.277 -24.364 -1.732 1.00 0.00 N ATOM 169 CA ASN A 14 1.267 -24.844 -2.767 1.00 0.00 C ATOM 170 C ASN A 14 1.939 -23.681 -3.527 1.00 0.00 C ATOM 171 O ASN A 14 2.997 -23.849 -4.104 1.00 0.00 O ATOM 172 CB ASN A 14 0.519 -25.747 -3.753 1.00 0.00 C ATOM 173 CG ASN A 14 -0.487 -24.923 -4.545 1.00 0.00 C ATOM 174 OD1 ASN A 14 -0.148 -23.889 -5.086 1.00 0.00 O ATOM 175 ND2 ASN A 14 -1.726 -25.325 -4.627 1.00 0.00 N ATOM 0 H ASN A 14 -0.634 -24.084 -2.096 1.00 0.00 H new ATOM 0 HA ASN A 14 2.064 -25.387 -2.259 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.226 -26.225 -4.431 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.006 -26.544 -3.214 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.409 -24.771 -5.145 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.012 -26.193 -4.173 1.00 0.00 H new ATOM 182 N GLU A 15 1.360 -22.512 -3.553 1.00 0.00 N ATOM 183 CA GLU A 15 2.023 -21.405 -4.308 1.00 0.00 C ATOM 184 C GLU A 15 3.232 -20.863 -3.531 1.00 0.00 C ATOM 185 O GLU A 15 3.103 -20.209 -2.517 1.00 0.00 O ATOM 186 CB GLU A 15 1.024 -20.264 -4.565 1.00 0.00 C ATOM 187 CG GLU A 15 -0.009 -20.693 -5.618 1.00 0.00 C ATOM 188 CD GLU A 15 0.666 -20.850 -6.988 1.00 0.00 C ATOM 189 OE1 GLU A 15 0.793 -19.854 -7.684 1.00 0.00 O ATOM 190 OE2 GLU A 15 1.047 -21.963 -7.322 1.00 0.00 O ATOM 0 H GLU A 15 0.479 -22.276 -3.097 1.00 0.00 H new ATOM 0 HA GLU A 15 2.368 -21.805 -5.261 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.519 -19.997 -3.637 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.555 -19.375 -4.906 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.472 -21.635 -5.322 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.806 -19.952 -5.680 1.00 0.00 H new ATOM 197 N GLU A 16 4.416 -21.118 -4.024 1.00 0.00 N ATOM 198 CA GLU A 16 5.634 -20.605 -3.335 1.00 0.00 C ATOM 199 C GLU A 16 5.738 -19.111 -3.582 1.00 0.00 C ATOM 200 O GLU A 16 6.550 -18.422 -3.006 1.00 0.00 O ATOM 201 CB GLU A 16 6.883 -21.286 -3.891 1.00 0.00 C ATOM 202 CG GLU A 16 6.834 -22.784 -3.562 1.00 0.00 C ATOM 203 CD GLU A 16 8.126 -23.460 -4.025 1.00 0.00 C ATOM 204 OE1 GLU A 16 8.289 -23.627 -5.223 1.00 0.00 O ATOM 205 OE2 GLU A 16 8.927 -23.805 -3.173 1.00 0.00 O ATOM 0 H GLU A 16 4.591 -21.658 -4.872 1.00 0.00 H new ATOM 0 HA GLU A 16 5.560 -20.815 -2.268 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.940 -21.141 -4.970 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.778 -20.837 -3.461 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.703 -22.926 -2.489 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.976 -23.245 -4.051 1.00 0.00 H new ATOM 212 N PHE A 17 4.921 -18.613 -4.451 1.00 0.00 N ATOM 213 CA PHE A 17 4.964 -17.166 -4.787 1.00 0.00 C ATOM 214 C PHE A 17 4.923 -16.289 -3.529 1.00 0.00 C ATOM 215 O PHE A 17 5.119 -15.089 -3.613 1.00 0.00 O ATOM 216 CB PHE A 17 3.770 -16.867 -5.731 1.00 0.00 C ATOM 217 CG PHE A 17 3.190 -15.498 -5.473 1.00 0.00 C ATOM 218 CD1 PHE A 17 3.904 -14.349 -5.820 1.00 0.00 C ATOM 219 CD2 PHE A 17 1.937 -15.382 -4.856 1.00 0.00 C ATOM 220 CE1 PHE A 17 3.369 -13.085 -5.545 1.00 0.00 C ATOM 221 CE2 PHE A 17 1.398 -14.123 -4.589 1.00 0.00 C ATOM 222 CZ PHE A 17 2.112 -12.971 -4.932 1.00 0.00 C ATOM 0 H PHE A 17 4.214 -19.150 -4.953 1.00 0.00 H new ATOM 0 HA PHE A 17 5.904 -16.928 -5.285 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.099 -16.934 -6.768 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.997 -17.623 -5.592 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.868 -14.436 -6.300 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.386 -16.271 -4.586 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.925 -12.196 -5.805 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.430 -14.038 -4.118 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.697 -11.996 -4.726 1.00 0.00 H new ATOM 232 N PHE A 18 4.683 -16.825 -2.367 1.00 0.00 N ATOM 233 CA PHE A 18 4.645 -15.919 -1.186 1.00 0.00 C ATOM 234 C PHE A 18 6.055 -15.605 -0.723 1.00 0.00 C ATOM 235 O PHE A 18 6.474 -14.475 -0.723 1.00 0.00 O ATOM 236 CB PHE A 18 3.866 -16.560 -0.053 1.00 0.00 C ATOM 237 CG PHE A 18 2.511 -16.926 -0.574 1.00 0.00 C ATOM 238 CD1 PHE A 18 1.609 -15.908 -0.906 1.00 0.00 C ATOM 239 CD2 PHE A 18 2.154 -18.266 -0.742 1.00 0.00 C ATOM 240 CE1 PHE A 18 0.348 -16.233 -1.399 1.00 0.00 C ATOM 241 CE2 PHE A 18 0.892 -18.594 -1.237 1.00 0.00 C ATOM 242 CZ PHE A 18 -0.021 -17.573 -1.565 1.00 0.00 C ATOM 0 H PHE A 18 4.517 -17.815 -2.185 1.00 0.00 H new ATOM 0 HA PHE A 18 4.149 -14.993 -1.477 1.00 0.00 H new ATOM 0 HB2 PHE A 18 4.385 -17.445 0.314 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.778 -15.871 0.787 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.891 -14.873 -0.780 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.855 -19.048 -0.489 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.348 -15.448 -1.654 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.615 -19.630 -1.369 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.001 -17.823 -1.943 1.00 0.00 H new ATOM 252 N ARG A 19 6.805 -16.581 -0.333 1.00 0.00 N ATOM 253 CA ARG A 19 8.189 -16.286 0.109 1.00 0.00 C ATOM 254 C ARG A 19 8.976 -15.677 -1.057 1.00 0.00 C ATOM 255 O ARG A 19 9.886 -14.904 -0.849 1.00 0.00 O ATOM 256 CB ARG A 19 8.856 -17.577 0.625 1.00 0.00 C ATOM 257 CG ARG A 19 8.268 -18.806 -0.091 1.00 0.00 C ATOM 258 CD ARG A 19 7.090 -19.370 0.723 1.00 0.00 C ATOM 259 NE ARG A 19 7.607 -20.165 1.880 1.00 0.00 N ATOM 260 CZ ARG A 19 6.808 -20.500 2.869 1.00 0.00 C ATOM 261 NH1 ARG A 19 5.551 -20.141 2.845 1.00 0.00 N ATOM 262 NH2 ARG A 19 7.264 -21.182 3.887 1.00 0.00 N ATOM 0 H ARG A 19 6.528 -17.562 -0.299 1.00 0.00 H new ATOM 0 HA ARG A 19 8.175 -15.565 0.926 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.932 -17.530 0.457 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.705 -17.668 1.701 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.932 -18.530 -1.090 1.00 0.00 H new ATOM 0 HG3 ARG A 19 9.036 -19.569 -0.213 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.461 -18.555 1.082 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.466 -19.999 0.088 1.00 0.00 H new ATOM 0 HE ARG A 19 8.586 -20.449 1.902 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.190 -19.601 2.059 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.932 -20.401 3.612 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.246 -21.458 3.918 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.638 -21.438 4.651 1.00 0.00 H new ATOM 276 N LYS A 20 8.651 -16.030 -2.274 1.00 0.00 N ATOM 277 CA LYS A 20 9.412 -15.468 -3.427 1.00 0.00 C ATOM 278 C LYS A 20 9.283 -13.942 -3.468 1.00 0.00 C ATOM 279 O LYS A 20 10.239 -13.249 -3.747 1.00 0.00 O ATOM 280 CB LYS A 20 8.889 -16.036 -4.747 1.00 0.00 C ATOM 281 CG LYS A 20 9.034 -17.570 -4.792 1.00 0.00 C ATOM 282 CD LYS A 20 10.514 -17.998 -4.876 1.00 0.00 C ATOM 283 CE LYS A 20 10.586 -19.461 -5.333 1.00 0.00 C ATOM 284 NZ LYS A 20 10.066 -19.561 -6.724 1.00 0.00 N ATOM 0 H LYS A 20 7.900 -16.676 -2.517 1.00 0.00 H new ATOM 0 HA LYS A 20 10.458 -15.745 -3.296 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.841 -15.764 -4.873 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.436 -15.592 -5.579 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.579 -18.005 -3.903 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.492 -17.962 -5.652 1.00 0.00 H new ATOM 0 HD2 LYS A 20 11.052 -17.358 -5.576 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.995 -17.883 -3.905 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.615 -19.819 -5.289 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.000 -20.093 -4.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.516 -20.365 -7.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.036 -19.704 -6.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.282 -18.684 -7.239 1.00 0.00 H new ATOM 298 N LEU A 21 8.111 -13.404 -3.197 1.00 0.00 N ATOM 299 CA LEU A 21 7.946 -11.906 -3.239 1.00 0.00 C ATOM 300 C LEU A 21 7.274 -11.397 -1.957 1.00 0.00 C ATOM 301 O LEU A 21 7.480 -10.269 -1.565 1.00 0.00 O ATOM 302 CB LEU A 21 7.080 -11.520 -4.445 1.00 0.00 C ATOM 303 CG LEU A 21 7.811 -11.869 -5.758 1.00 0.00 C ATOM 304 CD1 LEU A 21 6.852 -11.694 -6.945 1.00 0.00 C ATOM 305 CD2 LEU A 21 9.038 -10.958 -5.946 1.00 0.00 C ATOM 0 H LEU A 21 7.271 -13.928 -2.952 1.00 0.00 H new ATOM 0 HA LEU A 21 8.933 -11.452 -3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.126 -12.046 -4.400 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.858 -10.453 -4.416 1.00 0.00 H new ATOM 0 HG LEU A 21 8.146 -12.905 -5.709 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.371 -11.941 -7.871 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.995 -12.356 -6.821 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.509 -10.660 -6.986 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.544 -11.216 -6.877 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.716 -9.917 -5.984 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.724 -11.095 -5.110 1.00 0.00 H new ATOM 317 N SER A 22 6.484 -12.201 -1.297 1.00 0.00 N ATOM 318 CA SER A 22 5.823 -11.710 -0.048 1.00 0.00 C ATOM 319 C SER A 22 6.849 -11.672 1.093 1.00 0.00 C ATOM 320 O SER A 22 6.732 -12.366 2.081 1.00 0.00 O ATOM 321 CB SER A 22 4.654 -12.628 0.326 1.00 0.00 C ATOM 322 OG SER A 22 5.130 -13.710 1.106 1.00 0.00 O ATOM 0 H SER A 22 6.268 -13.162 -1.561 1.00 0.00 H new ATOM 0 HA SER A 22 5.436 -10.705 -0.218 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.903 -12.068 0.883 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.169 -13.002 -0.576 1.00 0.00 H new ATOM 0 HG SER A 22 5.345 -13.393 2.008 1.00 0.00 H new ATOM 328 N ARG A 23 7.865 -10.869 0.945 1.00 0.00 N ATOM 329 CA ARG A 23 8.931 -10.764 1.989 1.00 0.00 C ATOM 330 C ARG A 23 9.408 -9.315 2.064 1.00 0.00 C ATOM 331 O ARG A 23 8.929 -8.462 1.333 1.00 0.00 O ATOM 332 CB ARG A 23 10.105 -11.676 1.605 1.00 0.00 C ATOM 333 CG ARG A 23 10.664 -11.249 0.241 1.00 0.00 C ATOM 334 CD ARG A 23 11.776 -12.217 -0.196 1.00 0.00 C ATOM 335 NE ARG A 23 12.849 -12.267 0.857 1.00 0.00 N ATOM 336 CZ ARG A 23 13.506 -11.192 1.221 1.00 0.00 C ATOM 337 NH1 ARG A 23 13.369 -10.077 0.560 1.00 0.00 N ATOM 338 NH2 ARG A 23 14.342 -11.254 2.219 1.00 0.00 N ATOM 0 H ARG A 23 8.007 -10.270 0.132 1.00 0.00 H new ATOM 0 HA ARG A 23 8.538 -11.071 2.958 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.886 -11.619 2.363 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.774 -12.714 1.565 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.866 -11.239 -0.502 1.00 0.00 H new ATOM 0 HG3 ARG A 23 11.056 -10.234 0.301 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.362 -13.213 -0.355 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.201 -11.893 -1.146 1.00 0.00 H new ATOM 0 HE ARG A 23 13.071 -13.159 1.299 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.747 -10.036 -0.247 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.884 -9.246 0.850 1.00 0.00 H new ATOM 0 HH21 ARG A 23 14.483 -12.136 2.713 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.856 -10.421 2.506 1.00 0.00 H new ATOM 352 N GLU A 24 10.333 -9.017 2.942 1.00 0.00 N ATOM 353 CA GLU A 24 10.846 -7.617 3.049 1.00 0.00 C ATOM 354 C GLU A 24 11.507 -7.221 1.723 1.00 0.00 C ATOM 355 O GLU A 24 12.475 -7.817 1.303 1.00 0.00 O ATOM 356 CB GLU A 24 11.856 -7.529 4.211 1.00 0.00 C ATOM 357 CG GLU A 24 12.942 -8.597 4.055 1.00 0.00 C ATOM 358 CD GLU A 24 13.752 -8.688 5.344 1.00 0.00 C ATOM 359 OE1 GLU A 24 14.647 -7.880 5.512 1.00 0.00 O ATOM 360 OE2 GLU A 24 13.462 -9.567 6.139 1.00 0.00 O ATOM 0 H GLU A 24 10.755 -9.683 3.589 1.00 0.00 H new ATOM 0 HA GLU A 24 10.024 -6.930 3.251 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.311 -6.539 4.232 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.339 -7.662 5.161 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.489 -9.562 3.829 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.595 -8.348 3.219 1.00 0.00 H new ATOM 367 N CYS A 25 10.979 -6.216 1.056 1.00 0.00 N ATOM 368 CA CYS A 25 11.575 -5.771 -0.254 1.00 0.00 C ATOM 369 C CYS A 25 11.719 -4.252 -0.287 1.00 0.00 C ATOM 370 O CYS A 25 10.985 -3.532 0.361 1.00 0.00 O ATOM 371 CB CYS A 25 10.679 -6.212 -1.406 1.00 0.00 C ATOM 372 SG CYS A 25 10.819 -7.999 -1.608 1.00 0.00 S ATOM 0 H CYS A 25 10.163 -5.685 1.360 1.00 0.00 H new ATOM 0 HA CYS A 25 12.560 -6.226 -0.356 1.00 0.00 H new ATOM 0 HB2 CYS A 25 9.644 -5.936 -1.205 1.00 0.00 H new ATOM 0 HB3 CYS A 25 10.971 -5.705 -2.326 1.00 0.00 H new ATOM 0 HG CYS A 25 10.056 -8.386 -2.587 1.00 0.00 H new ATOM 378 N GLU A 26 12.645 -3.750 -1.059 1.00 0.00 N ATOM 379 CA GLU A 26 12.804 -2.281 -1.145 1.00 0.00 C ATOM 380 C GLU A 26 11.580 -1.706 -1.867 1.00 0.00 C ATOM 381 O GLU A 26 11.008 -2.354 -2.717 1.00 0.00 O ATOM 382 CB GLU A 26 14.077 -1.941 -1.924 1.00 0.00 C ATOM 383 CG GLU A 26 15.306 -2.414 -1.144 1.00 0.00 C ATOM 384 CD GLU A 26 15.496 -3.918 -1.338 1.00 0.00 C ATOM 385 OE1 GLU A 26 15.434 -4.363 -2.471 1.00 0.00 O ATOM 386 OE2 GLU A 26 15.698 -4.598 -0.345 1.00 0.00 O ATOM 0 H GLU A 26 13.292 -4.295 -1.629 1.00 0.00 H new ATOM 0 HA GLU A 26 12.884 -1.853 -0.146 1.00 0.00 H new ATOM 0 HB2 GLU A 26 14.052 -2.417 -2.904 1.00 0.00 H new ATOM 0 HB3 GLU A 26 14.134 -0.866 -2.093 1.00 0.00 H new ATOM 0 HG2 GLU A 26 16.192 -1.879 -1.485 1.00 0.00 H new ATOM 0 HG3 GLU A 26 15.185 -2.187 -0.085 1.00 0.00 H new ATOM 393 N ILE A 27 11.166 -0.501 -1.542 1.00 0.00 N ATOM 394 CA ILE A 27 9.970 0.091 -2.230 1.00 0.00 C ATOM 395 C ILE A 27 10.171 1.578 -2.521 1.00 0.00 C ATOM 396 O ILE A 27 10.861 2.292 -1.800 1.00 0.00 O ATOM 397 CB ILE A 27 8.728 -0.068 -1.347 1.00 0.00 C ATOM 398 CG1 ILE A 27 8.872 0.767 -0.059 1.00 0.00 C ATOM 399 CG2 ILE A 27 8.526 -1.538 -1.004 1.00 0.00 C ATOM 400 CD1 ILE A 27 7.563 0.726 0.746 1.00 0.00 C ATOM 0 H ILE A 27 11.600 0.094 -0.836 1.00 0.00 H new ATOM 0 HA ILE A 27 9.839 -0.439 -3.173 1.00 0.00 H new ATOM 0 HB ILE A 27 7.857 0.293 -1.894 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.692 0.379 0.545 1.00 0.00 H new ATOM 0 HG13 ILE A 27 9.121 1.798 -0.311 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.642 -1.647 -0.376 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.392 -2.111 -1.922 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.399 -1.910 -0.468 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.675 1.319 1.654 1.00 0.00 H new ATOM 0 HD12 ILE A 27 6.752 1.135 0.143 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.332 -0.305 1.013 1.00 0.00 H new ATOM 412 N LYS A 28 9.514 2.068 -3.543 1.00 0.00 N ATOM 413 CA LYS A 28 9.599 3.516 -3.867 1.00 0.00 C ATOM 414 C LYS A 28 8.265 3.971 -4.460 1.00 0.00 C ATOM 415 O LYS A 28 7.636 3.272 -5.240 1.00 0.00 O ATOM 416 CB LYS A 28 10.723 3.746 -4.865 1.00 0.00 C ATOM 417 CG LYS A 28 10.394 3.098 -6.208 1.00 0.00 C ATOM 418 CD LYS A 28 11.650 3.133 -7.076 1.00 0.00 C ATOM 419 CE LYS A 28 11.400 2.424 -8.402 1.00 0.00 C ATOM 420 NZ LYS A 28 12.581 2.614 -9.297 1.00 0.00 N ATOM 0 H LYS A 28 8.921 1.521 -4.167 1.00 0.00 H new ATOM 0 HA LYS A 28 9.807 4.090 -2.964 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.882 4.816 -5.001 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.653 3.333 -4.474 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.061 2.070 -6.063 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.579 3.631 -6.698 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.945 4.166 -7.259 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.476 2.654 -6.551 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.226 1.362 -8.232 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.503 2.822 -8.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.412 2.131 -10.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.727 3.629 -9.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.428 2.214 -8.844 1.00 0.00 H new ATOM 434 N TYR A 29 7.828 5.137 -4.067 1.00 0.00 N ATOM 435 CA TYR A 29 6.531 5.677 -4.562 1.00 0.00 C ATOM 436 C TYR A 29 6.633 6.027 -6.057 1.00 0.00 C ATOM 437 O TYR A 29 7.632 6.543 -6.523 1.00 0.00 O ATOM 438 CB TYR A 29 6.190 6.938 -3.749 1.00 0.00 C ATOM 439 CG TYR A 29 4.706 7.224 -3.817 1.00 0.00 C ATOM 440 CD1 TYR A 29 4.137 7.671 -5.011 1.00 0.00 C ATOM 441 CD2 TYR A 29 3.902 7.048 -2.685 1.00 0.00 C ATOM 442 CE1 TYR A 29 2.762 7.938 -5.076 1.00 0.00 C ATOM 443 CE2 TYR A 29 2.534 7.315 -2.745 1.00 0.00 C ATOM 444 CZ TYR A 29 1.962 7.760 -3.941 1.00 0.00 C ATOM 445 OH TYR A 29 0.609 8.030 -3.989 1.00 0.00 O ATOM 0 H TYR A 29 8.322 5.746 -3.415 1.00 0.00 H new ATOM 0 HA TYR A 29 5.748 4.928 -4.441 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.493 6.802 -2.711 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.749 7.790 -4.136 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.756 7.811 -5.885 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.343 6.704 -1.761 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.321 8.280 -6.000 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.917 7.178 -1.869 1.00 0.00 H new ATOM 0 HH TYR A 29 0.408 8.555 -4.792 1.00 0.00 H new ATOM 455 N THR A 30 5.592 5.755 -6.809 1.00 0.00 N ATOM 456 CA THR A 30 5.603 6.075 -8.276 1.00 0.00 C ATOM 457 C THR A 30 5.161 7.540 -8.477 1.00 0.00 C ATOM 458 O THR A 30 4.090 7.930 -8.063 1.00 0.00 O ATOM 459 CB THR A 30 4.643 5.131 -9.010 1.00 0.00 C ATOM 460 OG1 THR A 30 4.762 3.828 -8.462 1.00 0.00 O ATOM 461 CG2 THR A 30 4.989 5.084 -10.500 1.00 0.00 C ATOM 0 H THR A 30 4.732 5.324 -6.470 1.00 0.00 H new ATOM 0 HA THR A 30 6.608 5.943 -8.678 1.00 0.00 H new ATOM 0 HB THR A 30 3.622 5.495 -8.892 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.395 3.820 -7.553 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.301 4.411 -11.012 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.902 6.084 -10.925 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.010 4.724 -10.625 1.00 0.00 H new ATOM 469 N GLY A 31 5.988 8.346 -9.098 1.00 0.00 N ATOM 470 CA GLY A 31 5.614 9.784 -9.302 1.00 0.00 C ATOM 471 C GLY A 31 6.689 10.487 -10.132 1.00 0.00 C ATOM 472 O GLY A 31 7.440 9.862 -10.853 1.00 0.00 O ATOM 0 H GLY A 31 6.898 8.075 -9.470 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.650 9.850 -9.807 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.503 10.281 -8.338 1.00 0.00 H new ATOM 476 N PHE A 32 6.765 11.792 -10.047 1.00 0.00 N ATOM 477 CA PHE A 32 7.785 12.543 -10.842 1.00 0.00 C ATOM 478 C PHE A 32 9.075 12.704 -10.016 1.00 0.00 C ATOM 479 O PHE A 32 9.502 13.797 -9.706 1.00 0.00 O ATOM 480 CB PHE A 32 7.216 13.920 -11.203 1.00 0.00 C ATOM 481 CG PHE A 32 5.838 13.752 -11.811 1.00 0.00 C ATOM 482 CD1 PHE A 32 5.708 13.434 -13.168 1.00 0.00 C ATOM 483 CD2 PHE A 32 4.697 13.935 -11.020 1.00 0.00 C ATOM 484 CE1 PHE A 32 4.435 13.295 -13.733 1.00 0.00 C ATOM 485 CE2 PHE A 32 3.420 13.793 -11.586 1.00 0.00 C ATOM 486 CZ PHE A 32 3.289 13.471 -12.946 1.00 0.00 C ATOM 0 H PHE A 32 6.164 12.370 -9.460 1.00 0.00 H new ATOM 0 HA PHE A 32 8.021 11.995 -11.754 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.159 14.547 -10.313 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.877 14.426 -11.907 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.589 13.296 -13.778 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.799 14.185 -9.974 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.336 13.051 -14.780 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.540 13.931 -10.976 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.308 13.359 -13.384 1.00 0.00 H new ATOM 496 N ARG A 33 9.695 11.611 -9.658 1.00 0.00 N ATOM 497 CA ARG A 33 10.953 11.666 -8.847 1.00 0.00 C ATOM 498 C ARG A 33 12.002 12.570 -9.528 1.00 0.00 C ATOM 499 O ARG A 33 12.958 12.985 -8.905 1.00 0.00 O ATOM 500 CB ARG A 33 11.518 10.230 -8.691 1.00 0.00 C ATOM 501 CG ARG A 33 11.928 9.963 -7.235 1.00 0.00 C ATOM 502 CD ARG A 33 13.145 10.817 -6.884 1.00 0.00 C ATOM 503 NE ARG A 33 13.782 10.288 -5.644 1.00 0.00 N ATOM 504 CZ ARG A 33 14.964 10.712 -5.302 1.00 0.00 C ATOM 505 NH1 ARG A 33 15.578 11.591 -6.043 1.00 0.00 N ATOM 506 NH2 ARG A 33 15.532 10.265 -4.215 1.00 0.00 N ATOM 0 H ARG A 33 9.382 10.670 -9.895 1.00 0.00 H new ATOM 0 HA ARG A 33 10.726 12.085 -7.867 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.768 9.503 -9.002 1.00 0.00 H new ATOM 0 HB3 ARG A 33 12.379 10.100 -9.346 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.101 10.196 -6.564 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.160 8.907 -7.099 1.00 0.00 H new ATOM 0 HD2 ARG A 33 13.860 10.805 -7.706 1.00 0.00 H new ATOM 0 HD3 ARG A 33 12.845 11.854 -6.737 1.00 0.00 H new ATOM 0 HE ARG A 33 13.296 9.600 -5.069 1.00 0.00 H new ATOM 0 HH11 ARG A 33 15.132 11.945 -6.889 1.00 0.00 H new ATOM 0 HH12 ARG A 33 16.504 11.925 -5.777 1.00 0.00 H new ATOM 0 HH21 ARG A 33 15.049 9.582 -3.631 1.00 0.00 H new ATOM 0 HH22 ARG A 33 16.458 10.599 -3.949 1.00 0.00 H new ATOM 520 N ASP A 34 11.854 12.846 -10.800 1.00 0.00 N ATOM 521 CA ASP A 34 12.879 13.688 -11.499 1.00 0.00 C ATOM 522 C ASP A 34 12.669 15.160 -11.184 1.00 0.00 C ATOM 523 O ASP A 34 13.430 16.004 -11.609 1.00 0.00 O ATOM 524 CB ASP A 34 12.789 13.490 -13.013 1.00 0.00 C ATOM 525 CG ASP A 34 11.450 14.016 -13.545 1.00 0.00 C ATOM 526 OD1 ASP A 34 10.646 14.472 -12.747 1.00 0.00 O ATOM 527 OD2 ASP A 34 11.253 13.942 -14.744 1.00 0.00 O ATOM 0 H ASP A 34 11.078 12.530 -11.381 1.00 0.00 H new ATOM 0 HA ASP A 34 13.862 13.378 -11.146 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.612 14.011 -13.503 1.00 0.00 H new ATOM 0 HB3 ASP A 34 12.893 12.432 -13.254 1.00 0.00 H new ATOM 532 N ARG A 35 11.667 15.481 -10.428 1.00 0.00 N ATOM 533 CA ARG A 35 11.430 16.907 -10.062 1.00 0.00 C ATOM 534 C ARG A 35 12.322 17.249 -8.869 1.00 0.00 C ATOM 535 O ARG A 35 12.616 16.384 -8.068 1.00 0.00 O ATOM 536 CB ARG A 35 9.956 17.095 -9.699 1.00 0.00 C ATOM 537 CG ARG A 35 9.086 17.065 -10.975 1.00 0.00 C ATOM 538 CD ARG A 35 8.994 18.465 -11.595 1.00 0.00 C ATOM 539 NE ARG A 35 8.571 18.336 -13.015 1.00 0.00 N ATOM 540 CZ ARG A 35 8.168 19.397 -13.664 1.00 0.00 C ATOM 541 NH1 ARG A 35 8.191 20.560 -13.082 1.00 0.00 N ATOM 542 NH2 ARG A 35 7.750 19.285 -14.892 1.00 0.00 N ATOM 0 H ARG A 35 10.995 14.818 -10.043 1.00 0.00 H new ATOM 0 HA ARG A 35 11.669 17.566 -10.897 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.639 16.308 -9.015 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.820 18.043 -9.179 1.00 0.00 H new ATOM 0 HG2 ARG A 35 9.512 16.368 -11.697 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.087 16.702 -10.733 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.280 19.076 -11.043 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.959 18.969 -11.533 1.00 0.00 H new ATOM 0 HE ARG A 35 8.595 17.428 -13.478 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.523 20.643 -12.121 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.877 21.389 -13.587 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.738 18.371 -15.345 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.435 20.111 -15.401 1.00 0.00 H new ATOM 556 N PRO A 36 12.776 18.479 -8.737 1.00 0.00 N ATOM 557 CA PRO A 36 13.664 18.871 -7.603 1.00 0.00 C ATOM 558 C PRO A 36 13.203 18.219 -6.285 1.00 0.00 C ATOM 559 O PRO A 36 12.120 17.668 -6.214 1.00 0.00 O ATOM 560 CB PRO A 36 13.538 20.398 -7.554 1.00 0.00 C ATOM 561 CG PRO A 36 13.231 20.815 -8.966 1.00 0.00 C ATOM 562 CD PRO A 36 12.508 19.632 -9.635 1.00 0.00 C ATOM 0 HA PRO A 36 14.695 18.543 -7.738 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.746 20.706 -6.872 1.00 0.00 H new ATOM 0 HB3 PRO A 36 14.460 20.858 -7.200 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.604 21.707 -8.978 1.00 0.00 H new ATOM 0 HG3 PRO A 36 14.147 21.062 -9.503 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.439 19.822 -9.729 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.889 19.450 -10.640 1.00 0.00 H new ATOM 570 N HIS A 37 13.995 18.275 -5.248 1.00 0.00 N ATOM 571 CA HIS A 37 13.579 17.647 -3.961 1.00 0.00 C ATOM 572 C HIS A 37 12.216 18.181 -3.532 1.00 0.00 C ATOM 573 O HIS A 37 11.610 17.664 -2.622 1.00 0.00 O ATOM 574 CB HIS A 37 14.615 17.955 -2.881 1.00 0.00 C ATOM 575 CG HIS A 37 15.873 17.208 -3.195 1.00 0.00 C ATOM 576 ND1 HIS A 37 16.958 17.803 -3.811 1.00 0.00 N ATOM 577 CD2 HIS A 37 16.212 15.893 -3.021 1.00 0.00 C ATOM 578 CE1 HIS A 37 17.892 16.854 -3.994 1.00 0.00 C ATOM 579 NE2 HIS A 37 17.493 15.665 -3.528 1.00 0.00 N ATOM 0 H HIS A 37 14.909 18.727 -5.236 1.00 0.00 H new ATOM 0 HA HIS A 37 13.509 16.568 -4.100 1.00 0.00 H new ATOM 0 HB2 HIS A 37 14.812 19.026 -2.841 1.00 0.00 H new ATOM 0 HB3 HIS A 37 14.237 17.663 -1.901 1.00 0.00 H new ATOM 0 HD2 HIS A 37 15.583 15.145 -2.561 1.00 0.00 H new ATOM 0 HE1 HIS A 37 18.850 17.030 -4.461 1.00 0.00 H new ATOM 0 HE2 HIS A 37 18.010 14.786 -3.540 1.00 0.00 H new ATOM 587 N GLU A 38 11.728 19.212 -4.170 1.00 0.00 N ATOM 588 CA GLU A 38 10.407 19.774 -3.771 1.00 0.00 C ATOM 589 C GLU A 38 9.309 18.712 -3.906 1.00 0.00 C ATOM 590 O GLU A 38 8.238 18.847 -3.347 1.00 0.00 O ATOM 591 CB GLU A 38 10.083 20.988 -4.658 1.00 0.00 C ATOM 592 CG GLU A 38 9.786 20.522 -6.085 1.00 0.00 C ATOM 593 CD GLU A 38 9.713 21.736 -7.022 1.00 0.00 C ATOM 594 OE1 GLU A 38 9.842 22.850 -6.535 1.00 0.00 O ATOM 595 OE2 GLU A 38 9.520 21.532 -8.211 1.00 0.00 O ATOM 0 H GLU A 38 12.186 19.687 -4.948 1.00 0.00 H new ATOM 0 HA GLU A 38 10.452 20.088 -2.728 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.225 21.526 -4.255 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.923 21.683 -4.660 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.563 19.836 -6.423 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.844 19.974 -6.110 1.00 0.00 H new ATOM 602 N GLU A 39 9.547 17.670 -4.650 1.00 0.00 N ATOM 603 CA GLU A 39 8.481 16.644 -4.821 1.00 0.00 C ATOM 604 C GLU A 39 8.250 15.897 -3.512 1.00 0.00 C ATOM 605 O GLU A 39 7.192 15.360 -3.274 1.00 0.00 O ATOM 606 CB GLU A 39 8.887 15.668 -5.945 1.00 0.00 C ATOM 607 CG GLU A 39 9.896 14.607 -5.465 1.00 0.00 C ATOM 608 CD GLU A 39 11.223 15.265 -5.116 1.00 0.00 C ATOM 609 OE1 GLU A 39 11.355 15.724 -3.994 1.00 0.00 O ATOM 610 OE2 GLU A 39 12.091 15.282 -5.973 1.00 0.00 O ATOM 0 H GLU A 39 10.421 17.484 -5.142 1.00 0.00 H new ATOM 0 HA GLU A 39 7.547 17.133 -5.097 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.997 15.171 -6.330 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.321 16.230 -6.772 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.500 14.086 -4.594 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.046 13.859 -6.243 1.00 0.00 H new ATOM 617 N ARG A 40 9.226 15.831 -2.663 1.00 0.00 N ATOM 618 CA ARG A 40 9.013 15.079 -1.395 1.00 0.00 C ATOM 619 C ARG A 40 7.851 15.677 -0.604 1.00 0.00 C ATOM 620 O ARG A 40 6.941 14.976 -0.197 1.00 0.00 O ATOM 621 CB ARG A 40 10.304 15.127 -0.556 1.00 0.00 C ATOM 622 CG ARG A 40 10.540 16.548 -0.022 1.00 0.00 C ATOM 623 CD ARG A 40 12.000 16.708 0.421 1.00 0.00 C ATOM 624 NE ARG A 40 12.134 18.023 1.094 1.00 0.00 N ATOM 625 CZ ARG A 40 13.235 18.333 1.720 1.00 0.00 C ATOM 626 NH1 ARG A 40 14.246 17.508 1.724 1.00 0.00 N ATOM 627 NH2 ARG A 40 13.336 19.479 2.334 1.00 0.00 N ATOM 0 H ARG A 40 10.147 16.254 -2.782 1.00 0.00 H new ATOM 0 HA ARG A 40 8.767 14.044 -1.631 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.232 14.426 0.276 1.00 0.00 H new ATOM 0 HB3 ARG A 40 11.153 14.814 -1.164 1.00 0.00 H new ATOM 0 HG2 ARG A 40 10.304 17.279 -0.795 1.00 0.00 H new ATOM 0 HG3 ARG A 40 9.873 16.745 0.817 1.00 0.00 H new ATOM 0 HD2 ARG A 40 12.283 15.903 1.099 1.00 0.00 H new ATOM 0 HD3 ARG A 40 12.668 16.650 -0.439 1.00 0.00 H new ATOM 0 HE ARG A 40 11.361 18.688 1.067 1.00 0.00 H new ATOM 0 HH11 ARG A 40 14.178 16.615 1.236 1.00 0.00 H new ATOM 0 HH12 ARG A 40 15.105 17.756 2.215 1.00 0.00 H new ATOM 0 HH21 ARG A 40 12.554 20.133 2.325 1.00 0.00 H new ATOM 0 HH22 ARG A 40 14.197 19.721 2.824 1.00 0.00 H new ATOM 641 N GLN A 41 7.855 16.963 -0.385 1.00 0.00 N ATOM 642 CA GLN A 41 6.747 17.581 0.397 1.00 0.00 C ATOM 643 C GLN A 41 5.471 17.768 -0.431 1.00 0.00 C ATOM 644 O GLN A 41 4.418 17.318 -0.036 1.00 0.00 O ATOM 645 CB GLN A 41 7.212 18.918 0.977 1.00 0.00 C ATOM 646 CG GLN A 41 7.599 19.879 -0.150 1.00 0.00 C ATOM 647 CD GLN A 41 8.446 21.025 0.406 1.00 0.00 C ATOM 648 OE1 GLN A 41 9.227 20.841 1.325 1.00 0.00 O ATOM 649 NE2 GLN A 41 8.321 22.218 -0.115 1.00 0.00 N ATOM 0 H GLN A 41 8.573 17.610 -0.711 1.00 0.00 H new ATOM 0 HA GLN A 41 6.494 16.896 1.206 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.418 19.356 1.581 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.064 18.759 1.638 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.156 19.344 -0.919 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.702 20.276 -0.624 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.668 22.373 -0.883 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.876 22.993 0.247 1.00 0.00 H new ATOM 658 N THR A 42 5.529 18.439 -1.552 1.00 0.00 N ATOM 659 CA THR A 42 4.277 18.659 -2.346 1.00 0.00 C ATOM 660 C THR A 42 3.655 17.315 -2.743 1.00 0.00 C ATOM 661 O THR A 42 2.453 17.176 -2.779 1.00 0.00 O ATOM 662 CB THR A 42 4.588 19.483 -3.615 1.00 0.00 C ATOM 663 OG1 THR A 42 5.276 20.673 -3.246 1.00 0.00 O ATOM 664 CG2 THR A 42 3.293 19.852 -4.352 1.00 0.00 C ATOM 0 H THR A 42 6.377 18.841 -1.951 1.00 0.00 H new ATOM 0 HA THR A 42 3.568 19.209 -1.727 1.00 0.00 H new ATOM 0 HB THR A 42 5.209 18.882 -4.279 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.476 21.197 -4.049 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.534 20.432 -5.243 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.768 18.942 -4.643 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.656 20.444 -3.695 1.00 0.00 H new ATOM 672 N ARG A 43 4.434 16.331 -3.074 1.00 0.00 N ATOM 673 CA ARG A 43 3.811 15.034 -3.474 1.00 0.00 C ATOM 674 C ARG A 43 2.996 14.443 -2.304 1.00 0.00 C ATOM 675 O ARG A 43 1.932 13.897 -2.504 1.00 0.00 O ATOM 676 CB ARG A 43 4.896 14.039 -3.908 1.00 0.00 C ATOM 677 CG ARG A 43 4.240 12.821 -4.582 1.00 0.00 C ATOM 678 CD ARG A 43 3.915 13.134 -6.068 1.00 0.00 C ATOM 679 NE ARG A 43 2.505 12.757 -6.407 1.00 0.00 N ATOM 680 CZ ARG A 43 1.989 11.616 -6.027 1.00 0.00 C ATOM 681 NH1 ARG A 43 2.688 10.751 -5.350 1.00 0.00 N ATOM 682 NH2 ARG A 43 0.754 11.331 -6.334 1.00 0.00 N ATOM 0 H ARG A 43 5.454 16.359 -3.087 1.00 0.00 H new ATOM 0 HA ARG A 43 3.139 15.218 -4.312 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.589 14.520 -4.598 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.477 13.719 -3.043 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.907 11.961 -4.522 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.326 12.553 -4.052 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.066 14.196 -6.260 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.604 12.592 -6.715 1.00 0.00 H new ATOM 0 HE ARG A 43 1.933 13.406 -6.947 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.657 10.957 -5.106 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.267 9.867 -5.063 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.195 11.996 -6.868 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.347 10.443 -6.040 1.00 0.00 H new ATOM 696 N PHE A 44 3.485 14.507 -1.086 1.00 0.00 N ATOM 697 CA PHE A 44 2.699 13.892 0.027 1.00 0.00 C ATOM 698 C PHE A 44 1.339 14.564 0.189 1.00 0.00 C ATOM 699 O PHE A 44 0.324 13.899 0.263 1.00 0.00 O ATOM 700 CB PHE A 44 3.477 14.002 1.365 1.00 0.00 C ATOM 701 CG PHE A 44 4.378 12.793 1.564 1.00 0.00 C ATOM 702 CD1 PHE A 44 3.830 11.495 1.600 1.00 0.00 C ATOM 703 CD2 PHE A 44 5.764 12.957 1.690 1.00 0.00 C ATOM 704 CE1 PHE A 44 4.673 10.386 1.763 1.00 0.00 C ATOM 705 CE2 PHE A 44 6.600 11.846 1.848 1.00 0.00 C ATOM 706 CZ PHE A 44 6.054 10.562 1.890 1.00 0.00 C ATOM 0 H PHE A 44 4.367 14.945 -0.822 1.00 0.00 H new ATOM 0 HA PHE A 44 2.545 12.843 -0.228 1.00 0.00 H new ATOM 0 HB2 PHE A 44 4.076 14.913 1.369 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.774 14.079 2.195 1.00 0.00 H new ATOM 0 HD1 PHE A 44 2.764 11.355 1.502 1.00 0.00 H new ATOM 0 HD2 PHE A 44 6.190 13.949 1.665 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.253 9.391 1.791 1.00 0.00 H new ATOM 0 HE2 PHE A 44 7.668 11.982 1.937 1.00 0.00 H new ATOM 0 HZ PHE A 44 6.698 9.705 2.021 1.00 0.00 H new ATOM 716 N GLN A 45 1.281 15.855 0.267 1.00 0.00 N ATOM 717 CA GLN A 45 -0.047 16.473 0.462 1.00 0.00 C ATOM 718 C GLN A 45 -0.916 16.241 -0.771 1.00 0.00 C ATOM 719 O GLN A 45 -2.018 15.743 -0.679 1.00 0.00 O ATOM 720 CB GLN A 45 0.101 17.976 0.760 1.00 0.00 C ATOM 721 CG GLN A 45 1.229 18.617 -0.092 1.00 0.00 C ATOM 722 CD GLN A 45 2.453 18.957 0.786 1.00 0.00 C ATOM 723 OE1 GLN A 45 2.987 20.049 0.703 1.00 0.00 O ATOM 724 NE2 GLN A 45 2.922 18.072 1.619 1.00 0.00 N ATOM 0 H GLN A 45 2.073 16.495 0.206 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.535 16.007 1.318 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.842 18.483 0.557 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.318 18.118 1.819 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.525 17.932 -0.887 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.858 19.522 -0.573 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.479 17.156 1.693 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.732 18.295 2.197 1.00 0.00 H new ATOM 733 N ASN A 46 -0.437 16.581 -1.931 1.00 0.00 N ATOM 734 CA ASN A 46 -1.269 16.358 -3.146 1.00 0.00 C ATOM 735 C ASN A 46 -1.564 14.866 -3.318 1.00 0.00 C ATOM 736 O ASN A 46 -2.578 14.497 -3.856 1.00 0.00 O ATOM 737 CB ASN A 46 -0.593 16.931 -4.403 1.00 0.00 C ATOM 738 CG ASN A 46 0.608 16.084 -4.831 1.00 0.00 C ATOM 739 OD1 ASN A 46 0.835 15.009 -4.318 1.00 0.00 O ATOM 740 ND2 ASN A 46 1.400 16.533 -5.769 1.00 0.00 N ATOM 0 H ASN A 46 0.480 16.998 -2.092 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.212 16.888 -3.013 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.316 16.976 -5.217 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.268 17.953 -4.208 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.204 15.980 -6.066 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.214 17.437 -6.204 1.00 0.00 H new ATOM 747 N ALA A 47 -0.697 13.999 -2.862 1.00 0.00 N ATOM 748 CA ALA A 47 -0.954 12.537 -3.017 1.00 0.00 C ATOM 749 C ALA A 47 -1.810 12.046 -1.864 1.00 0.00 C ATOM 750 O ALA A 47 -2.613 11.156 -2.023 1.00 0.00 O ATOM 751 CB ALA A 47 0.367 11.757 -3.024 1.00 0.00 C ATOM 0 H ALA A 47 0.175 14.240 -2.391 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.471 12.374 -3.963 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.161 10.693 -3.138 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.986 12.097 -3.854 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.894 11.926 -2.085 1.00 0.00 H new ATOM 757 N CYS A 48 -1.665 12.618 -0.703 1.00 0.00 N ATOM 758 CA CYS A 48 -2.507 12.150 0.415 1.00 0.00 C ATOM 759 C CYS A 48 -3.974 12.418 0.060 1.00 0.00 C ATOM 760 O CYS A 48 -4.839 11.607 0.322 1.00 0.00 O ATOM 761 CB CYS A 48 -2.137 12.876 1.708 1.00 0.00 C ATOM 762 SG CYS A 48 -2.747 14.573 1.666 1.00 0.00 S ATOM 0 H CYS A 48 -1.013 13.373 -0.488 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.348 11.083 0.573 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.562 12.350 2.563 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.055 12.874 1.838 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.509 15.091 0.497 1.00 0.00 H new ATOM 768 N ARG A 49 -4.267 13.552 -0.554 1.00 0.00 N ATOM 769 CA ARG A 49 -5.694 13.832 -0.931 1.00 0.00 C ATOM 770 C ARG A 49 -6.146 12.764 -1.924 1.00 0.00 C ATOM 771 O ARG A 49 -7.205 12.185 -1.779 1.00 0.00 O ATOM 772 CB ARG A 49 -5.845 15.226 -1.554 1.00 0.00 C ATOM 773 CG ARG A 49 -4.745 15.460 -2.574 1.00 0.00 C ATOM 774 CD ARG A 49 -4.932 16.833 -3.227 1.00 0.00 C ATOM 775 NE ARG A 49 -4.564 17.898 -2.251 1.00 0.00 N ATOM 776 CZ ARG A 49 -4.385 19.131 -2.656 1.00 0.00 C ATOM 777 NH1 ARG A 49 -4.559 19.437 -3.906 1.00 0.00 N ATOM 778 NH2 ARG A 49 -4.031 20.048 -1.800 1.00 0.00 N ATOM 0 H ARG A 49 -3.595 14.277 -0.804 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.313 13.807 -0.034 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.821 15.316 -2.032 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.799 15.988 -0.776 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.770 15.406 -2.090 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.768 14.679 -3.334 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.311 16.911 -4.119 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.967 16.958 -3.547 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.451 17.666 -1.264 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.835 18.717 -4.574 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.419 20.397 -4.220 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.894 19.804 -0.819 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.891 21.009 -2.111 1.00 0.00 H new ATOM 792 N ASP A 50 -5.320 12.447 -2.896 1.00 0.00 N ATOM 793 CA ASP A 50 -5.680 11.353 -3.845 1.00 0.00 C ATOM 794 C ASP A 50 -5.002 10.114 -3.292 1.00 0.00 C ATOM 795 O ASP A 50 -3.930 9.708 -3.693 1.00 0.00 O ATOM 796 CB ASP A 50 -5.233 11.651 -5.290 1.00 0.00 C ATOM 797 CG ASP A 50 -3.733 11.933 -5.356 1.00 0.00 C ATOM 798 OD1 ASP A 50 -2.973 10.984 -5.356 1.00 0.00 O ATOM 799 OD2 ASP A 50 -3.375 13.091 -5.435 1.00 0.00 O ATOM 0 H ASP A 50 -4.421 12.897 -3.069 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.761 11.232 -3.915 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.475 10.803 -5.931 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.784 12.509 -5.675 1.00 0.00 H new ATOM 804 N GLY A 51 -5.624 9.543 -2.320 1.00 0.00 N ATOM 805 CA GLY A 51 -5.054 8.357 -1.639 1.00 0.00 C ATOM 806 C GLY A 51 -4.962 7.167 -2.596 1.00 0.00 C ATOM 807 O GLY A 51 -4.787 6.049 -2.165 1.00 0.00 O ATOM 0 H GLY A 51 -6.525 9.851 -1.956 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.063 8.596 -1.254 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.674 8.092 -0.782 1.00 0.00 H new ATOM 811 N ARG A 52 -5.034 7.394 -3.884 1.00 0.00 N ATOM 812 CA ARG A 52 -4.901 6.257 -4.846 1.00 0.00 C ATOM 813 C ARG A 52 -3.420 6.208 -5.269 1.00 0.00 C ATOM 814 O ARG A 52 -3.044 6.602 -6.357 1.00 0.00 O ATOM 815 CB ARG A 52 -5.769 6.533 -6.073 1.00 0.00 C ATOM 816 CG ARG A 52 -7.205 6.856 -5.638 1.00 0.00 C ATOM 817 CD ARG A 52 -8.088 6.968 -6.877 1.00 0.00 C ATOM 818 NE ARG A 52 -9.402 7.573 -6.499 1.00 0.00 N ATOM 819 CZ ARG A 52 -10.202 7.022 -5.629 1.00 0.00 C ATOM 820 NH1 ARG A 52 -9.946 5.849 -5.112 1.00 0.00 N ATOM 821 NH2 ARG A 52 -11.288 7.643 -5.280 1.00 0.00 N ATOM 0 H ARG A 52 -5.178 8.310 -4.309 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.216 5.315 -4.396 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.356 7.367 -6.641 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.767 5.666 -6.733 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.582 6.076 -4.977 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.227 7.789 -5.075 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.597 7.581 -7.632 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.242 5.983 -7.317 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.683 8.450 -6.938 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.104 5.343 -5.387 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.588 5.440 -4.433 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.508 8.553 -5.686 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.921 7.221 -4.600 1.00 0.00 H new ATOM 835 N SER A 53 -2.586 5.747 -4.380 1.00 0.00 N ATOM 836 CA SER A 53 -1.114 5.678 -4.628 1.00 0.00 C ATOM 837 C SER A 53 -0.718 4.487 -5.503 1.00 0.00 C ATOM 838 O SER A 53 -1.386 3.472 -5.513 1.00 0.00 O ATOM 839 CB SER A 53 -0.412 5.538 -3.279 1.00 0.00 C ATOM 840 OG SER A 53 0.979 5.347 -3.483 1.00 0.00 O ATOM 0 H SER A 53 -2.871 5.404 -3.463 1.00 0.00 H new ATOM 0 HA SER A 53 -0.820 6.586 -5.154 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.582 6.429 -2.675 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.828 4.695 -2.727 1.00 0.00 H new ATOM 0 HG SER A 53 1.451 6.191 -3.328 1.00 0.00 H new ATOM 846 N GLU A 54 0.406 4.589 -6.184 1.00 0.00 N ATOM 847 CA GLU A 54 0.912 3.441 -7.008 1.00 0.00 C ATOM 848 C GLU A 54 2.379 3.253 -6.617 1.00 0.00 C ATOM 849 O GLU A 54 3.148 4.195 -6.604 1.00 0.00 O ATOM 850 CB GLU A 54 0.811 3.760 -8.513 1.00 0.00 C ATOM 851 CG GLU A 54 -0.625 4.180 -8.856 1.00 0.00 C ATOM 852 CD GLU A 54 -0.789 4.299 -10.376 1.00 0.00 C ATOM 853 OE1 GLU A 54 0.049 3.773 -11.087 1.00 0.00 O ATOM 854 OE2 GLU A 54 -1.757 4.910 -10.802 1.00 0.00 O ATOM 0 H GLU A 54 0.995 5.422 -6.203 1.00 0.00 H new ATOM 0 HA GLU A 54 0.323 2.542 -6.826 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.506 4.558 -8.773 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.095 2.887 -9.100 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.330 3.448 -8.462 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.857 5.133 -8.381 1.00 0.00 H new ATOM 861 N ILE A 55 2.775 2.062 -6.263 1.00 0.00 N ATOM 862 CA ILE A 55 4.188 1.840 -5.830 1.00 0.00 C ATOM 863 C ILE A 55 4.630 0.458 -6.262 1.00 0.00 C ATOM 864 O ILE A 55 3.822 -0.386 -6.591 1.00 0.00 O ATOM 865 CB ILE A 55 4.238 1.969 -4.305 1.00 0.00 C ATOM 866 CG1 ILE A 55 5.512 1.324 -3.721 1.00 0.00 C ATOM 867 CG2 ILE A 55 3.009 1.290 -3.702 1.00 0.00 C ATOM 868 CD1 ILE A 55 5.754 1.810 -2.269 1.00 0.00 C ATOM 0 H ILE A 55 2.183 1.231 -6.254 1.00 0.00 H new ATOM 0 HA ILE A 55 4.856 2.572 -6.283 1.00 0.00 H new ATOM 0 HB ILE A 55 4.250 3.030 -4.055 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.416 0.238 -3.735 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.371 1.576 -4.342 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.040 1.379 -2.616 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.106 1.770 -4.080 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.003 0.236 -3.979 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.657 1.344 -1.875 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.873 2.893 -2.263 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.903 1.535 -1.647 1.00 0.00 H new ATOM 880 N ALA A 56 5.918 0.220 -6.284 1.00 0.00 N ATOM 881 CA ALA A 56 6.404 -1.129 -6.721 1.00 0.00 C ATOM 882 C ALA A 56 7.659 -1.564 -5.956 1.00 0.00 C ATOM 883 O ALA A 56 8.288 -0.793 -5.252 1.00 0.00 O ATOM 884 CB ALA A 56 6.730 -1.109 -8.223 1.00 0.00 C ATOM 0 H ALA A 56 6.644 0.887 -6.024 1.00 0.00 H new ATOM 0 HA ALA A 56 5.605 -1.840 -6.510 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.082 -2.093 -8.532 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.833 -0.851 -8.787 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.506 -0.368 -8.417 1.00 0.00 H new ATOM 890 N PHE A 57 8.030 -2.815 -6.131 1.00 0.00 N ATOM 891 CA PHE A 57 9.261 -3.350 -5.470 1.00 0.00 C ATOM 892 C PHE A 57 10.438 -3.093 -6.414 1.00 0.00 C ATOM 893 O PHE A 57 10.415 -3.499 -7.558 1.00 0.00 O ATOM 894 CB PHE A 57 9.152 -4.871 -5.283 1.00 0.00 C ATOM 895 CG PHE A 57 8.014 -5.224 -4.352 1.00 0.00 C ATOM 896 CD1 PHE A 57 8.086 -4.869 -3.008 1.00 0.00 C ATOM 897 CD2 PHE A 57 6.911 -5.942 -4.833 1.00 0.00 C ATOM 898 CE1 PHE A 57 7.048 -5.223 -2.136 1.00 0.00 C ATOM 899 CE2 PHE A 57 5.875 -6.298 -3.958 1.00 0.00 C ATOM 900 CZ PHE A 57 5.945 -5.939 -2.611 1.00 0.00 C ATOM 0 H PHE A 57 7.527 -3.489 -6.708 1.00 0.00 H new ATOM 0 HA PHE A 57 9.390 -2.869 -4.500 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.997 -5.349 -6.250 1.00 0.00 H new ATOM 0 HB3 PHE A 57 10.088 -5.259 -4.882 1.00 0.00 H new ATOM 0 HD1 PHE A 57 8.940 -4.322 -2.638 1.00 0.00 H new ATOM 0 HD2 PHE A 57 6.859 -6.220 -5.875 1.00 0.00 H new ATOM 0 HE1 PHE A 57 7.100 -4.942 -1.094 1.00 0.00 H new ATOM 0 HE2 PHE A 57 5.023 -6.850 -4.326 1.00 0.00 H new ATOM 0 HZ PHE A 57 5.148 -6.214 -1.936 1.00 0.00 H new ATOM 910 N VAL A 58 11.482 -2.460 -5.955 1.00 0.00 N ATOM 911 CA VAL A 58 12.632 -2.234 -6.872 1.00 0.00 C ATOM 912 C VAL A 58 13.162 -3.591 -7.344 1.00 0.00 C ATOM 913 O VAL A 58 13.516 -3.763 -8.495 1.00 0.00 O ATOM 914 CB VAL A 58 13.737 -1.488 -6.111 1.00 0.00 C ATOM 915 CG1 VAL A 58 15.033 -1.468 -6.940 1.00 0.00 C ATOM 916 CG2 VAL A 58 13.278 -0.045 -5.861 1.00 0.00 C ATOM 0 H VAL A 58 11.588 -2.097 -5.008 1.00 0.00 H new ATOM 0 HA VAL A 58 12.318 -1.643 -7.732 1.00 0.00 H new ATOM 0 HB VAL A 58 13.929 -1.995 -5.165 1.00 0.00 H new ATOM 0 HG11 VAL A 58 15.809 -0.936 -6.389 1.00 0.00 H new ATOM 0 HG12 VAL A 58 15.359 -2.491 -7.130 1.00 0.00 H new ATOM 0 HG13 VAL A 58 14.850 -0.963 -7.889 1.00 0.00 H new ATOM 0 HG21 VAL A 58 14.055 0.496 -5.321 1.00 0.00 H new ATOM 0 HG22 VAL A 58 13.090 0.447 -6.815 1.00 0.00 H new ATOM 0 HG23 VAL A 58 12.362 -0.052 -5.269 1.00 0.00 H new ATOM 926 N ALA A 59 13.209 -4.552 -6.463 1.00 0.00 N ATOM 927 CA ALA A 59 13.715 -5.909 -6.826 1.00 0.00 C ATOM 928 C ALA A 59 12.833 -6.574 -7.882 1.00 0.00 C ATOM 929 O ALA A 59 13.324 -7.274 -8.748 1.00 0.00 O ATOM 930 CB ALA A 59 13.734 -6.786 -5.577 1.00 0.00 C ATOM 0 H ALA A 59 12.914 -4.454 -5.492 1.00 0.00 H new ATOM 0 HA ALA A 59 14.718 -5.797 -7.237 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.103 -7.779 -5.835 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.388 -6.339 -4.829 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.724 -6.867 -5.174 1.00 0.00 H new ATOM 936 N THR A 60 11.538 -6.401 -7.797 1.00 0.00 N ATOM 937 CA THR A 60 10.611 -7.065 -8.768 1.00 0.00 C ATOM 938 C THR A 60 9.820 -6.009 -9.556 1.00 0.00 C ATOM 939 O THR A 60 9.368 -5.018 -9.019 1.00 0.00 O ATOM 940 CB THR A 60 9.644 -7.962 -7.984 1.00 0.00 C ATOM 941 OG1 THR A 60 10.391 -8.791 -7.099 1.00 0.00 O ATOM 942 CG2 THR A 60 8.850 -8.842 -8.957 1.00 0.00 C ATOM 0 H THR A 60 11.079 -5.824 -7.092 1.00 0.00 H new ATOM 0 HA THR A 60 11.186 -7.662 -9.475 1.00 0.00 H new ATOM 0 HB THR A 60 8.952 -7.341 -7.415 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.364 -8.412 -6.195 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.165 -9.477 -8.396 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.282 -8.209 -9.639 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.538 -9.466 -9.528 1.00 0.00 H new ATOM 950 N GLY A 61 9.644 -6.238 -10.829 1.00 0.00 N ATOM 951 CA GLY A 61 8.881 -5.270 -11.669 1.00 0.00 C ATOM 952 C GLY A 61 7.405 -5.311 -11.282 1.00 0.00 C ATOM 953 O GLY A 61 6.587 -4.604 -11.833 1.00 0.00 O ATOM 0 H GLY A 61 9.997 -7.056 -11.325 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.276 -4.263 -11.532 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.998 -5.517 -12.724 1.00 0.00 H new ATOM 957 N THR A 62 7.052 -6.126 -10.326 1.00 0.00 N ATOM 958 CA THR A 62 5.627 -6.194 -9.903 1.00 0.00 C ATOM 959 C THR A 62 5.239 -4.863 -9.249 1.00 0.00 C ATOM 960 O THR A 62 5.973 -4.339 -8.438 1.00 0.00 O ATOM 961 CB THR A 62 5.452 -7.315 -8.871 1.00 0.00 C ATOM 962 OG1 THR A 62 5.835 -8.553 -9.449 1.00 0.00 O ATOM 963 CG2 THR A 62 3.982 -7.377 -8.437 1.00 0.00 C ATOM 0 H THR A 62 7.687 -6.745 -9.822 1.00 0.00 H new ATOM 0 HA THR A 62 4.998 -6.389 -10.772 1.00 0.00 H new ATOM 0 HB THR A 62 6.078 -7.116 -8.001 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.725 -9.270 -8.790 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.853 -8.173 -7.703 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.693 -6.424 -7.994 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.354 -7.579 -9.305 1.00 0.00 H new ATOM 971 N ASN A 63 4.091 -4.317 -9.589 1.00 0.00 N ATOM 972 CA ASN A 63 3.656 -3.012 -8.979 1.00 0.00 C ATOM 973 C ASN A 63 2.376 -3.236 -8.172 1.00 0.00 C ATOM 974 O ASN A 63 1.457 -3.873 -8.626 1.00 0.00 O ATOM 975 CB ASN A 63 3.373 -1.991 -10.094 1.00 0.00 C ATOM 976 CG ASN A 63 2.185 -2.449 -10.923 1.00 0.00 C ATOM 977 OD1 ASN A 63 2.337 -2.852 -12.056 1.00 0.00 O ATOM 978 ND2 ASN A 63 0.991 -2.403 -10.399 1.00 0.00 N ATOM 0 H ASN A 63 3.437 -4.717 -10.261 1.00 0.00 H new ATOM 0 HA ASN A 63 4.445 -2.635 -8.329 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.169 -1.012 -9.660 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.251 -1.881 -10.730 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.183 -2.707 -10.943 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.865 -2.064 -9.445 1.00 0.00 H new ATOM 985 N LEU A 64 2.308 -2.700 -6.976 1.00 0.00 N ATOM 986 CA LEU A 64 1.080 -2.857 -6.136 1.00 0.00 C ATOM 987 C LEU A 64 0.466 -1.474 -5.911 1.00 0.00 C ATOM 988 O LEU A 64 1.116 -0.566 -5.429 1.00 0.00 O ATOM 989 CB LEU A 64 1.459 -3.479 -4.791 1.00 0.00 C ATOM 990 CG LEU A 64 2.100 -4.859 -5.003 1.00 0.00 C ATOM 991 CD1 LEU A 64 2.490 -5.425 -3.640 1.00 0.00 C ATOM 992 CD2 LEU A 64 1.109 -5.833 -5.676 1.00 0.00 C ATOM 0 H LEU A 64 3.056 -2.157 -6.544 1.00 0.00 H new ATOM 0 HA LEU A 64 0.361 -3.506 -6.637 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.153 -2.825 -4.263 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.572 -3.575 -4.164 1.00 0.00 H new ATOM 0 HG LEU A 64 2.971 -4.747 -5.648 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.947 -6.406 -3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.201 -4.754 -3.158 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.600 -5.520 -3.017 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.588 -6.802 -5.814 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.229 -5.951 -5.044 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.809 -5.435 -6.645 1.00 0.00 H new ATOM 1004 N SER A 65 -0.785 -1.315 -6.253 1.00 0.00 N ATOM 1005 CA SER A 65 -1.487 -0.002 -6.076 1.00 0.00 C ATOM 1006 C SER A 65 -2.548 -0.157 -4.993 1.00 0.00 C ATOM 1007 O SER A 65 -3.112 -1.225 -4.830 1.00 0.00 O ATOM 1008 CB SER A 65 -2.164 0.370 -7.392 1.00 0.00 C ATOM 1009 OG SER A 65 -3.070 -0.665 -7.744 1.00 0.00 O ATOM 0 H SER A 65 -1.364 -2.052 -6.656 1.00 0.00 H new ATOM 0 HA SER A 65 -0.777 0.774 -5.791 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.693 1.318 -7.291 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.419 0.503 -8.176 1.00 0.00 H new ATOM 0 HG SER A 65 -3.514 -0.438 -8.588 1.00 0.00 H new ATOM 1015 N LEU A 66 -2.837 0.873 -4.231 1.00 0.00 N ATOM 1016 CA LEU A 66 -3.871 0.725 -3.153 1.00 0.00 C ATOM 1017 C LEU A 66 -4.611 2.048 -2.907 1.00 0.00 C ATOM 1018 O LEU A 66 -4.147 3.120 -3.248 1.00 0.00 O ATOM 1019 CB LEU A 66 -3.202 0.279 -1.840 1.00 0.00 C ATOM 1020 CG LEU A 66 -1.796 0.907 -1.721 1.00 0.00 C ATOM 1021 CD1 LEU A 66 -1.375 0.934 -0.244 1.00 0.00 C ATOM 1022 CD2 LEU A 66 -0.749 0.110 -2.556 1.00 0.00 C ATOM 0 H LEU A 66 -2.410 1.796 -4.306 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.589 -0.026 -3.483 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.816 0.578 -0.990 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.127 -0.808 -1.812 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.836 1.923 -2.114 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.383 1.377 -0.157 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.089 1.528 0.327 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.354 -0.083 0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.231 0.576 -2.452 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.702 -0.917 -2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.043 0.113 -3.606 1.00 0.00 H new ATOM 1034 N GLN A 67 -5.771 1.953 -2.284 1.00 0.00 N ATOM 1035 CA GLN A 67 -6.585 3.165 -1.971 1.00 0.00 C ATOM 1036 C GLN A 67 -6.935 3.152 -0.474 1.00 0.00 C ATOM 1037 O GLN A 67 -7.740 2.361 -0.017 1.00 0.00 O ATOM 1038 CB GLN A 67 -7.882 3.102 -2.780 1.00 0.00 C ATOM 1039 CG GLN A 67 -7.545 3.016 -4.271 1.00 0.00 C ATOM 1040 CD GLN A 67 -8.837 2.872 -5.076 1.00 0.00 C ATOM 1041 OE1 GLN A 67 -9.890 2.644 -4.518 1.00 0.00 O ATOM 1042 NE2 GLN A 67 -8.809 2.982 -6.377 1.00 0.00 N ATOM 0 H GLN A 67 -6.186 1.073 -1.979 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.028 4.069 -2.218 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.471 2.236 -2.478 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.490 3.985 -2.583 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -7.005 3.909 -4.585 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.890 2.165 -4.459 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.928 3.174 -6.854 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.668 2.876 -6.916 1.00 0.00 H new ATOM 1051 N PHE A 68 -6.338 4.027 0.300 1.00 0.00 N ATOM 1052 CA PHE A 68 -6.640 4.078 1.776 1.00 0.00 C ATOM 1053 C PHE A 68 -7.779 5.068 2.063 1.00 0.00 C ATOM 1054 O PHE A 68 -8.878 4.678 2.410 1.00 0.00 O ATOM 1055 CB PHE A 68 -5.381 4.488 2.566 1.00 0.00 C ATOM 1056 CG PHE A 68 -4.496 5.327 1.697 1.00 0.00 C ATOM 1057 CD1 PHE A 68 -3.732 4.705 0.717 1.00 0.00 C ATOM 1058 CD2 PHE A 68 -4.405 6.711 1.888 1.00 0.00 C ATOM 1059 CE1 PHE A 68 -2.887 5.459 -0.094 1.00 0.00 C ATOM 1060 CE2 PHE A 68 -3.541 7.467 1.084 1.00 0.00 C ATOM 1061 CZ PHE A 68 -2.785 6.836 0.086 1.00 0.00 C ATOM 0 H PHE A 68 -5.653 4.711 -0.022 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.953 3.083 2.094 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.665 5.045 3.459 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.844 3.601 2.901 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.793 3.635 0.584 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.998 7.194 2.651 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.308 4.973 -0.866 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.458 8.533 1.233 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.125 7.417 -0.542 1.00 0.00 H new ATOM 1071 N PHE A 69 -7.527 6.352 1.944 1.00 0.00 N ATOM 1072 CA PHE A 69 -8.601 7.353 2.235 1.00 0.00 C ATOM 1073 C PHE A 69 -8.447 8.572 1.318 1.00 0.00 C ATOM 1074 O PHE A 69 -7.937 9.600 1.724 1.00 0.00 O ATOM 1075 CB PHE A 69 -8.470 7.793 3.700 1.00 0.00 C ATOM 1076 CG PHE A 69 -9.627 8.696 4.096 1.00 0.00 C ATOM 1077 CD1 PHE A 69 -10.954 8.232 4.044 1.00 0.00 C ATOM 1078 CD2 PHE A 69 -9.373 10.012 4.524 1.00 0.00 C ATOM 1079 CE1 PHE A 69 -12.015 9.082 4.415 1.00 0.00 C ATOM 1080 CE2 PHE A 69 -10.428 10.858 4.889 1.00 0.00 C ATOM 1081 CZ PHE A 69 -11.747 10.397 4.838 1.00 0.00 C ATOM 0 H PHE A 69 -6.630 6.746 1.660 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.579 6.906 2.060 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.448 6.916 4.347 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.526 8.319 3.844 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.160 7.223 3.719 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.356 10.373 4.571 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.033 8.724 4.375 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -10.222 11.868 5.210 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.559 11.049 5.123 1.00 0.00 H new ATOM 1091 N PRO A 70 -8.890 8.462 0.088 1.00 0.00 N ATOM 1092 CA PRO A 70 -8.809 9.556 -0.909 1.00 0.00 C ATOM 1093 C PRO A 70 -10.069 10.419 -0.890 1.00 0.00 C ATOM 1094 O PRO A 70 -11.171 9.908 -0.919 1.00 0.00 O ATOM 1095 CB PRO A 70 -8.731 8.786 -2.221 1.00 0.00 C ATOM 1096 CG PRO A 70 -9.645 7.620 -1.994 1.00 0.00 C ATOM 1097 CD PRO A 70 -9.522 7.270 -0.491 1.00 0.00 C ATOM 0 HA PRO A 70 -7.977 10.237 -0.732 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -9.058 9.395 -3.064 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -7.713 8.462 -2.437 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -10.673 7.873 -2.253 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.359 6.773 -2.617 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.496 7.075 -0.043 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -8.915 6.378 -0.335 1.00 0.00 H new ATOM 1105 N ALA A 71 -9.929 11.717 -0.850 1.00 0.00 N ATOM 1106 CA ALA A 71 -11.149 12.568 -0.833 1.00 0.00 C ATOM 1107 C ALA A 71 -11.992 12.269 -2.078 1.00 0.00 C ATOM 1108 O ALA A 71 -13.181 12.022 -1.981 1.00 0.00 O ATOM 1109 CB ALA A 71 -10.726 14.032 -0.858 1.00 0.00 C ATOM 0 H ALA A 71 -9.040 12.216 -0.829 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.734 12.362 0.063 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -11.612 14.667 -0.846 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -10.112 14.248 0.017 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -10.151 14.229 -1.763 1.00 0.00 H new ATOM 1115 N SER A 72 -11.386 12.280 -3.237 1.00 0.00 N ATOM 1116 CA SER A 72 -12.149 12.001 -4.496 1.00 0.00 C ATOM 1117 C SER A 72 -11.207 11.975 -5.706 1.00 0.00 C ATOM 1118 O SER A 72 -10.191 12.637 -5.728 1.00 0.00 O ATOM 1119 CB SER A 72 -13.189 13.110 -4.700 1.00 0.00 C ATOM 1120 OG SER A 72 -14.278 12.606 -5.459 1.00 0.00 O ATOM 0 H SER A 72 -10.393 12.470 -3.369 1.00 0.00 H new ATOM 0 HA SER A 72 -12.634 11.029 -4.407 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.542 13.474 -3.735 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.736 13.958 -5.214 1.00 0.00 H new ATOM 0 HG SER A 72 -15.119 12.957 -5.098 1.00 0.00 H new ATOM 1126 N TRP A 73 -11.549 11.235 -6.733 1.00 0.00 N ATOM 1127 CA TRP A 73 -10.669 11.211 -7.940 1.00 0.00 C ATOM 1128 C TRP A 73 -10.956 12.462 -8.791 1.00 0.00 C ATOM 1129 O TRP A 73 -10.330 13.489 -8.627 1.00 0.00 O ATOM 1130 CB TRP A 73 -10.949 9.930 -8.739 1.00 0.00 C ATOM 1131 CG TRP A 73 -9.964 9.777 -9.880 1.00 0.00 C ATOM 1132 CD1 TRP A 73 -8.615 9.919 -9.785 1.00 0.00 C ATOM 1133 CD2 TRP A 73 -10.228 9.414 -11.269 1.00 0.00 C ATOM 1134 NE1 TRP A 73 -8.046 9.679 -11.023 1.00 0.00 N ATOM 1135 CE2 TRP A 73 -8.994 9.356 -11.967 1.00 0.00 C ATOM 1136 CE3 TRP A 73 -11.402 9.133 -11.986 1.00 0.00 C ATOM 1137 CZ2 TRP A 73 -8.934 9.027 -13.320 1.00 0.00 C ATOM 1138 CZ3 TRP A 73 -11.344 8.801 -13.349 1.00 0.00 C ATOM 1139 CH2 TRP A 73 -10.111 8.742 -14.014 1.00 0.00 C ATOM 0 H TRP A 73 -12.387 10.655 -6.787 1.00 0.00 H new ATOM 0 HA TRP A 73 -9.618 11.217 -7.649 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -10.885 9.064 -8.080 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -11.965 9.957 -9.132 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -8.074 10.178 -8.887 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -7.045 9.735 -11.213 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -12.358 9.173 -11.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -7.982 8.993 -13.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -12.255 8.590 -13.889 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -10.072 8.477 -15.060 1.00 0.00 H new ATOM 1150 N GLN A 74 -11.925 12.396 -9.670 1.00 0.00 N ATOM 1151 CA GLN A 74 -12.278 13.594 -10.507 1.00 0.00 C ATOM 1152 C GLN A 74 -13.412 14.371 -9.830 1.00 0.00 C ATOM 1153 O GLN A 74 -14.025 15.232 -10.426 1.00 0.00 O ATOM 1154 CB GLN A 74 -12.742 13.132 -11.895 1.00 0.00 C ATOM 1155 CG GLN A 74 -11.576 12.463 -12.633 1.00 0.00 C ATOM 1156 CD GLN A 74 -10.503 13.511 -12.956 1.00 0.00 C ATOM 1157 OE1 GLN A 74 -10.814 14.579 -13.432 1.00 0.00 O ATOM 1158 NE2 GLN A 74 -9.236 13.243 -12.712 1.00 0.00 N ATOM 0 H GLN A 74 -12.490 11.565 -9.847 1.00 0.00 H new ATOM 0 HA GLN A 74 -11.402 14.235 -10.609 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -13.572 12.433 -11.797 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -13.108 13.983 -12.469 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -11.151 11.670 -12.018 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -11.933 11.998 -13.552 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.973 12.343 -12.311 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -8.518 13.936 -12.924 1.00 0.00 H new ATOM 1167 N GLY A 75 -13.715 14.052 -8.602 1.00 0.00 N ATOM 1168 CA GLY A 75 -14.834 14.755 -7.894 1.00 0.00 C ATOM 1169 C GLY A 75 -14.576 16.263 -7.796 1.00 0.00 C ATOM 1170 O GLY A 75 -13.454 16.712 -7.667 1.00 0.00 O ATOM 0 H GLY A 75 -13.239 13.335 -8.054 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -15.770 14.578 -8.425 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -14.951 14.339 -6.893 1.00 0.00 H new ATOM 1174 N GLU A 76 -15.628 17.037 -7.826 1.00 0.00 N ATOM 1175 CA GLU A 76 -15.498 18.522 -7.711 1.00 0.00 C ATOM 1176 C GLU A 76 -15.593 18.920 -6.239 1.00 0.00 C ATOM 1177 O GLU A 76 -15.689 20.082 -5.899 1.00 0.00 O ATOM 1178 CB GLU A 76 -16.604 19.207 -8.537 1.00 0.00 C ATOM 1179 CG GLU A 76 -17.986 18.869 -7.970 1.00 0.00 C ATOM 1180 CD GLU A 76 -18.303 17.398 -8.247 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -17.662 16.830 -9.118 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -19.171 16.862 -7.580 1.00 0.00 O ATOM 0 H GLU A 76 -16.585 16.700 -7.927 1.00 0.00 H new ATOM 0 HA GLU A 76 -14.532 18.843 -8.102 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -16.456 20.287 -8.529 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -16.542 18.884 -9.576 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -18.008 19.061 -6.897 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -18.744 19.508 -8.424 1.00 0.00 H new ATOM 1189 N GLN A 77 -15.576 17.951 -5.366 1.00 0.00 N ATOM 1190 CA GLN A 77 -15.671 18.247 -3.918 1.00 0.00 C ATOM 1191 C GLN A 77 -14.457 19.057 -3.491 1.00 0.00 C ATOM 1192 O GLN A 77 -13.775 19.642 -4.313 1.00 0.00 O ATOM 1193 CB GLN A 77 -15.756 16.920 -3.145 1.00 0.00 C ATOM 1194 CG GLN A 77 -14.374 16.280 -2.955 1.00 0.00 C ATOM 1195 CD GLN A 77 -13.612 16.268 -4.272 1.00 0.00 C ATOM 1196 OE1 GLN A 77 -14.145 15.867 -5.285 1.00 0.00 O ATOM 1197 NE2 GLN A 77 -12.375 16.682 -4.301 1.00 0.00 N ATOM 0 H GLN A 77 -15.500 16.961 -5.600 1.00 0.00 H new ATOM 0 HA GLN A 77 -16.564 18.833 -3.703 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -16.212 17.096 -2.171 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -16.406 16.228 -3.681 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -13.809 16.834 -2.205 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -14.485 15.262 -2.582 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -11.930 17.019 -3.447 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -11.853 16.669 -5.177 1.00 0.00 H new ATOM 1206 N ARG A 78 -14.173 19.107 -2.216 1.00 0.00 N ATOM 1207 CA ARG A 78 -13.000 19.891 -1.738 1.00 0.00 C ATOM 1208 C ARG A 78 -11.778 18.979 -1.713 1.00 0.00 C ATOM 1209 O ARG A 78 -11.822 17.861 -1.239 1.00 0.00 O ATOM 1210 CB ARG A 78 -13.275 20.408 -0.319 1.00 0.00 C ATOM 1211 CG ARG A 78 -14.618 21.152 -0.258 1.00 0.00 C ATOM 1212 CD ARG A 78 -14.551 22.446 -1.067 1.00 0.00 C ATOM 1213 NE ARG A 78 -15.753 23.272 -0.803 1.00 0.00 N ATOM 1214 CZ ARG A 78 -15.728 24.532 -1.106 1.00 0.00 C ATOM 1215 NH1 ARG A 78 -14.686 25.026 -1.720 1.00 0.00 N ATOM 1216 NH2 ARG A 78 -16.735 25.287 -0.807 1.00 0.00 N ATOM 0 H ARG A 78 -14.706 18.637 -1.484 1.00 0.00 H new ATOM 0 HA ARG A 78 -12.823 20.736 -2.403 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -13.285 19.573 0.381 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -12.471 21.075 -0.008 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -15.412 20.514 -0.647 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -14.869 21.377 0.779 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -13.652 23.003 -0.804 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -14.484 22.217 -2.130 1.00 0.00 H new ATOM 0 HE ARG A 78 -16.587 22.855 -0.389 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -13.900 24.421 -1.958 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.659 26.017 -1.962 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -17.547 24.891 -0.334 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -16.717 26.279 -1.045 1.00 0.00 H new ATOM 1230 N GLN A 79 -10.681 19.444 -2.241 1.00 0.00 N ATOM 1231 CA GLN A 79 -9.455 18.611 -2.275 1.00 0.00 C ATOM 1232 C GLN A 79 -8.745 18.654 -0.915 1.00 0.00 C ATOM 1233 O GLN A 79 -7.615 19.086 -0.814 1.00 0.00 O ATOM 1234 CB GLN A 79 -8.518 19.141 -3.367 1.00 0.00 C ATOM 1235 CG GLN A 79 -8.510 20.684 -3.351 1.00 0.00 C ATOM 1236 CD GLN A 79 -9.668 21.228 -4.200 1.00 0.00 C ATOM 1237 OE1 GLN A 79 -9.720 20.991 -5.388 1.00 0.00 O ATOM 1238 NE2 GLN A 79 -10.593 21.950 -3.636 1.00 0.00 N ATOM 0 H GLN A 79 -10.584 20.372 -2.652 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.727 17.578 -2.492 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.509 18.762 -3.207 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -8.843 18.781 -4.343 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.600 21.045 -2.326 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.560 21.054 -3.738 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -10.547 22.148 -2.636 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -11.364 22.318 -4.194 1.00 0.00 H new ATOM 1247 N THR A 80 -9.393 18.199 0.122 1.00 0.00 N ATOM 1248 CA THR A 80 -8.747 18.210 1.468 1.00 0.00 C ATOM 1249 C THR A 80 -7.804 17.002 1.592 1.00 0.00 C ATOM 1250 O THR A 80 -8.108 15.938 1.099 1.00 0.00 O ATOM 1251 CB THR A 80 -9.817 18.104 2.559 1.00 0.00 C ATOM 1252 OG1 THR A 80 -9.196 18.147 3.833 1.00 0.00 O ATOM 1253 CG2 THR A 80 -10.574 16.786 2.411 1.00 0.00 C ATOM 0 H THR A 80 -10.340 17.821 0.097 1.00 0.00 H new ATOM 0 HA THR A 80 -8.189 19.139 1.585 1.00 0.00 H new ATOM 0 HB THR A 80 -10.515 18.936 2.462 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.879 18.081 4.532 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.334 16.714 3.189 1.00 0.00 H new ATOM 0 HG22 THR A 80 -11.052 16.749 1.432 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.877 15.953 2.507 1.00 0.00 H new ATOM 1261 N PRO A 81 -6.675 17.143 2.250 1.00 0.00 N ATOM 1262 CA PRO A 81 -5.722 16.008 2.421 1.00 0.00 C ATOM 1263 C PRO A 81 -6.220 14.985 3.459 1.00 0.00 C ATOM 1264 O PRO A 81 -7.152 15.236 4.199 1.00 0.00 O ATOM 1265 CB PRO A 81 -4.441 16.698 2.900 1.00 0.00 C ATOM 1266 CG PRO A 81 -4.916 17.895 3.655 1.00 0.00 C ATOM 1267 CD PRO A 81 -6.168 18.374 2.908 1.00 0.00 C ATOM 0 HA PRO A 81 -5.590 15.433 1.504 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.849 16.038 3.535 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.808 16.985 2.060 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -5.148 17.641 4.689 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.152 18.672 3.681 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -6.905 18.796 3.591 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.928 19.148 2.179 1.00 0.00 H new ATOM 1275 N SER A 82 -5.603 13.832 3.521 1.00 0.00 N ATOM 1276 CA SER A 82 -6.042 12.817 4.514 1.00 0.00 C ATOM 1277 C SER A 82 -5.379 13.111 5.855 1.00 0.00 C ATOM 1278 O SER A 82 -4.173 13.071 5.991 1.00 0.00 O ATOM 1279 CB SER A 82 -5.636 11.415 4.033 1.00 0.00 C ATOM 1280 OG SER A 82 -5.791 10.491 5.100 1.00 0.00 O ATOM 0 H SER A 82 -4.820 13.555 2.929 1.00 0.00 H new ATOM 0 HA SER A 82 -7.126 12.857 4.625 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.252 11.116 3.185 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.602 11.421 3.689 1.00 0.00 H new ATOM 0 HG SER A 82 -6.645 10.653 5.552 1.00 0.00 H new ATOM 1286 N ARG A 83 -6.173 13.439 6.836 1.00 0.00 N ATOM 1287 CA ARG A 83 -5.635 13.739 8.182 1.00 0.00 C ATOM 1288 C ARG A 83 -4.866 12.527 8.678 1.00 0.00 C ATOM 1289 O ARG A 83 -3.881 12.643 9.383 1.00 0.00 O ATOM 1290 CB ARG A 83 -6.807 14.044 9.122 1.00 0.00 C ATOM 1291 CG ARG A 83 -6.305 14.376 10.526 1.00 0.00 C ATOM 1292 CD ARG A 83 -7.523 14.597 11.430 1.00 0.00 C ATOM 1293 NE ARG A 83 -7.084 15.105 12.765 1.00 0.00 N ATOM 1294 CZ ARG A 83 -6.200 14.467 13.478 1.00 0.00 C ATOM 1295 NH1 ARG A 83 -5.838 13.256 13.161 1.00 0.00 N ATOM 1296 NH2 ARG A 83 -5.712 15.032 14.547 1.00 0.00 N ATOM 0 H ARG A 83 -7.187 13.512 6.755 1.00 0.00 H new ATOM 0 HA ARG A 83 -4.967 14.600 8.149 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.385 14.881 8.730 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.478 13.186 9.164 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.688 13.564 10.911 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.680 15.269 10.505 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.205 15.310 10.967 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.071 13.663 11.550 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.485 15.970 13.126 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -6.248 12.798 12.347 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.145 12.766 13.727 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -6.023 15.965 14.818 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.019 14.541 15.112 1.00 0.00 H new ATOM 1310 N GLU A 84 -5.317 11.360 8.324 1.00 0.00 N ATOM 1311 CA GLU A 84 -4.620 10.135 8.790 1.00 0.00 C ATOM 1312 C GLU A 84 -3.177 10.131 8.292 1.00 0.00 C ATOM 1313 O GLU A 84 -2.289 9.625 8.942 1.00 0.00 O ATOM 1314 CB GLU A 84 -5.343 8.889 8.279 1.00 0.00 C ATOM 1315 CG GLU A 84 -6.761 8.850 8.862 1.00 0.00 C ATOM 1316 CD GLU A 84 -7.659 9.848 8.117 1.00 0.00 C ATOM 1317 OE1 GLU A 84 -7.576 9.900 6.903 1.00 0.00 O ATOM 1318 OE2 GLU A 84 -8.416 10.541 8.781 1.00 0.00 O ATOM 0 H GLU A 84 -6.134 11.202 7.735 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.623 10.127 9.880 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.386 8.900 7.190 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.794 7.992 8.567 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.171 7.844 8.776 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.734 9.094 9.924 1.00 0.00 H new ATOM 1325 N TYR A 85 -2.939 10.669 7.136 1.00 0.00 N ATOM 1326 CA TYR A 85 -1.557 10.674 6.587 1.00 0.00 C ATOM 1327 C TYR A 85 -0.626 11.508 7.486 1.00 0.00 C ATOM 1328 O TYR A 85 0.512 11.150 7.716 1.00 0.00 O ATOM 1329 CB TYR A 85 -1.629 11.197 5.127 1.00 0.00 C ATOM 1330 CG TYR A 85 -0.732 12.400 4.849 1.00 0.00 C ATOM 1331 CD1 TYR A 85 0.659 12.278 4.923 1.00 0.00 C ATOM 1332 CD2 TYR A 85 -1.310 13.618 4.450 1.00 0.00 C ATOM 1333 CE1 TYR A 85 1.473 13.373 4.606 1.00 0.00 C ATOM 1334 CE2 TYR A 85 -0.494 14.711 4.137 1.00 0.00 C ATOM 1335 CZ TYR A 85 0.897 14.585 4.213 1.00 0.00 C ATOM 1336 OH TYR A 85 1.706 15.657 3.897 1.00 0.00 O ATOM 0 H TYR A 85 -3.643 11.108 6.543 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.132 9.671 6.572 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.354 10.389 4.449 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.660 11.467 4.900 1.00 0.00 H new ATOM 0 HD1 TYR A 85 1.105 11.341 5.224 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.384 13.710 4.385 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.547 13.281 4.665 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.937 15.649 3.838 1.00 0.00 H new ATOM 0 HH TYR A 85 1.150 16.423 3.643 1.00 0.00 H new ATOM 1346 N VAL A 86 -1.099 12.600 8.017 1.00 0.00 N ATOM 1347 CA VAL A 86 -0.228 13.442 8.903 1.00 0.00 C ATOM 1348 C VAL A 86 -0.428 13.023 10.361 1.00 0.00 C ATOM 1349 O VAL A 86 -0.029 13.720 11.281 1.00 0.00 O ATOM 1350 CB VAL A 86 -0.568 14.932 8.712 1.00 0.00 C ATOM 1351 CG1 VAL A 86 0.603 15.806 9.176 1.00 0.00 C ATOM 1352 CG2 VAL A 86 -0.819 15.210 7.227 1.00 0.00 C ATOM 0 H VAL A 86 -2.047 12.950 7.880 1.00 0.00 H new ATOM 0 HA VAL A 86 0.818 13.293 8.635 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.456 15.165 9.299 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.350 16.857 9.036 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.802 15.618 10.231 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.491 15.565 8.591 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.060 16.264 7.090 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.076 14.965 6.655 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.652 14.599 6.878 1.00 0.00 H new ATOM 1362 N ASP A 87 -1.000 11.864 10.582 1.00 0.00 N ATOM 1363 CA ASP A 87 -1.177 11.356 11.976 1.00 0.00 C ATOM 1364 C ASP A 87 -0.047 10.371 12.229 1.00 0.00 C ATOM 1365 O ASP A 87 0.227 10.001 13.348 1.00 0.00 O ATOM 1366 CB ASP A 87 -2.555 10.650 12.154 1.00 0.00 C ATOM 1367 CG ASP A 87 -2.481 9.138 11.831 1.00 0.00 C ATOM 1368 OD1 ASP A 87 -1.750 8.437 12.516 1.00 0.00 O ATOM 1369 OD2 ASP A 87 -3.173 8.707 10.930 1.00 0.00 O ATOM 0 H ASP A 87 -1.353 11.246 9.852 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.153 12.183 12.685 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.901 10.785 13.179 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.291 11.123 11.504 1.00 0.00 H new ATOM 1374 N LEU A 88 0.629 9.968 11.174 1.00 0.00 N ATOM 1375 CA LEU A 88 1.773 9.019 11.315 1.00 0.00 C ATOM 1376 C LEU A 88 3.025 9.754 10.884 1.00 0.00 C ATOM 1377 O LEU A 88 4.134 9.315 11.113 1.00 0.00 O ATOM 1378 CB LEU A 88 1.542 7.734 10.476 1.00 0.00 C ATOM 1379 CG LEU A 88 0.631 8.004 9.258 1.00 0.00 C ATOM 1380 CD1 LEU A 88 1.462 8.556 8.108 1.00 0.00 C ATOM 1381 CD2 LEU A 88 -0.029 6.693 8.802 1.00 0.00 C ATOM 0 H LEU A 88 0.432 10.261 10.217 1.00 0.00 H new ATOM 0 HA LEU A 88 1.872 8.690 12.349 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.501 7.345 10.134 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.092 6.965 11.104 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.135 8.725 9.544 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.816 8.745 7.251 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.937 9.487 8.417 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.228 7.831 7.832 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.671 6.888 7.943 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.742 5.975 8.523 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.627 6.285 9.616 1.00 0.00 H new ATOM 1393 N GLU A 89 2.857 10.902 10.298 1.00 0.00 N ATOM 1394 CA GLU A 89 4.029 11.704 9.896 1.00 0.00 C ATOM 1395 C GLU A 89 4.549 12.373 11.153 1.00 0.00 C ATOM 1396 O GLU A 89 5.724 12.623 11.312 1.00 0.00 O ATOM 1397 CB GLU A 89 3.581 12.781 8.911 1.00 0.00 C ATOM 1398 CG GLU A 89 4.816 13.435 8.295 1.00 0.00 C ATOM 1399 CD GLU A 89 4.396 14.623 7.425 1.00 0.00 C ATOM 1400 OE1 GLU A 89 3.462 14.468 6.657 1.00 0.00 O ATOM 1401 OE2 GLU A 89 5.028 15.660 7.533 1.00 0.00 O ATOM 0 H GLU A 89 1.951 11.318 10.081 1.00 0.00 H new ATOM 0 HA GLU A 89 4.794 11.084 9.427 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.958 12.343 8.131 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.974 13.529 9.421 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.492 13.770 9.082 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.362 12.708 7.694 1.00 0.00 H new ATOM 1408 N ARG A 90 3.656 12.658 12.053 1.00 0.00 N ATOM 1409 CA ARG A 90 4.039 13.302 13.327 1.00 0.00 C ATOM 1410 C ARG A 90 4.995 12.389 14.085 1.00 0.00 C ATOM 1411 O ARG A 90 5.831 12.838 14.849 1.00 0.00 O ATOM 1412 CB ARG A 90 2.785 13.536 14.169 1.00 0.00 C ATOM 1413 CG ARG A 90 3.137 14.424 15.358 1.00 0.00 C ATOM 1414 CD ARG A 90 1.896 14.677 16.213 1.00 0.00 C ATOM 1415 NE ARG A 90 2.263 15.553 17.356 1.00 0.00 N ATOM 1416 CZ ARG A 90 1.335 16.161 18.033 1.00 0.00 C ATOM 1417 NH1 ARG A 90 0.084 16.029 17.699 1.00 0.00 N ATOM 1418 NH2 ARG A 90 1.662 16.905 19.042 1.00 0.00 N ATOM 0 H ARG A 90 2.659 12.467 11.954 1.00 0.00 H new ATOM 0 HA ARG A 90 4.528 14.255 13.126 1.00 0.00 H new ATOM 0 HB2 ARG A 90 2.010 14.007 13.565 1.00 0.00 H new ATOM 0 HB3 ARG A 90 2.383 12.584 14.517 1.00 0.00 H new ATOM 0 HG2 ARG A 90 3.911 13.948 15.960 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.544 15.372 15.006 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.116 15.147 15.614 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.492 13.733 16.578 1.00 0.00 H new ATOM 0 HE ARG A 90 3.243 15.677 17.609 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -0.172 15.446 16.902 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -0.640 16.509 18.234 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.643 17.011 19.301 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.939 17.385 19.577 1.00 0.00 H new ATOM 1432 N GLU A 91 4.856 11.108 13.897 1.00 0.00 N ATOM 1433 CA GLU A 91 5.723 10.142 14.633 1.00 0.00 C ATOM 1434 C GLU A 91 7.180 10.266 14.183 1.00 0.00 C ATOM 1435 O GLU A 91 7.738 11.343 14.142 1.00 0.00 O ATOM 1436 CB GLU A 91 5.216 8.714 14.386 1.00 0.00 C ATOM 1437 CG GLU A 91 5.740 7.761 15.476 1.00 0.00 C ATOM 1438 CD GLU A 91 5.006 8.015 16.795 1.00 0.00 C ATOM 1439 OE1 GLU A 91 4.250 8.968 16.859 1.00 0.00 O ATOM 1440 OE2 GLU A 91 5.226 7.257 17.726 1.00 0.00 O ATOM 0 H GLU A 91 4.178 10.685 13.264 1.00 0.00 H new ATOM 0 HA GLU A 91 5.677 10.369 15.698 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.126 8.705 14.379 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.544 8.370 13.405 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.597 6.726 15.165 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.811 7.907 15.613 1.00 0.00 H new ATOM 1447 N ALA A 92 7.812 9.162 13.901 1.00 0.00 N ATOM 1448 CA ALA A 92 9.251 9.184 13.516 1.00 0.00 C ATOM 1449 C ALA A 92 9.506 10.129 12.340 1.00 0.00 C ATOM 1450 O ALA A 92 10.629 10.290 11.914 1.00 0.00 O ATOM 1451 CB ALA A 92 9.686 7.773 13.131 1.00 0.00 C ATOM 0 H ALA A 92 7.388 8.234 13.921 1.00 0.00 H new ATOM 0 HA ALA A 92 9.826 9.544 14.369 1.00 0.00 H new ATOM 0 HB1 ALA A 92 10.739 7.781 12.848 1.00 0.00 H new ATOM 0 HB2 ALA A 92 9.544 7.104 13.980 1.00 0.00 H new ATOM 0 HB3 ALA A 92 9.087 7.424 12.290 1.00 0.00 H new ATOM 1457 N GLY A 93 8.485 10.749 11.797 1.00 0.00 N ATOM 1458 CA GLY A 93 8.703 11.669 10.640 1.00 0.00 C ATOM 1459 C GLY A 93 8.613 10.863 9.346 1.00 0.00 C ATOM 1460 O GLY A 93 9.234 11.195 8.359 1.00 0.00 O ATOM 0 H GLY A 93 7.517 10.657 12.104 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.956 12.463 10.643 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.678 12.149 10.718 1.00 0.00 H new ATOM 1464 N LYS A 94 7.840 9.802 9.359 1.00 0.00 N ATOM 1465 CA LYS A 94 7.696 8.950 8.139 1.00 0.00 C ATOM 1466 C LYS A 94 6.236 8.903 7.718 1.00 0.00 C ATOM 1467 O LYS A 94 5.339 9.037 8.525 1.00 0.00 O ATOM 1468 CB LYS A 94 8.130 7.511 8.432 1.00 0.00 C ATOM 1469 CG LYS A 94 9.567 7.477 8.960 1.00 0.00 C ATOM 1470 CD LYS A 94 10.078 6.017 9.018 1.00 0.00 C ATOM 1471 CE LYS A 94 9.668 5.370 10.345 1.00 0.00 C ATOM 1472 NZ LYS A 94 9.829 3.887 10.267 1.00 0.00 N ATOM 0 H LYS A 94 7.301 9.490 10.167 1.00 0.00 H new ATOM 0 HA LYS A 94 8.319 9.380 7.355 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.457 7.065 9.164 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.056 6.912 7.525 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.214 8.072 8.315 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.609 7.925 9.953 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.669 5.447 8.184 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.163 5.998 8.915 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.279 5.767 11.156 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.632 5.619 10.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.548 3.459 11.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.228 3.512 9.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.823 3.656 10.069 1.00 0.00 H new ATOM 1486 N VAL A 95 5.999 8.679 6.458 1.00 0.00 N ATOM 1487 CA VAL A 95 4.606 8.586 5.947 1.00 0.00 C ATOM 1488 C VAL A 95 4.433 7.198 5.354 1.00 0.00 C ATOM 1489 O VAL A 95 5.127 6.826 4.426 1.00 0.00 O ATOM 1490 CB VAL A 95 4.421 9.613 4.833 1.00 0.00 C ATOM 1491 CG1 VAL A 95 3.008 9.484 4.242 1.00 0.00 C ATOM 1492 CG2 VAL A 95 4.609 11.030 5.390 1.00 0.00 C ATOM 0 H VAL A 95 6.723 8.555 5.750 1.00 0.00 H new ATOM 0 HA VAL A 95 3.885 8.769 6.744 1.00 0.00 H new ATOM 0 HB VAL A 95 5.163 9.430 4.055 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.878 10.218 3.447 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.874 8.481 3.836 1.00 0.00 H new ATOM 0 HG13 VAL A 95 2.269 9.661 5.024 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.475 11.757 4.589 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.873 11.214 6.173 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.612 11.128 5.805 1.00 0.00 H new ATOM 1502 N TYR A 96 3.516 6.420 5.866 1.00 0.00 N ATOM 1503 CA TYR A 96 3.304 5.047 5.314 1.00 0.00 C ATOM 1504 C TYR A 96 1.830 4.703 5.303 1.00 0.00 C ATOM 1505 O TYR A 96 1.026 5.324 5.967 1.00 0.00 O ATOM 1506 CB TYR A 96 4.064 4.032 6.159 1.00 0.00 C ATOM 1507 CG TYR A 96 3.447 3.885 7.524 1.00 0.00 C ATOM 1508 CD1 TYR A 96 3.820 4.754 8.553 1.00 0.00 C ATOM 1509 CD2 TYR A 96 2.531 2.848 7.775 1.00 0.00 C ATOM 1510 CE1 TYR A 96 3.279 4.604 9.831 1.00 0.00 C ATOM 1511 CE2 TYR A 96 1.993 2.683 9.051 1.00 0.00 C ATOM 1512 CZ TYR A 96 2.360 3.561 10.084 1.00 0.00 C ATOM 1513 OH TYR A 96 1.833 3.403 11.355 1.00 0.00 O ATOM 0 H TYR A 96 2.905 6.674 6.642 1.00 0.00 H new ATOM 0 HA TYR A 96 3.676 5.019 4.290 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.069 3.066 5.654 1.00 0.00 H new ATOM 0 HB3 TYR A 96 5.103 4.345 6.259 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.530 5.545 8.359 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.244 2.178 6.978 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.562 5.282 10.623 1.00 0.00 H new ATOM 0 HE2 TYR A 96 1.295 1.882 9.244 1.00 0.00 H new ATOM 0 HH TYR A 96 1.217 2.641 11.361 1.00 0.00 H new ATOM 1523 N LEU A 97 1.455 3.709 4.535 1.00 0.00 N ATOM 1524 CA LEU A 97 0.029 3.312 4.454 1.00 0.00 C ATOM 1525 C LEU A 97 -0.082 1.784 4.491 1.00 0.00 C ATOM 1526 O LEU A 97 0.833 1.065 4.091 1.00 0.00 O ATOM 1527 CB LEU A 97 -0.590 3.883 3.171 1.00 0.00 C ATOM 1528 CG LEU A 97 0.405 3.780 1.982 1.00 0.00 C ATOM 1529 CD1 LEU A 97 -0.343 4.073 0.678 1.00 0.00 C ATOM 1530 CD2 LEU A 97 1.580 4.792 2.143 1.00 0.00 C ATOM 0 H LEU A 97 2.088 3.155 3.958 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.518 3.714 5.307 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.506 3.342 2.932 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.868 4.925 3.329 1.00 0.00 H new ATOM 0 HG LEU A 97 0.822 2.773 1.963 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.348 4.003 -0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.146 3.348 0.548 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.764 5.077 0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.260 4.697 1.297 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.184 5.807 2.178 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.119 4.580 3.067 1.00 0.00 H new ATOM 1542 N LYS A 98 -1.196 1.277 4.978 1.00 0.00 N ATOM 1543 CA LYS A 98 -1.402 -0.199 5.073 1.00 0.00 C ATOM 1544 C LYS A 98 -2.802 -0.545 4.585 1.00 0.00 C ATOM 1545 O LYS A 98 -3.744 0.190 4.807 1.00 0.00 O ATOM 1546 CB LYS A 98 -1.235 -0.646 6.539 1.00 0.00 C ATOM 1547 CG LYS A 98 -2.298 0.035 7.466 1.00 0.00 C ATOM 1548 CD LYS A 98 -3.181 -1.019 8.170 1.00 0.00 C ATOM 1549 CE LYS A 98 -2.399 -1.723 9.285 1.00 0.00 C ATOM 1550 NZ LYS A 98 -3.220 -2.842 9.825 1.00 0.00 N ATOM 0 H LYS A 98 -1.979 1.837 5.317 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.667 -0.713 4.454 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.333 -1.730 6.604 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.233 -0.395 6.886 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.794 0.648 8.213 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.925 0.703 6.875 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -4.066 -0.539 8.587 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.529 -1.753 7.443 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.453 -2.103 8.899 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.158 -1.016 10.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.695 -3.324 10.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.111 -2.466 10.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.428 -3.519 9.063 1.00 0.00 H new ATOM 1564 N ALA A 99 -2.967 -1.647 3.895 1.00 0.00 N ATOM 1565 CA ALA A 99 -4.330 -1.972 3.408 1.00 0.00 C ATOM 1566 C ALA A 99 -4.452 -3.451 3.015 1.00 0.00 C ATOM 1567 O ALA A 99 -3.538 -4.001 2.437 1.00 0.00 O ATOM 1568 CB ALA A 99 -4.616 -1.108 2.186 1.00 0.00 C ATOM 0 H ALA A 99 -2.235 -2.315 3.656 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.044 -1.778 4.208 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -5.615 -1.330 1.809 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.558 -0.055 2.463 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -3.880 -1.320 1.410 1.00 0.00 H new ATOM 1574 N PRO A 100 -5.592 -4.088 3.256 1.00 0.00 N ATOM 1575 CA PRO A 100 -5.824 -5.497 2.834 1.00 0.00 C ATOM 1576 C PRO A 100 -6.424 -5.582 1.414 1.00 0.00 C ATOM 1577 O PRO A 100 -7.611 -5.421 1.233 1.00 0.00 O ATOM 1578 CB PRO A 100 -6.848 -5.976 3.851 1.00 0.00 C ATOM 1579 CG PRO A 100 -7.715 -4.774 4.075 1.00 0.00 C ATOM 1580 CD PRO A 100 -6.778 -3.560 3.983 1.00 0.00 C ATOM 0 HA PRO A 100 -4.905 -6.082 2.801 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -7.424 -6.820 3.472 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -6.372 -6.304 4.775 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.505 -4.716 3.326 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -8.202 -4.819 5.049 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -7.243 -2.734 3.445 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -6.509 -3.185 4.971 1.00 0.00 H new ATOM 1588 N MET A 101 -5.614 -5.818 0.412 1.00 0.00 N ATOM 1589 CA MET A 101 -6.152 -5.893 -0.991 1.00 0.00 C ATOM 1590 C MET A 101 -6.367 -7.348 -1.440 1.00 0.00 C ATOM 1591 O MET A 101 -5.569 -8.218 -1.161 1.00 0.00 O ATOM 1592 CB MET A 101 -5.170 -5.228 -1.945 1.00 0.00 C ATOM 1593 CG MET A 101 -5.719 -5.309 -3.367 1.00 0.00 C ATOM 1594 SD MET A 101 -4.729 -4.260 -4.459 1.00 0.00 S ATOM 1595 CE MET A 101 -5.264 -2.648 -3.815 1.00 0.00 C ATOM 0 H MET A 101 -4.608 -5.962 0.499 1.00 0.00 H new ATOM 0 HA MET A 101 -7.114 -5.381 -1.006 1.00 0.00 H new ATOM 0 HB2 MET A 101 -5.016 -4.187 -1.660 1.00 0.00 H new ATOM 0 HB3 MET A 101 -4.199 -5.721 -1.888 1.00 0.00 H new ATOM 0 HG2 MET A 101 -5.697 -6.341 -3.718 1.00 0.00 H new ATOM 0 HG3 MET A 101 -6.761 -4.989 -3.384 1.00 0.00 H new ATOM 0 HE1 MET A 101 -5.415 -1.957 -4.644 1.00 0.00 H new ATOM 0 HE2 MET A 101 -6.199 -2.767 -3.267 1.00 0.00 H new ATOM 0 HE3 MET A 101 -4.500 -2.251 -3.147 1.00 0.00 H new ATOM 1605 N ILE A 102 -7.440 -7.609 -2.157 1.00 0.00 N ATOM 1606 CA ILE A 102 -7.705 -8.995 -2.654 1.00 0.00 C ATOM 1607 C ILE A 102 -7.223 -9.164 -4.096 1.00 0.00 C ATOM 1608 O ILE A 102 -7.530 -8.394 -4.985 1.00 0.00 O ATOM 1609 CB ILE A 102 -9.207 -9.350 -2.535 1.00 0.00 C ATOM 1610 CG1 ILE A 102 -10.076 -8.147 -2.936 1.00 0.00 C ATOM 1611 CG2 ILE A 102 -9.524 -9.775 -1.101 1.00 0.00 C ATOM 1612 CD1 ILE A 102 -11.571 -8.460 -2.724 1.00 0.00 C ATOM 0 H ILE A 102 -8.143 -6.917 -2.418 1.00 0.00 H new ATOM 0 HA ILE A 102 -7.142 -9.686 -2.026 1.00 0.00 H new ATOM 0 HB ILE A 102 -9.429 -10.176 -3.211 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -9.794 -7.276 -2.345 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -9.897 -7.895 -3.981 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -10.582 -10.024 -1.021 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -8.925 -10.647 -0.839 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -9.291 -8.957 -0.419 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -12.168 -7.596 -3.014 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -11.853 -9.317 -3.335 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -11.749 -8.689 -1.673 1.00 0.00 H new ATOM 1624 N LEU A 103 -6.478 -10.210 -4.307 1.00 0.00 N ATOM 1625 CA LEU A 103 -5.942 -10.543 -5.651 1.00 0.00 C ATOM 1626 C LEU A 103 -6.746 -11.742 -6.149 1.00 0.00 C ATOM 1627 O LEU A 103 -7.683 -12.158 -5.496 1.00 0.00 O ATOM 1628 CB LEU A 103 -4.472 -10.928 -5.535 1.00 0.00 C ATOM 1629 CG LEU A 103 -3.713 -9.864 -4.732 1.00 0.00 C ATOM 1630 CD1 LEU A 103 -2.243 -10.255 -4.696 1.00 0.00 C ATOM 1631 CD2 LEU A 103 -3.864 -8.482 -5.397 1.00 0.00 C ATOM 0 H LEU A 103 -6.210 -10.870 -3.576 1.00 0.00 H new ATOM 0 HA LEU A 103 -6.022 -9.696 -6.333 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -4.379 -11.898 -5.047 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.034 -11.027 -6.528 1.00 0.00 H new ATOM 0 HG LEU A 103 -4.118 -9.806 -3.722 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.683 -9.512 -4.129 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.137 -11.230 -4.220 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.855 -10.304 -5.713 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.320 -7.737 -4.816 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -3.460 -8.519 -6.409 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -4.919 -8.211 -5.437 1.00 0.00 H new ATOM 1643 N ASN A 104 -6.431 -12.282 -7.292 1.00 0.00 N ATOM 1644 CA ASN A 104 -7.229 -13.436 -7.786 1.00 0.00 C ATOM 1645 C ASN A 104 -7.010 -14.629 -6.854 1.00 0.00 C ATOM 1646 O ASN A 104 -6.447 -15.639 -7.225 1.00 0.00 O ATOM 1647 CB ASN A 104 -6.798 -13.794 -9.209 1.00 0.00 C ATOM 1648 CG ASN A 104 -7.899 -14.606 -9.883 1.00 0.00 C ATOM 1649 OD1 ASN A 104 -8.961 -14.087 -10.161 1.00 0.00 O ATOM 1650 ND2 ASN A 104 -7.701 -15.868 -10.150 1.00 0.00 N ATOM 0 H ASN A 104 -5.668 -11.980 -7.897 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.287 -13.174 -7.798 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.599 -12.887 -9.780 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -5.871 -14.366 -9.187 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -8.438 -16.418 -10.592 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -6.809 -16.305 -9.917 1.00 0.00 H new ATOM 1657 N GLY A 105 -7.456 -14.495 -5.640 1.00 0.00 N ATOM 1658 CA GLY A 105 -7.293 -15.583 -4.638 1.00 0.00 C ATOM 1659 C GLY A 105 -8.018 -15.170 -3.355 1.00 0.00 C ATOM 1660 O GLY A 105 -9.176 -15.462 -3.156 1.00 0.00 O ATOM 0 H GLY A 105 -7.935 -13.664 -5.293 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.704 -16.517 -5.022 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.236 -15.758 -4.437 1.00 0.00 H new ATOM 1664 N VAL A 106 -7.319 -14.474 -2.504 1.00 0.00 N ATOM 1665 CA VAL A 106 -7.914 -13.991 -1.223 1.00 0.00 C ATOM 1666 C VAL A 106 -7.152 -12.736 -0.796 1.00 0.00 C ATOM 1667 O VAL A 106 -6.305 -12.244 -1.516 1.00 0.00 O ATOM 1668 CB VAL A 106 -7.846 -15.067 -0.108 1.00 0.00 C ATOM 1669 CG1 VAL A 106 -9.165 -15.088 0.684 1.00 0.00 C ATOM 1670 CG2 VAL A 106 -7.621 -16.452 -0.727 1.00 0.00 C ATOM 0 H VAL A 106 -6.343 -14.214 -2.643 1.00 0.00 H new ATOM 0 HA VAL A 106 -8.970 -13.770 -1.380 1.00 0.00 H new ATOM 0 HB VAL A 106 -7.019 -14.822 0.558 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -9.108 -15.846 1.465 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -9.332 -14.111 1.138 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.990 -15.321 0.011 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.575 -17.201 0.064 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.444 -16.687 -1.402 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -6.684 -16.454 -1.284 1.00 0.00 H new ATOM 1680 N CYS A 107 -7.465 -12.193 0.346 1.00 0.00 N ATOM 1681 CA CYS A 107 -6.780 -10.941 0.791 1.00 0.00 C ATOM 1682 C CYS A 107 -5.337 -11.183 1.244 1.00 0.00 C ATOM 1683 O CYS A 107 -4.996 -12.172 1.853 1.00 0.00 O ATOM 1684 CB CYS A 107 -7.570 -10.307 1.929 1.00 0.00 C ATOM 1685 SG CYS A 107 -8.142 -11.603 3.022 1.00 0.00 S ATOM 0 H CYS A 107 -8.164 -12.559 0.992 1.00 0.00 H new ATOM 0 HA CYS A 107 -6.740 -10.272 -0.069 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -6.945 -9.601 2.475 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -8.416 -9.745 1.534 1.00 0.00 H new ATOM 0 HG CYS A 107 -9.368 -11.360 3.378 1.00 0.00 H new ATOM 1691 N VAL A 108 -4.521 -10.206 0.967 1.00 0.00 N ATOM 1692 CA VAL A 108 -3.087 -10.213 1.372 1.00 0.00 C ATOM 1693 C VAL A 108 -2.857 -8.850 2.040 1.00 0.00 C ATOM 1694 O VAL A 108 -3.551 -7.898 1.734 1.00 0.00 O ATOM 1695 CB VAL A 108 -2.212 -10.405 0.122 1.00 0.00 C ATOM 1696 CG1 VAL A 108 -2.315 -9.172 -0.771 1.00 0.00 C ATOM 1697 CG2 VAL A 108 -0.753 -10.672 0.531 1.00 0.00 C ATOM 0 H VAL A 108 -4.801 -9.369 0.456 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.830 -11.022 2.056 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.567 -11.269 -0.440 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.694 -9.311 -1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.352 -9.028 -1.074 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.973 -8.295 -0.221 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.143 -10.806 -0.363 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.375 -9.825 1.104 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.705 -11.574 1.141 1.00 0.00 H new ATOM 1707 N ILE A 109 -1.955 -8.744 2.983 1.00 0.00 N ATOM 1708 CA ILE A 109 -1.779 -7.430 3.696 1.00 0.00 C ATOM 1709 C ILE A 109 -0.513 -6.701 3.222 1.00 0.00 C ATOM 1710 O ILE A 109 0.592 -7.172 3.386 1.00 0.00 O ATOM 1711 CB ILE A 109 -1.677 -7.742 5.203 1.00 0.00 C ATOM 1712 CG1 ILE A 109 -1.885 -6.463 6.022 1.00 0.00 C ATOM 1713 CG2 ILE A 109 -0.313 -8.357 5.544 1.00 0.00 C ATOM 1714 CD1 ILE A 109 -1.815 -6.797 7.519 1.00 0.00 C ATOM 0 H ILE A 109 -1.338 -9.496 3.291 1.00 0.00 H new ATOM 0 HA ILE A 109 -2.623 -6.774 3.483 1.00 0.00 H new ATOM 0 HB ILE A 109 -2.456 -8.463 5.453 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -1.123 -5.727 5.767 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -2.851 -6.018 5.782 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -0.266 -8.568 6.612 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -0.182 -9.284 4.985 1.00 0.00 H new ATOM 0 HG23 ILE A 109 0.479 -7.657 5.277 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -1.963 -5.888 8.102 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -2.594 -7.518 7.768 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.839 -7.222 7.752 1.00 0.00 H new ATOM 1726 N TRP A 110 -0.683 -5.530 2.653 1.00 0.00 N ATOM 1727 CA TRP A 110 0.482 -4.726 2.164 1.00 0.00 C ATOM 1728 C TRP A 110 0.635 -3.487 3.045 1.00 0.00 C ATOM 1729 O TRP A 110 -0.318 -2.780 3.300 1.00 0.00 O ATOM 1730 CB TRP A 110 0.218 -4.315 0.714 1.00 0.00 C ATOM 1731 CG TRP A 110 1.455 -3.761 0.094 1.00 0.00 C ATOM 1732 CD1 TRP A 110 2.359 -4.492 -0.595 1.00 0.00 C ATOM 1733 CD2 TRP A 110 1.932 -2.395 0.091 1.00 0.00 C ATOM 1734 NE1 TRP A 110 3.358 -3.648 -1.043 1.00 0.00 N ATOM 1735 CE2 TRP A 110 3.143 -2.344 -0.641 1.00 0.00 C ATOM 1736 CE3 TRP A 110 1.428 -1.199 0.630 1.00 0.00 C ATOM 1737 CZ2 TRP A 110 3.836 -1.148 -0.804 1.00 0.00 C ATOM 1738 CZ3 TRP A 110 2.128 0.002 0.464 1.00 0.00 C ATOM 1739 CH2 TRP A 110 3.321 0.030 -0.256 1.00 0.00 C ATOM 0 H TRP A 110 -1.592 -5.092 2.505 1.00 0.00 H new ATOM 0 HA TRP A 110 1.400 -5.312 2.212 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.127 -5.177 0.143 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.577 -3.571 0.680 1.00 0.00 H new ATOM 0 HD1 TRP A 110 2.309 -5.557 -0.767 1.00 0.00 H new ATOM 0 HE1 TRP A 110 4.156 -3.951 -1.602 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.496 -1.206 1.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.767 -1.130 -1.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 1.741 0.913 0.897 1.00 0.00 H new ATOM 0 HH2 TRP A 110 3.848 0.963 -0.391 1.00 0.00 H new ATOM 1750 N LYS A 111 1.822 -3.219 3.505 1.00 0.00 N ATOM 1751 CA LYS A 111 2.038 -2.013 4.371 1.00 0.00 C ATOM 1752 C LYS A 111 3.433 -1.477 4.155 1.00 0.00 C ATOM 1753 O LYS A 111 4.327 -1.642 4.961 1.00 0.00 O ATOM 1754 CB LYS A 111 1.812 -2.376 5.846 1.00 0.00 C ATOM 1755 CG LYS A 111 2.518 -3.689 6.173 1.00 0.00 C ATOM 1756 CD LYS A 111 2.280 -4.055 7.644 1.00 0.00 C ATOM 1757 CE LYS A 111 3.227 -5.182 8.055 1.00 0.00 C ATOM 1758 NZ LYS A 111 3.231 -6.241 7.012 1.00 0.00 N ATOM 0 H LYS A 111 2.656 -3.778 3.323 1.00 0.00 H new ATOM 0 HA LYS A 111 1.322 -1.238 4.099 1.00 0.00 H new ATOM 0 HB2 LYS A 111 2.191 -1.580 6.487 1.00 0.00 H new ATOM 0 HB3 LYS A 111 0.745 -2.467 6.048 1.00 0.00 H new ATOM 0 HG2 LYS A 111 2.146 -4.484 5.526 1.00 0.00 H new ATOM 0 HG3 LYS A 111 3.587 -3.596 5.980 1.00 0.00 H new ATOM 0 HD2 LYS A 111 2.442 -3.182 8.277 1.00 0.00 H new ATOM 0 HD3 LYS A 111 1.245 -4.366 7.788 1.00 0.00 H new ATOM 0 HE2 LYS A 111 4.235 -4.791 8.193 1.00 0.00 H new ATOM 0 HE3 LYS A 111 2.915 -5.602 9.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 3.585 -7.129 7.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 2.263 -6.384 6.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 3.848 -5.952 6.226 1.00 0.00 H new ATOM 1772 N GLY A 112 3.613 -0.823 3.057 1.00 0.00 N ATOM 1773 CA GLY A 112 4.940 -0.245 2.738 1.00 0.00 C ATOM 1774 C GLY A 112 5.130 1.076 3.467 1.00 0.00 C ATOM 1775 O GLY A 112 4.171 1.764 3.767 1.00 0.00 O ATOM 0 H GLY A 112 2.891 -0.660 2.355 1.00 0.00 H new ATOM 0 HA2 GLY A 112 5.727 -0.943 3.025 1.00 0.00 H new ATOM 0 HA3 GLY A 112 5.028 -0.090 1.663 1.00 0.00 H new ATOM 1779 N TRP A 113 6.362 1.464 3.711 1.00 0.00 N ATOM 1780 CA TRP A 113 6.628 2.775 4.378 1.00 0.00 C ATOM 1781 C TRP A 113 7.800 3.481 3.696 1.00 0.00 C ATOM 1782 O TRP A 113 8.597 2.876 3.007 1.00 0.00 O ATOM 1783 CB TRP A 113 6.933 2.586 5.874 1.00 0.00 C ATOM 1784 CG TRP A 113 8.016 1.592 6.082 1.00 0.00 C ATOM 1785 CD1 TRP A 113 7.821 0.309 6.455 1.00 0.00 C ATOM 1786 CD2 TRP A 113 9.452 1.778 5.968 1.00 0.00 C ATOM 1787 NE1 TRP A 113 9.046 -0.316 6.564 1.00 0.00 N ATOM 1788 CE2 TRP A 113 10.086 0.555 6.277 1.00 0.00 C ATOM 1789 CE3 TRP A 113 10.260 2.878 5.625 1.00 0.00 C ATOM 1790 CZ2 TRP A 113 11.477 0.427 6.254 1.00 0.00 C ATOM 1791 CZ3 TRP A 113 11.658 2.754 5.597 1.00 0.00 C ATOM 1792 CH2 TRP A 113 12.264 1.528 5.909 1.00 0.00 C ATOM 0 H TRP A 113 7.195 0.925 3.475 1.00 0.00 H new ATOM 0 HA TRP A 113 5.731 3.388 4.287 1.00 0.00 H new ATOM 0 HB2 TRP A 113 7.224 3.541 6.312 1.00 0.00 H new ATOM 0 HB3 TRP A 113 6.032 2.259 6.393 1.00 0.00 H new ATOM 0 HD1 TRP A 113 6.862 -0.153 6.638 1.00 0.00 H new ATOM 0 HE1 TRP A 113 9.171 -1.295 6.823 1.00 0.00 H new ATOM 0 HE3 TRP A 113 9.801 3.825 5.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 11.940 -0.517 6.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 12.269 3.605 5.334 1.00 0.00 H new ATOM 0 HH2 TRP A 113 13.340 1.435 5.882 1.00 0.00 H new ATOM 1803 N ILE A 114 7.888 4.764 3.882 1.00 0.00 N ATOM 1804 CA ILE A 114 8.977 5.565 3.257 1.00 0.00 C ATOM 1805 C ILE A 114 9.201 6.797 4.142 1.00 0.00 C ATOM 1806 O ILE A 114 8.266 7.301 4.736 1.00 0.00 O ATOM 1807 CB ILE A 114 8.536 6.012 1.842 1.00 0.00 C ATOM 1808 CG1 ILE A 114 7.137 6.640 1.910 1.00 0.00 C ATOM 1809 CG2 ILE A 114 8.491 4.826 0.868 1.00 0.00 C ATOM 1810 CD1 ILE A 114 6.637 6.983 0.490 1.00 0.00 C ATOM 0 H ILE A 114 7.238 5.305 4.453 1.00 0.00 H new ATOM 0 HA ILE A 114 9.893 4.981 3.170 1.00 0.00 H new ATOM 0 HB ILE A 114 9.265 6.737 1.482 1.00 0.00 H new ATOM 0 HG12 ILE A 114 6.444 5.950 2.391 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.165 7.542 2.522 1.00 0.00 H new ATOM 0 HG21 ILE A 114 8.178 5.175 -0.116 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.482 4.377 0.795 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.782 4.083 1.232 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.644 7.428 0.552 1.00 0.00 H new ATOM 0 HD12 ILE A 114 7.323 7.690 0.024 1.00 0.00 H new ATOM 0 HD13 ILE A 114 6.591 6.074 -0.109 1.00 0.00 H new ATOM 1822 N ASP A 115 10.404 7.293 4.257 1.00 0.00 N ATOM 1823 CA ASP A 115 10.616 8.489 5.123 1.00 0.00 C ATOM 1824 C ASP A 115 10.123 9.737 4.392 1.00 0.00 C ATOM 1825 O ASP A 115 9.765 9.698 3.233 1.00 0.00 O ATOM 1826 CB ASP A 115 12.095 8.633 5.481 1.00 0.00 C ATOM 1827 CG ASP A 115 12.247 9.552 6.702 1.00 0.00 C ATOM 1828 OD1 ASP A 115 11.236 10.041 7.180 1.00 0.00 O ATOM 1829 OD2 ASP A 115 13.369 9.744 7.144 1.00 0.00 O ATOM 0 H ASP A 115 11.238 6.928 3.796 1.00 0.00 H new ATOM 0 HA ASP A 115 10.052 8.367 6.048 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.524 7.654 5.695 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.645 9.044 4.634 1.00 0.00 H new ATOM 1834 N LEU A 116 10.052 10.828 5.086 1.00 0.00 N ATOM 1835 CA LEU A 116 9.528 12.076 4.478 1.00 0.00 C ATOM 1836 C LEU A 116 10.464 12.614 3.380 1.00 0.00 C ATOM 1837 O LEU A 116 10.017 13.304 2.485 1.00 0.00 O ATOM 1838 CB LEU A 116 9.354 13.116 5.597 1.00 0.00 C ATOM 1839 CG LEU A 116 8.278 14.166 5.228 1.00 0.00 C ATOM 1840 CD1 LEU A 116 7.781 14.842 6.517 1.00 0.00 C ATOM 1841 CD2 LEU A 116 8.837 15.235 4.258 1.00 0.00 C ATOM 0 H LEU A 116 10.338 10.912 6.062 1.00 0.00 H new ATOM 0 HA LEU A 116 8.571 11.868 3.999 1.00 0.00 H new ATOM 0 HB2 LEU A 116 9.072 12.614 6.522 1.00 0.00 H new ATOM 0 HB3 LEU A 116 10.305 13.616 5.782 1.00 0.00 H new ATOM 0 HG LEU A 116 7.456 13.659 4.723 1.00 0.00 H new ATOM 0 HD11 LEU A 116 7.022 15.584 6.269 1.00 0.00 H new ATOM 0 HD12 LEU A 116 7.351 14.091 7.179 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.617 15.331 7.017 1.00 0.00 H new ATOM 0 HD21 LEU A 116 8.054 15.956 4.021 1.00 0.00 H new ATOM 0 HD22 LEU A 116 9.674 15.750 4.728 1.00 0.00 H new ATOM 0 HD23 LEU A 116 9.176 14.753 3.341 1.00 0.00 H new ATOM 1853 N HIS A 117 11.749 12.333 3.432 1.00 0.00 N ATOM 1854 CA HIS A 117 12.678 12.868 2.376 1.00 0.00 C ATOM 1855 C HIS A 117 13.034 11.794 1.338 1.00 0.00 C ATOM 1856 O HIS A 117 12.854 12.003 0.152 1.00 0.00 O ATOM 1857 CB HIS A 117 13.951 13.395 3.041 1.00 0.00 C ATOM 1858 CG HIS A 117 14.751 12.248 3.611 1.00 0.00 C ATOM 1859 ND1 HIS A 117 16.059 11.994 3.218 1.00 0.00 N ATOM 1860 CD2 HIS A 117 14.437 11.279 4.533 1.00 0.00 C ATOM 1861 CE1 HIS A 117 16.478 10.910 3.901 1.00 0.00 C ATOM 1862 NE2 HIS A 117 15.529 10.436 4.713 1.00 0.00 N ATOM 0 H HIS A 117 12.192 11.762 4.152 1.00 0.00 H new ATOM 0 HA HIS A 117 12.169 13.677 1.852 1.00 0.00 H new ATOM 0 HB2 HIS A 117 14.551 13.941 2.314 1.00 0.00 H new ATOM 0 HB3 HIS A 117 13.693 14.098 3.833 1.00 0.00 H new ATOM 0 HD2 HIS A 117 13.488 11.186 5.040 1.00 0.00 H new ATOM 0 HE1 HIS A 117 17.463 10.477 3.803 1.00 0.00 H new ATOM 0 HE2 HIS A 117 15.592 9.628 5.333 1.00 0.00 H new ATOM 1870 N ARG A 118 13.552 10.656 1.740 1.00 0.00 N ATOM 1871 CA ARG A 118 13.924 9.616 0.716 1.00 0.00 C ATOM 1872 C ARG A 118 12.752 8.667 0.445 1.00 0.00 C ATOM 1873 O ARG A 118 12.280 7.968 1.316 1.00 0.00 O ATOM 1874 CB ARG A 118 15.146 8.823 1.204 1.00 0.00 C ATOM 1875 CG ARG A 118 14.785 7.934 2.405 1.00 0.00 C ATOM 1876 CD ARG A 118 16.073 7.449 3.076 1.00 0.00 C ATOM 1877 NE ARG A 118 16.802 6.561 2.127 1.00 0.00 N ATOM 1878 CZ ARG A 118 18.043 6.224 2.361 1.00 0.00 C ATOM 1879 NH1 ARG A 118 18.649 6.659 3.437 1.00 0.00 N ATOM 1880 NH2 ARG A 118 18.683 5.455 1.523 1.00 0.00 N ATOM 0 H ARG A 118 13.732 10.402 2.711 1.00 0.00 H new ATOM 0 HA ARG A 118 14.170 10.122 -0.217 1.00 0.00 H new ATOM 0 HB2 ARG A 118 15.530 8.205 0.392 1.00 0.00 H new ATOM 0 HB3 ARG A 118 15.943 9.512 1.484 1.00 0.00 H new ATOM 0 HG2 ARG A 118 14.178 8.493 3.117 1.00 0.00 H new ATOM 0 HG3 ARG A 118 14.189 7.083 2.077 1.00 0.00 H new ATOM 0 HD2 ARG A 118 16.697 8.298 3.354 1.00 0.00 H new ATOM 0 HD3 ARG A 118 15.841 6.910 3.995 1.00 0.00 H new ATOM 0 HE ARG A 118 16.331 6.215 1.291 1.00 0.00 H new ATOM 0 HH11 ARG A 118 18.153 7.261 4.094 1.00 0.00 H new ATOM 0 HH12 ARG A 118 19.617 6.395 3.619 1.00 0.00 H new ATOM 0 HH21 ARG A 118 18.215 5.115 0.683 1.00 0.00 H new ATOM 0 HH22 ARG A 118 19.651 5.194 1.708 1.00 0.00 H new ATOM 1894 N LEU A 119 12.281 8.630 -0.779 1.00 0.00 N ATOM 1895 CA LEU A 119 11.158 7.708 -1.128 1.00 0.00 C ATOM 1896 C LEU A 119 11.702 6.338 -1.567 1.00 0.00 C ATOM 1897 O LEU A 119 11.300 5.810 -2.582 1.00 0.00 O ATOM 1898 CB LEU A 119 10.307 8.314 -2.259 1.00 0.00 C ATOM 1899 CG LEU A 119 9.923 9.760 -1.921 1.00 0.00 C ATOM 1900 CD1 LEU A 119 8.848 10.215 -2.913 1.00 0.00 C ATOM 1901 CD2 LEU A 119 9.372 9.854 -0.493 1.00 0.00 C ATOM 0 H LEU A 119 12.627 9.200 -1.551 1.00 0.00 H new ATOM 0 HA LEU A 119 10.536 7.573 -0.243 1.00 0.00 H new ATOM 0 HB2 LEU A 119 10.864 8.288 -3.196 1.00 0.00 H new ATOM 0 HB3 LEU A 119 9.407 7.717 -2.406 1.00 0.00 H new ATOM 0 HG LEU A 119 10.805 10.396 -1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 119 8.559 11.242 -2.691 1.00 0.00 H new ATOM 0 HD12 LEU A 119 9.243 10.160 -3.928 1.00 0.00 H new ATOM 0 HD13 LEU A 119 7.976 9.567 -2.827 1.00 0.00 H new ATOM 0 HD21 LEU A 119 9.106 10.888 -0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 119 8.487 9.224 -0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 119 10.131 9.517 0.213 1.00 0.00 H new ATOM 1913 N ASP A 120 12.612 5.766 -0.813 1.00 0.00 N ATOM 1914 CA ASP A 120 13.189 4.419 -1.171 1.00 0.00 C ATOM 1915 C ASP A 120 13.128 3.519 0.077 1.00 0.00 C ATOM 1916 O ASP A 120 14.084 2.858 0.437 1.00 0.00 O ATOM 1917 CB ASP A 120 14.643 4.596 -1.630 1.00 0.00 C ATOM 1918 CG ASP A 120 15.444 5.273 -0.514 1.00 0.00 C ATOM 1919 OD1 ASP A 120 14.948 5.318 0.598 1.00 0.00 O ATOM 1920 OD2 ASP A 120 16.529 5.757 -0.795 1.00 0.00 O ATOM 0 H ASP A 120 12.986 6.175 0.044 1.00 0.00 H new ATOM 0 HA ASP A 120 12.621 3.961 -1.981 1.00 0.00 H new ATOM 0 HB2 ASP A 120 15.081 3.628 -1.872 1.00 0.00 H new ATOM 0 HB3 ASP A 120 14.680 5.199 -2.538 1.00 0.00 H new ATOM 1925 N GLY A 121 12.006 3.540 0.737 1.00 0.00 N ATOM 1926 CA GLY A 121 11.810 2.743 1.994 1.00 0.00 C ATOM 1927 C GLY A 121 11.828 1.240 1.733 1.00 0.00 C ATOM 1928 O GLY A 121 12.480 0.742 0.835 1.00 0.00 O ATOM 0 H GLY A 121 11.193 4.088 0.456 1.00 0.00 H new ATOM 0 HA2 GLY A 121 12.594 2.995 2.708 1.00 0.00 H new ATOM 0 HA3 GLY A 121 10.860 3.019 2.453 1.00 0.00 H new ATOM 1932 N MET A 122 11.101 0.526 2.546 1.00 0.00 N ATOM 1933 CA MET A 122 11.015 -0.955 2.428 1.00 0.00 C ATOM 1934 C MET A 122 9.565 -1.342 2.687 1.00 0.00 C ATOM 1935 O MET A 122 8.840 -0.614 3.333 1.00 0.00 O ATOM 1936 CB MET A 122 11.915 -1.588 3.497 1.00 0.00 C ATOM 1937 CG MET A 122 12.070 -3.097 3.269 1.00 0.00 C ATOM 1938 SD MET A 122 13.381 -3.388 2.053 1.00 0.00 S ATOM 1939 CE MET A 122 14.771 -3.535 3.208 1.00 0.00 C ATOM 0 H MET A 122 10.548 0.919 3.308 1.00 0.00 H new ATOM 0 HA MET A 122 11.335 -1.297 1.444 1.00 0.00 H new ATOM 0 HB2 MET A 122 12.896 -1.112 3.479 1.00 0.00 H new ATOM 0 HB3 MET A 122 11.492 -1.408 4.485 1.00 0.00 H new ATOM 0 HG2 MET A 122 12.312 -3.595 4.208 1.00 0.00 H new ATOM 0 HG3 MET A 122 11.130 -3.521 2.916 1.00 0.00 H new ATOM 0 HE1 MET A 122 15.689 -3.719 2.651 1.00 0.00 H new ATOM 0 HE2 MET A 122 14.871 -2.610 3.776 1.00 0.00 H new ATOM 0 HE3 MET A 122 14.589 -4.364 3.892 1.00 0.00 H new ATOM 1949 N GLY A 123 9.116 -2.460 2.206 1.00 0.00 N ATOM 1950 CA GLY A 123 7.696 -2.842 2.458 1.00 0.00 C ATOM 1951 C GLY A 123 7.561 -4.359 2.419 1.00 0.00 C ATOM 1952 O GLY A 123 7.727 -4.983 1.391 1.00 0.00 O ATOM 0 H GLY A 123 9.660 -3.124 1.654 1.00 0.00 H new ATOM 0 HA2 GLY A 123 7.373 -2.463 3.428 1.00 0.00 H new ATOM 0 HA3 GLY A 123 7.048 -2.390 1.707 1.00 0.00 H new ATOM 1956 N CYS A 124 7.267 -4.955 3.544 1.00 0.00 N ATOM 1957 CA CYS A 124 7.107 -6.436 3.595 1.00 0.00 C ATOM 1958 C CYS A 124 5.679 -6.811 3.220 1.00 0.00 C ATOM 1959 O CYS A 124 4.732 -6.184 3.658 1.00 0.00 O ATOM 1960 CB CYS A 124 7.378 -6.947 5.010 1.00 0.00 C ATOM 1961 SG CYS A 124 8.964 -6.333 5.598 1.00 0.00 S ATOM 0 H CYS A 124 7.130 -4.476 4.434 1.00 0.00 H new ATOM 0 HA CYS A 124 7.814 -6.883 2.896 1.00 0.00 H new ATOM 0 HB2 CYS A 124 6.583 -6.622 5.681 1.00 0.00 H new ATOM 0 HB3 CYS A 124 7.376 -8.037 5.018 1.00 0.00 H new ATOM 0 HG CYS A 124 9.180 -6.773 6.802 1.00 0.00 H new ATOM 1967 N LEU A 125 5.508 -7.850 2.446 1.00 0.00 N ATOM 1968 CA LEU A 125 4.120 -8.306 2.073 1.00 0.00 C ATOM 1969 C LEU A 125 3.947 -9.739 2.574 1.00 0.00 C ATOM 1970 O LEU A 125 4.850 -10.550 2.467 1.00 0.00 O ATOM 1971 CB LEU A 125 3.947 -8.204 0.558 1.00 0.00 C ATOM 1972 CG LEU A 125 2.628 -8.860 0.104 1.00 0.00 C ATOM 1973 CD1 LEU A 125 1.439 -8.160 0.784 1.00 0.00 C ATOM 1974 CD2 LEU A 125 2.498 -8.731 -1.418 1.00 0.00 C ATOM 0 H LEU A 125 6.265 -8.408 2.052 1.00 0.00 H new ATOM 0 HA LEU A 125 3.355 -7.679 2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 125 3.958 -7.156 0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.787 -8.687 0.060 1.00 0.00 H new ATOM 0 HG LEU A 125 2.630 -9.913 0.384 1.00 0.00 H new ATOM 0 HD11 LEU A 125 0.509 -8.627 0.460 1.00 0.00 H new ATOM 0 HD12 LEU A 125 1.534 -8.251 1.866 1.00 0.00 H new ATOM 0 HD13 LEU A 125 1.431 -7.106 0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 125 1.566 -9.194 -1.744 1.00 0.00 H new ATOM 0 HD22 LEU A 125 2.496 -7.677 -1.695 1.00 0.00 H new ATOM 0 HD23 LEU A 125 3.339 -9.231 -1.899 1.00 0.00 H new ATOM 1986 N GLU A 126 2.816 -10.052 3.159 1.00 0.00 N ATOM 1987 CA GLU A 126 2.616 -11.440 3.709 1.00 0.00 C ATOM 1988 C GLU A 126 1.149 -11.867 3.588 1.00 0.00 C ATOM 1989 O GLU A 126 0.249 -11.166 3.988 1.00 0.00 O ATOM 1990 CB GLU A 126 3.001 -11.454 5.195 1.00 0.00 C ATOM 1991 CG GLU A 126 4.458 -11.041 5.333 1.00 0.00 C ATOM 1992 CD GLU A 126 4.901 -11.196 6.788 1.00 0.00 C ATOM 1993 OE1 GLU A 126 4.071 -11.585 7.597 1.00 0.00 O ATOM 1994 OE2 GLU A 126 6.050 -10.920 7.067 1.00 0.00 O ATOM 0 H GLU A 126 2.027 -9.417 3.281 1.00 0.00 H new ATOM 0 HA GLU A 126 3.240 -12.129 3.139 1.00 0.00 H new ATOM 0 HB2 GLU A 126 2.362 -10.772 5.756 1.00 0.00 H new ATOM 0 HB3 GLU A 126 2.851 -12.449 5.614 1.00 0.00 H new ATOM 0 HG2 GLU A 126 5.083 -11.655 4.685 1.00 0.00 H new ATOM 0 HG3 GLU A 126 4.585 -10.007 5.012 1.00 0.00 H new ATOM 2001 N PHE A 127 0.907 -13.025 3.057 1.00 0.00 N ATOM 2002 CA PHE A 127 -0.498 -13.505 2.938 1.00 0.00 C ATOM 2003 C PHE A 127 -0.941 -14.113 4.289 1.00 0.00 C ATOM 2004 O PHE A 127 -0.682 -15.266 4.562 1.00 0.00 O ATOM 2005 CB PHE A 127 -0.514 -14.551 1.807 1.00 0.00 C ATOM 2006 CG PHE A 127 -1.835 -14.545 1.082 1.00 0.00 C ATOM 2007 CD1 PHE A 127 -2.958 -15.137 1.668 1.00 0.00 C ATOM 2008 CD2 PHE A 127 -1.933 -13.962 -0.192 1.00 0.00 C ATOM 2009 CE1 PHE A 127 -4.179 -15.144 0.984 1.00 0.00 C ATOM 2010 CE2 PHE A 127 -3.152 -13.974 -0.874 1.00 0.00 C ATOM 2011 CZ PHE A 127 -4.276 -14.565 -0.286 1.00 0.00 C ATOM 0 H PHE A 127 1.618 -13.663 2.699 1.00 0.00 H new ATOM 0 HA PHE A 127 -1.193 -12.699 2.702 1.00 0.00 H new ATOM 0 HB2 PHE A 127 0.292 -14.343 1.103 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -0.327 -15.542 2.221 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -2.883 -15.588 2.646 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -1.066 -13.504 -0.644 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -5.048 -15.597 1.437 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -3.227 -13.527 -1.854 1.00 0.00 H new ATOM 0 HZ PHE A 127 -5.219 -14.574 -0.813 1.00 0.00 H new ATOM 2021 N ASP A 128 -1.592 -13.349 5.150 1.00 0.00 N ATOM 2022 CA ASP A 128 -2.012 -13.929 6.475 1.00 0.00 C ATOM 2023 C ASP A 128 -3.252 -13.201 7.035 1.00 0.00 C ATOM 2024 O ASP A 128 -3.449 -13.128 8.232 1.00 0.00 O ATOM 2025 CB ASP A 128 -0.844 -13.809 7.461 1.00 0.00 C ATOM 2026 CG ASP A 128 -1.062 -14.742 8.656 1.00 0.00 C ATOM 2027 OD1 ASP A 128 -2.076 -15.425 8.672 1.00 0.00 O ATOM 2028 OD2 ASP A 128 -0.215 -14.765 9.531 1.00 0.00 O ATOM 0 H ASP A 128 -1.845 -12.373 4.996 1.00 0.00 H new ATOM 0 HA ASP A 128 -2.278 -14.977 6.334 1.00 0.00 H new ATOM 0 HB2 ASP A 128 0.091 -14.060 6.960 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -0.754 -12.779 7.806 1.00 0.00 H new ATOM 2033 N GLU A 129 -4.075 -12.659 6.184 1.00 0.00 N ATOM 2034 CA GLU A 129 -5.284 -11.931 6.679 1.00 0.00 C ATOM 2035 C GLU A 129 -6.340 -12.900 7.244 1.00 0.00 C ATOM 2036 O GLU A 129 -6.824 -13.808 6.567 1.00 0.00 O ATOM 2037 CB GLU A 129 -5.876 -11.110 5.531 1.00 0.00 C ATOM 2038 CG GLU A 129 -4.918 -9.979 5.140 1.00 0.00 C ATOM 2039 CD GLU A 129 -4.880 -8.922 6.248 1.00 0.00 C ATOM 2040 OE1 GLU A 129 -4.158 -9.117 7.208 1.00 0.00 O ATOM 2041 OE2 GLU A 129 -5.573 -7.926 6.112 1.00 0.00 O ATOM 0 H GLU A 129 -3.967 -12.686 5.170 1.00 0.00 H new ATOM 0 HA GLU A 129 -4.983 -11.271 7.493 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -6.060 -11.754 4.671 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -6.838 -10.694 5.830 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -3.918 -10.379 4.973 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -5.241 -9.525 4.203 1.00 0.00 H new ATOM 2048 N GLU A 130 -6.728 -12.697 8.480 1.00 0.00 N ATOM 2049 CA GLU A 130 -7.764 -13.572 9.083 1.00 0.00 C ATOM 2050 C GLU A 130 -9.052 -13.431 8.273 1.00 0.00 C ATOM 2051 O GLU A 130 -9.810 -14.370 8.129 1.00 0.00 O ATOM 2052 CB GLU A 130 -7.976 -13.197 10.564 1.00 0.00 C ATOM 2053 CG GLU A 130 -8.485 -11.764 10.721 1.00 0.00 C ATOM 2054 CD GLU A 130 -7.351 -10.779 10.438 1.00 0.00 C ATOM 2055 OE1 GLU A 130 -7.130 -10.472 9.279 1.00 0.00 O ATOM 2056 OE2 GLU A 130 -6.724 -10.341 11.389 1.00 0.00 O ATOM 0 H GLU A 130 -6.369 -11.963 9.091 1.00 0.00 H new ATOM 0 HA GLU A 130 -7.446 -14.614 9.056 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -8.689 -13.887 11.015 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -7.037 -13.310 11.105 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -9.314 -11.585 10.036 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -8.867 -11.612 11.730 1.00 0.00 H new ATOM 2063 N ARG A 131 -9.284 -12.280 7.695 1.00 0.00 N ATOM 2064 CA ARG A 131 -10.495 -12.121 6.864 1.00 0.00 C ATOM 2065 C ARG A 131 -10.326 -12.990 5.613 1.00 0.00 C ATOM 2066 O ARG A 131 -11.274 -13.300 4.929 1.00 0.00 O ATOM 2067 CB ARG A 131 -10.750 -10.641 6.513 1.00 0.00 C ATOM 2068 CG ARG A 131 -9.455 -9.950 6.081 1.00 0.00 C ATOM 2069 CD ARG A 131 -9.761 -8.486 5.733 1.00 0.00 C ATOM 2070 NE ARG A 131 -10.322 -7.813 6.944 1.00 0.00 N ATOM 2071 CZ ARG A 131 -10.488 -6.517 6.972 1.00 0.00 C ATOM 2072 NH1 ARG A 131 -10.250 -5.807 5.904 1.00 0.00 N ATOM 2073 NH2 ARG A 131 -10.906 -5.932 8.068 1.00 0.00 N ATOM 0 H ARG A 131 -8.688 -11.455 7.767 1.00 0.00 H new ATOM 0 HA ARG A 131 -11.375 -12.449 7.418 1.00 0.00 H new ATOM 0 HB2 ARG A 131 -11.486 -10.575 5.712 1.00 0.00 H new ATOM 0 HB3 ARG A 131 -11.171 -10.126 7.376 1.00 0.00 H new ATOM 0 HG2 ARG A 131 -8.717 -10.000 6.881 1.00 0.00 H new ATOM 0 HG3 ARG A 131 -9.026 -10.460 5.219 1.00 0.00 H new ATOM 0 HD2 ARG A 131 -8.854 -7.978 5.404 1.00 0.00 H new ATOM 0 HD3 ARG A 131 -10.472 -8.434 4.908 1.00 0.00 H new ATOM 0 HE ARG A 131 -10.578 -8.372 7.758 1.00 0.00 H new ATOM 0 HH11 ARG A 131 -9.935 -6.263 5.048 1.00 0.00 H new ATOM 0 HH12 ARG A 131 -10.379 -4.795 5.925 1.00 0.00 H new ATOM 0 HH21 ARG A 131 -11.102 -6.488 8.900 1.00 0.00 H new ATOM 0 HH22 ARG A 131 -11.035 -4.920 8.089 1.00 0.00 H new ATOM 2087 N ALA A 132 -9.123 -13.430 5.326 1.00 0.00 N ATOM 2088 CA ALA A 132 -8.919 -14.321 4.142 1.00 0.00 C ATOM 2089 C ALA A 132 -9.620 -15.645 4.377 1.00 0.00 C ATOM 2090 O ALA A 132 -10.283 -16.169 3.504 1.00 0.00 O ATOM 2091 CB ALA A 132 -7.425 -14.614 3.948 1.00 0.00 C ATOM 0 H ALA A 132 -8.280 -13.212 5.857 1.00 0.00 H new ATOM 0 HA ALA A 132 -9.321 -13.819 3.262 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -7.291 -15.263 3.083 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -6.889 -13.679 3.786 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -7.033 -15.108 4.837 1.00 0.00 H new ATOM 2097 N GLN A 133 -9.457 -16.220 5.528 1.00 0.00 N ATOM 2098 CA GLN A 133 -10.120 -17.547 5.741 1.00 0.00 C ATOM 2099 C GLN A 133 -11.645 -17.389 5.693 1.00 0.00 C ATOM 2100 O GLN A 133 -12.341 -18.121 5.005 1.00 0.00 O ATOM 2101 CB GLN A 133 -9.673 -18.170 7.084 1.00 0.00 C ATOM 2102 CG GLN A 133 -10.494 -17.619 8.258 1.00 0.00 C ATOM 2103 CD GLN A 133 -9.819 -18.006 9.573 1.00 0.00 C ATOM 2104 OE1 GLN A 133 -8.628 -17.826 9.737 1.00 0.00 O ATOM 2105 NE2 GLN A 133 -10.529 -18.542 10.526 1.00 0.00 N ATOM 0 H GLN A 133 -8.916 -15.853 6.311 1.00 0.00 H new ATOM 0 HA GLN A 133 -9.817 -18.222 4.940 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -9.782 -19.254 7.038 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -8.616 -17.963 7.249 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -10.575 -16.535 8.183 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -11.508 -18.017 8.226 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -11.529 -18.695 10.393 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -10.085 -18.808 11.405 1.00 0.00 H new ATOM 2114 N GLN A 134 -12.193 -16.448 6.406 1.00 0.00 N ATOM 2115 CA GLN A 134 -13.674 -16.298 6.367 1.00 0.00 C ATOM 2116 C GLN A 134 -14.146 -15.673 5.045 1.00 0.00 C ATOM 2117 O GLN A 134 -15.194 -16.030 4.531 1.00 0.00 O ATOM 2118 CB GLN A 134 -14.140 -15.448 7.546 1.00 0.00 C ATOM 2119 CG GLN A 134 -13.268 -14.203 7.660 1.00 0.00 C ATOM 2120 CD GLN A 134 -13.899 -13.235 8.669 1.00 0.00 C ATOM 2121 OE1 GLN A 134 -14.375 -13.653 9.705 1.00 0.00 O ATOM 2122 NE2 GLN A 134 -13.939 -11.956 8.401 1.00 0.00 N ATOM 0 H GLN A 134 -11.694 -15.788 7.003 1.00 0.00 H new ATOM 0 HA GLN A 134 -14.114 -17.293 6.438 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -15.183 -15.162 7.410 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -14.086 -16.027 8.468 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -12.263 -14.477 7.980 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -13.172 -13.721 6.687 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -13.539 -11.605 7.531 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -14.370 -11.310 9.062 1.00 0.00 H new ATOM 2131 N GLU A 135 -13.412 -14.741 4.481 1.00 0.00 N ATOM 2132 CA GLU A 135 -13.881 -14.137 3.196 1.00 0.00 C ATOM 2133 C GLU A 135 -13.735 -15.157 2.075 1.00 0.00 C ATOM 2134 O GLU A 135 -14.489 -15.145 1.128 1.00 0.00 O ATOM 2135 CB GLU A 135 -13.117 -12.832 2.875 1.00 0.00 C ATOM 2136 CG GLU A 135 -11.774 -13.112 2.154 1.00 0.00 C ATOM 2137 CD GLU A 135 -11.941 -13.032 0.632 1.00 0.00 C ATOM 2138 OE1 GLU A 135 -12.142 -11.937 0.131 1.00 0.00 O ATOM 2139 OE2 GLU A 135 -11.849 -14.066 -0.010 1.00 0.00 O ATOM 0 H GLU A 135 -12.530 -14.381 4.845 1.00 0.00 H new ATOM 0 HA GLU A 135 -14.933 -13.870 3.294 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -13.739 -12.192 2.249 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -12.926 -12.286 3.799 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -11.025 -12.390 2.480 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -11.407 -14.100 2.432 1.00 0.00 H new ATOM 2146 N ASP A 136 -12.777 -16.047 2.166 1.00 0.00 N ATOM 2147 CA ASP A 136 -12.643 -17.052 1.080 1.00 0.00 C ATOM 2148 C ASP A 136 -13.944 -17.862 1.021 1.00 0.00 C ATOM 2149 O ASP A 136 -14.407 -18.229 -0.037 1.00 0.00 O ATOM 2150 CB ASP A 136 -11.408 -17.954 1.300 1.00 0.00 C ATOM 2151 CG ASP A 136 -11.568 -18.901 2.501 1.00 0.00 C ATOM 2152 OD1 ASP A 136 -12.683 -19.179 2.889 1.00 0.00 O ATOM 2153 OD2 ASP A 136 -10.551 -19.339 3.008 1.00 0.00 O ATOM 0 H ASP A 136 -12.101 -16.117 2.926 1.00 0.00 H new ATOM 0 HA ASP A 136 -12.484 -16.553 0.124 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -11.229 -18.543 0.400 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -10.529 -17.328 1.452 1.00 0.00 H new ATOM 2158 N ALA A 137 -14.549 -18.111 2.156 1.00 0.00 N ATOM 2159 CA ALA A 137 -15.839 -18.864 2.165 1.00 0.00 C ATOM 2160 C ALA A 137 -16.904 -18.026 1.446 1.00 0.00 C ATOM 2161 O ALA A 137 -17.662 -18.524 0.632 1.00 0.00 O ATOM 2162 CB ALA A 137 -16.276 -19.093 3.611 1.00 0.00 C ATOM 0 H ALA A 137 -14.206 -17.826 3.073 1.00 0.00 H new ATOM 0 HA ALA A 137 -15.715 -19.823 1.662 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -17.217 -19.642 3.624 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -15.513 -19.668 4.135 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -16.410 -18.132 4.107 1.00 0.00 H new ATOM 2168 N LEU A 138 -16.964 -16.743 1.776 1.00 0.00 N ATOM 2169 CA LEU A 138 -17.978 -15.824 1.158 1.00 0.00 C ATOM 2170 C LEU A 138 -17.497 -15.324 -0.220 1.00 0.00 C ATOM 2171 O LEU A 138 -18.270 -14.802 -1.001 1.00 0.00 O ATOM 2172 CB LEU A 138 -18.226 -14.614 2.102 1.00 0.00 C ATOM 2173 CG LEU A 138 -18.500 -15.115 3.536 1.00 0.00 C ATOM 2174 CD1 LEU A 138 -18.998 -13.952 4.407 1.00 0.00 C ATOM 2175 CD2 LEU A 138 -19.556 -16.216 3.524 1.00 0.00 C ATOM 0 H LEU A 138 -16.345 -16.297 2.453 1.00 0.00 H new ATOM 0 HA LEU A 138 -18.908 -16.375 1.017 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -17.358 -13.954 2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -19.073 -14.029 1.743 1.00 0.00 H new ATOM 0 HG LEU A 138 -17.572 -15.513 3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -19.190 -14.311 5.418 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -18.240 -13.170 4.438 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -19.918 -13.549 3.984 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -19.737 -16.558 4.543 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -20.483 -15.827 3.102 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -19.204 -17.051 2.918 1.00 0.00 H new ATOM 2187 N ALA A 139 -16.240 -15.503 -0.538 1.00 0.00 N ATOM 2188 CA ALA A 139 -15.724 -15.042 -1.868 1.00 0.00 C ATOM 2189 C ALA A 139 -16.484 -15.770 -2.977 1.00 0.00 C ATOM 2190 O ALA A 139 -16.547 -15.315 -4.102 1.00 0.00 O ATOM 2191 CB ALA A 139 -14.227 -15.371 -1.971 1.00 0.00 C ATOM 0 H ALA A 139 -15.547 -15.948 0.064 1.00 0.00 H new ATOM 0 HA ALA A 139 -15.868 -13.966 -1.970 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -13.847 -15.038 -2.937 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -13.687 -14.862 -1.173 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -14.084 -16.447 -1.877 1.00 0.00 H new ATOM 2197 N GLN A 140 -17.086 -16.883 -2.664 1.00 0.00 N ATOM 2198 CA GLN A 140 -17.876 -17.622 -3.695 1.00 0.00 C ATOM 2199 C GLN A 140 -19.223 -16.919 -3.852 1.00 0.00 C ATOM 2200 O GLN A 140 -19.981 -17.193 -4.765 1.00 0.00 O ATOM 2201 CB GLN A 140 -18.129 -19.057 -3.231 1.00 0.00 C ATOM 2202 CG GLN A 140 -16.798 -19.759 -2.962 1.00 0.00 C ATOM 2203 CD GLN A 140 -15.961 -19.773 -4.235 1.00 0.00 C ATOM 2204 OE1 GLN A 140 -16.351 -20.355 -5.227 1.00 0.00 O ATOM 2205 NE2 GLN A 140 -14.819 -19.143 -4.252 1.00 0.00 N ATOM 0 H GLN A 140 -17.067 -17.315 -1.740 1.00 0.00 H new ATOM 0 HA GLN A 140 -17.328 -17.639 -4.637 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -18.738 -19.054 -2.327 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -18.690 -19.601 -3.991 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -16.259 -19.245 -2.166 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -16.976 -20.779 -2.620 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -14.493 -18.655 -3.418 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -14.252 -19.138 -5.100 1.00 0.00 H new ATOM 2214 N GLN A 141 -19.537 -16.021 -2.953 1.00 0.00 N ATOM 2215 CA GLN A 141 -20.844 -15.305 -3.029 1.00 0.00 C ATOM 2216 C GLN A 141 -20.609 -13.841 -3.397 1.00 0.00 C ATOM 2217 O GLN A 141 -20.362 -13.056 -2.499 1.00 0.00 O ATOM 2218 CB GLN A 141 -21.531 -15.391 -1.667 1.00 0.00 C ATOM 2219 CG GLN A 141 -21.766 -16.870 -1.295 1.00 0.00 C ATOM 2220 CD GLN A 141 -22.699 -17.524 -2.325 1.00 0.00 C ATOM 2221 OE1 GLN A 141 -22.414 -18.588 -2.847 1.00 0.00 O ATOM 2222 NE2 GLN A 141 -23.813 -16.924 -2.647 1.00 0.00 N ATOM 2223 OXT GLN A 141 -20.687 -13.537 -4.574 1.00 0.00 O ATOM 0 H GLN A 141 -18.943 -15.753 -2.169 1.00 0.00 H new ATOM 0 HA GLN A 141 -21.474 -15.764 -3.791 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -20.916 -14.908 -0.908 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -22.481 -14.857 -1.694 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -20.815 -17.402 -1.263 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -22.204 -16.939 -0.299 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -24.056 -16.033 -2.213 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -24.440 -17.346 -3.332 1.00 0.00 H new TER 2232 GLN A 141