USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1110 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 96 LYS NZ :NH3+ 167:sc= 0.687 (180deg=0) USER MOD Set 1.2: A 98 TYR OH : rot 180:sc= 0.607 USER MOD Set 2.1: A 69 GLN : amide:sc= 0.251 K(o=-0.25,f=-1) USER MOD Set 2.2: A 103 MET CE :methyl -167:sc= -0.503 (180deg=-1.2) USER MOD Set 3.1: A 31 TYR OH : rot -145:sc= 1.84 USER MOD Set 3.2: A 50 CYS SG : rot 79:sc= 1.39 USER MOD Set 3.3: A 55 SER OG : rot -174:sc= 0.948 USER MOD Set 4.1: A 39 HIS : no HE2:sc= -0.672 K(o=-0.84,f=-2.7!) USER MOD Set 4.2: A 43 GLN : amide:sc= -0.17 X(o=-0.84,f=-1.1) USER MOD Set 5.1: A 32 THR OG1 : rot 134:sc= 1.21 USER MOD Set 5.2: A 65 ASN : amide:sc= 2.04 K(o=3.3,f=-3.5) USER MOD Single : A 10 GLN : amide:sc= -1.48 X(o=-1.5,f=-1.9) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0.00514 X(o=0.0051,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 13:sc= 0.26 USER MOD Single : A 27 CYS SG : rot 64:sc= 0.871 USER MOD Single : A 30 LYS NZ :NH3+ -168:sc= 1.27 (180deg=1.12) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -1.43 K(o=-1.4,f=-10!) USER MOD Single : A 48 ASN : amide:sc= 0.871 K(o=0.87,f=0) USER MOD Single : A 62 THR OG1 : rot 147:sc= 1.26 USER MOD Single : A 64 THR OG1 : rot 21:sc= 0.464 USER MOD Single : A 67 SER OG : rot 180:sc= 0.0315 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.387 K(o=-0.39,f=-6.9!) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN : amide:sc=-0.00411 K(o=-0.0041,f=-0.71) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 116:sc= 0.362 USER MOD Single : A 87 TYR OH : rot 90:sc= -0.0482 USER MOD Single : A 100 LYS NZ :NH3+ -131:sc= 0.921 (180deg=-3.72!) USER MOD Single : A 106 ASN : amide:sc=-0.00523 K(o=-0.0052,f=-0.8) USER MOD Single : A 109 CYS SG : rot 90:sc= -0.155 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 HIS : no HD1:sc= -1.58 X(o=-1.6,f=-1.5) USER MOD Single : A 124 MET CE :methyl 179:sc= -1.16 (180deg=-1.17) USER MOD Single : A 126 CYS SG : rot 91:sc= 0.435 USER MOD Single : A 135 GLN : amide:sc= 0.762 K(o=0.76,f=0) USER MOD Single : A 136 GLN : amide:sc= -1.13 K(o=-1.1,f=-0.085) USER MOD Single : A 142 GLN : amide:sc= -1.42 K(o=-1.4,f=-0.11) USER MOD Single : A 143 GLN : amide:sc= 1.21 K(o=1.2,f=0) USER MOD ----------------------------------------------------------------- ATOM 36 N PRO A 4 -18.970 -4.303 9.618 1.00 1.00 N ATOM 37 CA PRO A 4 -18.405 -3.353 8.680 1.00 1.00 C ATOM 38 C PRO A 4 -17.070 -3.820 8.123 1.00 1.00 C ATOM 39 O PRO A 4 -16.124 -4.126 8.848 1.00 1.00 O ATOM 40 CB PRO A 4 -18.250 -2.036 9.414 1.00 1.00 C ATOM 41 CG PRO A 4 -18.158 -2.463 10.879 1.00 1.00 C ATOM 42 CD PRO A 4 -19.005 -3.733 10.953 1.00 1.00 C ATOM 0 HA PRO A 4 -19.068 -3.248 7.821 1.00 1.00 H new ATOM 0 HB2 PRO A 4 -17.357 -1.499 9.094 1.00 1.00 H new ATOM 0 HB3 PRO A 4 -19.099 -1.375 9.239 1.00 1.00 H new ATOM 0 HG2 PRO A 4 -17.126 -2.655 11.174 1.00 1.00 H new ATOM 0 HG3 PRO A 4 -18.541 -1.689 11.544 1.00 1.00 H new ATOM 0 HD2 PRO A 4 -18.603 -4.430 11.688 1.00 1.00 H new ATOM 0 HD3 PRO A 4 -20.027 -3.506 11.256 1.00 1.00 H new ATOM 50 N ARG A 5 -17.009 -3.813 6.804 1.00 1.00 N ATOM 51 CA ARG A 5 -15.838 -3.991 5.953 1.00 1.00 C ATOM 52 C ARG A 5 -15.924 -3.047 4.771 1.00 1.00 C ATOM 53 O ARG A 5 -14.890 -2.662 4.233 1.00 1.00 O ATOM 54 CB ARG A 5 -15.745 -5.425 5.410 1.00 1.00 C ATOM 55 CG ARG A 5 -15.690 -6.529 6.468 1.00 1.00 C ATOM 56 CD ARG A 5 -14.305 -6.771 7.086 1.00 1.00 C ATOM 57 NE ARG A 5 -13.955 -5.731 8.063 1.00 1.00 N ATOM 58 CZ ARG A 5 -12.757 -5.183 8.284 1.00 1.00 C ATOM 59 NH1 ARG A 5 -11.656 -5.610 7.679 1.00 1.00 N ATOM 60 NH2 ARG A 5 -12.655 -4.178 9.137 1.00 1.00 N ATOM 0 H ARG A 5 -17.852 -3.670 6.247 1.00 1.00 H new ATOM 0 HA ARG A 5 -14.957 -3.783 6.560 1.00 1.00 H new ATOM 0 HB2 ARG A 5 -16.605 -5.607 4.765 1.00 1.00 H new ATOM 0 HB3 ARG A 5 -14.855 -5.501 4.785 1.00 1.00 H new ATOM 0 HG2 ARG A 5 -16.389 -6.280 7.267 1.00 1.00 H new ATOM 0 HG3 ARG A 5 -16.038 -7.459 6.019 1.00 1.00 H new ATOM 0 HD2 ARG A 5 -14.289 -7.747 7.572 1.00 1.00 H new ATOM 0 HD3 ARG A 5 -13.554 -6.796 6.297 1.00 1.00 H new ATOM 0 HE ARG A 5 -14.720 -5.385 8.643 1.00 1.00 H new ATOM 0 HH11 ARG A 5 -11.705 -6.384 7.017 1.00 1.00 H new ATOM 0 HH12 ARG A 5 -10.760 -5.164 7.876 1.00 1.00 H new ATOM 0 HH21 ARG A 5 -13.485 -3.830 9.617 1.00 1.00 H new ATOM 0 HH22 ARG A 5 -11.746 -3.750 9.315 1.00 1.00 H new ATOM 74 N VAL A 6 -17.140 -2.645 4.405 1.00 1.00 N ATOM 75 CA VAL A 6 -17.386 -1.713 3.327 1.00 1.00 C ATOM 76 C VAL A 6 -18.287 -0.589 3.842 1.00 1.00 C ATOM 77 O VAL A 6 -19.181 -0.824 4.665 1.00 1.00 O ATOM 78 CB VAL A 6 -17.920 -2.443 2.072 1.00 1.00 C ATOM 79 CG1 VAL A 6 -16.943 -3.541 1.613 1.00 1.00 C ATOM 80 CG2 VAL A 6 -19.308 -3.077 2.239 1.00 1.00 C ATOM 0 H VAL A 6 -17.992 -2.969 4.863 1.00 1.00 H new ATOM 0 HA VAL A 6 -16.457 -1.249 2.998 1.00 1.00 H new ATOM 0 HB VAL A 6 -18.011 -1.656 1.324 1.00 1.00 H new ATOM 0 HG11 VAL A 6 -17.343 -4.038 0.729 1.00 1.00 H new ATOM 0 HG12 VAL A 6 -15.979 -3.093 1.372 1.00 1.00 H new ATOM 0 HG13 VAL A 6 -16.814 -4.271 2.412 1.00 1.00 H new ATOM 0 HG21 VAL A 6 -19.599 -3.565 1.309 1.00 1.00 H new ATOM 0 HG22 VAL A 6 -19.277 -3.814 3.042 1.00 1.00 H new ATOM 0 HG23 VAL A 6 -20.035 -2.303 2.485 1.00 1.00 H new ATOM 90 N VAL A 7 -18.059 0.636 3.374 1.00 1.00 N ATOM 91 CA VAL A 7 -19.052 1.705 3.402 1.00 1.00 C ATOM 92 C VAL A 7 -19.902 1.545 2.134 1.00 1.00 C ATOM 93 O VAL A 7 -19.439 0.900 1.192 1.00 1.00 O ATOM 94 CB VAL A 7 -18.380 3.093 3.509 1.00 1.00 C ATOM 95 CG1 VAL A 7 -17.417 3.178 4.697 1.00 1.00 C ATOM 96 CG2 VAL A 7 -17.638 3.517 2.234 1.00 1.00 C ATOM 0 H VAL A 7 -17.170 0.916 2.960 1.00 1.00 H new ATOM 0 HA VAL A 7 -19.690 1.636 4.283 1.00 1.00 H new ATOM 0 HB VAL A 7 -19.208 3.785 3.661 1.00 1.00 H new ATOM 0 HG11 VAL A 7 -16.969 4.171 4.732 1.00 1.00 H new ATOM 0 HG12 VAL A 7 -17.963 2.994 5.622 1.00 1.00 H new ATOM 0 HG13 VAL A 7 -16.633 2.430 4.584 1.00 1.00 H new ATOM 0 HG21 VAL A 7 -17.192 4.500 2.383 1.00 1.00 H new ATOM 0 HG22 VAL A 7 -16.854 2.793 2.011 1.00 1.00 H new ATOM 0 HG23 VAL A 7 -18.340 3.559 1.401 1.00 1.00 H new ATOM 106 N PRO A 8 -21.112 2.123 2.067 1.00 1.00 N ATOM 107 CA PRO A 8 -22.000 1.889 0.941 1.00 1.00 C ATOM 108 C PRO A 8 -21.485 2.620 -0.294 1.00 1.00 C ATOM 109 O PRO A 8 -21.162 2.029 -1.320 1.00 1.00 O ATOM 110 CB PRO A 8 -23.360 2.408 1.403 1.00 1.00 C ATOM 111 CG PRO A 8 -23.067 3.445 2.487 1.00 1.00 C ATOM 112 CD PRO A 8 -21.715 3.016 3.051 1.00 1.00 C ATOM 0 HA PRO A 8 -22.063 0.839 0.655 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -23.910 2.854 0.574 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -23.975 1.597 1.794 1.00 1.00 H new ATOM 0 HG2 PRO A 8 -23.026 4.453 2.075 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -23.839 3.447 3.257 1.00 1.00 H new ATOM 0 HD2 PRO A 8 -21.078 3.882 3.229 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -21.839 2.510 4.008 1.00 1.00 H new ATOM 120 N ASP A 9 -21.439 3.941 -0.184 1.00 1.00 N ATOM 121 CA ASP A 9 -21.127 4.864 -1.267 1.00 1.00 C ATOM 122 C ASP A 9 -19.596 4.908 -1.444 1.00 1.00 C ATOM 123 O ASP A 9 -18.961 5.940 -1.204 1.00 1.00 O ATOM 124 CB ASP A 9 -21.711 6.246 -0.923 1.00 1.00 C ATOM 125 CG ASP A 9 -23.229 6.320 -1.055 1.00 1.00 C ATOM 126 OD1 ASP A 9 -23.756 6.246 -2.185 1.00 1.00 O ATOM 127 OD2 ASP A 9 -23.915 6.459 -0.013 1.00 1.00 O ATOM 0 H ASP A 9 -21.626 4.418 0.698 1.00 1.00 H new ATOM 0 HA ASP A 9 -21.569 4.540 -2.209 1.00 1.00 H new ATOM 0 HB2 ASP A 9 -21.431 6.505 0.098 1.00 1.00 H new ATOM 0 HB3 ASP A 9 -21.261 6.994 -1.576 1.00 1.00 H new ATOM 132 N GLN A 10 -18.968 3.782 -1.818 1.00 1.00 N ATOM 133 CA GLN A 10 -17.515 3.593 -1.763 1.00 1.00 C ATOM 134 C GLN A 10 -16.773 4.693 -2.524 1.00 1.00 C ATOM 135 O GLN A 10 -15.821 5.272 -2.000 1.00 1.00 O ATOM 136 CB GLN A 10 -17.109 2.208 -2.305 1.00 1.00 C ATOM 137 CG GLN A 10 -17.686 1.035 -1.501 1.00 1.00 C ATOM 138 CD GLN A 10 -17.415 -0.312 -2.170 1.00 1.00 C ATOM 139 OE1 GLN A 10 -17.335 -0.415 -3.394 1.00 1.00 O ATOM 140 NE2 GLN A 10 -17.239 -1.355 -1.380 1.00 1.00 N ATOM 0 H GLN A 10 -19.466 2.966 -2.172 1.00 1.00 H new ATOM 0 HA GLN A 10 -17.228 3.653 -0.713 1.00 1.00 H new ATOM 0 HB2 GLN A 10 -17.438 2.123 -3.341 1.00 1.00 H new ATOM 0 HB3 GLN A 10 -16.022 2.134 -2.308 1.00 1.00 H new ATOM 0 HG2 GLN A 10 -17.254 1.035 -0.500 1.00 1.00 H new ATOM 0 HG3 GLN A 10 -18.761 1.171 -1.384 1.00 1.00 H new ATOM 0 HE21 GLN A 10 -17.310 -1.246 -0.368 1.00 1.00 H new ATOM 0 HE22 GLN A 10 -17.032 -2.270 -1.781 1.00 1.00 H new ATOM 149 N ARG A 11 -17.202 5.001 -3.753 1.00 1.00 N ATOM 150 CA ARG A 11 -16.534 5.997 -4.589 1.00 1.00 C ATOM 151 C ARG A 11 -16.729 7.415 -4.049 1.00 1.00 C ATOM 152 O ARG A 11 -15.846 8.254 -4.234 1.00 1.00 O ATOM 153 CB ARG A 11 -17.045 5.874 -6.034 1.00 1.00 C ATOM 154 CG ARG A 11 -16.013 6.223 -7.113 1.00 1.00 C ATOM 155 CD ARG A 11 -14.965 5.110 -7.222 1.00 1.00 C ATOM 156 NE ARG A 11 -14.216 5.149 -8.487 1.00 1.00 N ATOM 157 CZ ARG A 11 -14.387 4.319 -9.527 1.00 1.00 C ATOM 158 NH1 ARG A 11 -15.515 3.635 -9.687 1.00 1.00 N ATOM 159 NH2 ARG A 11 -13.410 4.152 -10.406 1.00 1.00 N ATOM 0 H ARG A 11 -18.016 4.569 -4.191 1.00 1.00 H new ATOM 0 HA ARG A 11 -15.461 5.803 -4.572 1.00 1.00 H new ATOM 0 HB2 ARG A 11 -17.389 4.853 -6.197 1.00 1.00 H new ATOM 0 HB3 ARG A 11 -17.911 6.525 -6.155 1.00 1.00 H new ATOM 0 HG2 ARG A 11 -16.511 6.359 -8.073 1.00 1.00 H new ATOM 0 HG3 ARG A 11 -15.527 7.168 -6.870 1.00 1.00 H new ATOM 0 HD2 ARG A 11 -14.266 5.193 -6.390 1.00 1.00 H new ATOM 0 HD3 ARG A 11 -15.459 4.143 -7.128 1.00 1.00 H new ATOM 0 HE ARG A 11 -13.503 5.872 -8.582 1.00 1.00 H new ATOM 0 HH11 ARG A 11 -16.273 3.736 -9.011 1.00 1.00 H new ATOM 0 HH12 ARG A 11 -15.623 3.009 -10.485 1.00 1.00 H new ATOM 0 HH21 ARG A 11 -12.530 4.654 -10.291 1.00 1.00 H new ATOM 0 HH22 ARG A 11 -13.538 3.521 -11.197 1.00 1.00 H new ATOM 173 N SER A 12 -17.830 7.702 -3.351 1.00 1.00 N ATOM 174 CA SER A 12 -17.989 8.989 -2.694 1.00 1.00 C ATOM 175 C SER A 12 -17.049 9.066 -1.506 1.00 1.00 C ATOM 176 O SER A 12 -16.375 10.078 -1.377 1.00 1.00 O ATOM 177 CB SER A 12 -19.421 9.212 -2.218 1.00 1.00 C ATOM 178 OG SER A 12 -20.292 9.528 -3.289 1.00 1.00 O ATOM 0 H SER A 12 -18.615 7.063 -3.230 1.00 1.00 H new ATOM 0 HA SER A 12 -17.752 9.766 -3.420 1.00 1.00 H new ATOM 0 HB2 SER A 12 -19.779 8.315 -1.712 1.00 1.00 H new ATOM 0 HB3 SER A 12 -19.438 10.019 -1.486 1.00 1.00 H new ATOM 0 HG SER A 12 -21.199 9.662 -2.944 1.00 1.00 H new ATOM 184 N LYS A 13 -16.948 8.042 -0.648 1.00 1.00 N ATOM 185 CA LYS A 13 -16.011 8.128 0.473 1.00 1.00 C ATOM 186 C LYS A 13 -14.570 8.165 -0.024 1.00 1.00 C ATOM 187 O LYS A 13 -13.790 8.899 0.572 1.00 1.00 O ATOM 188 CB LYS A 13 -16.260 7.036 1.511 1.00 1.00 C ATOM 189 CG LYS A 13 -15.290 7.122 2.710 1.00 1.00 C ATOM 190 CD LYS A 13 -15.973 7.161 4.072 1.00 1.00 C ATOM 191 CE LYS A 13 -16.625 8.525 4.304 1.00 1.00 C ATOM 192 NZ LYS A 13 -17.159 8.611 5.673 1.00 1.00 N ATOM 0 H LYS A 13 -17.483 7.176 -0.705 1.00 1.00 H new ATOM 0 HA LYS A 13 -16.189 9.070 0.991 1.00 1.00 H new ATOM 0 HB2 LYS A 13 -17.286 7.111 1.872 1.00 1.00 H new ATOM 0 HB3 LYS A 13 -16.160 6.060 1.037 1.00 1.00 H new ATOM 0 HG2 LYS A 13 -14.617 6.265 2.679 1.00 1.00 H new ATOM 0 HG3 LYS A 13 -14.674 8.015 2.600 1.00 1.00 H new ATOM 0 HD2 LYS A 13 -16.727 6.376 4.130 1.00 1.00 H new ATOM 0 HD3 LYS A 13 -15.244 6.961 4.857 1.00 1.00 H new ATOM 0 HE2 LYS A 13 -15.894 9.317 4.141 1.00 1.00 H new ATOM 0 HE3 LYS A 13 -17.428 8.679 3.583 1.00 1.00 H new ATOM 0 HZ1 LYS A 13 -17.599 9.543 5.816 1.00 1.00 H new ATOM 0 HZ2 LYS A 13 -17.871 7.866 5.815 1.00 1.00 H new ATOM 0 HZ3 LYS A 13 -16.385 8.485 6.356 1.00 1.00 H new ATOM 206 N PHE A 14 -14.232 7.463 -1.112 1.00 1.00 N ATOM 207 CA PHE A 14 -12.925 7.557 -1.760 1.00 1.00 C ATOM 208 C PHE A 14 -12.550 9.024 -1.959 1.00 1.00 C ATOM 209 O PHE A 14 -11.423 9.411 -1.653 1.00 1.00 O ATOM 210 CB PHE A 14 -12.929 6.796 -3.099 1.00 1.00 C ATOM 211 CG PHE A 14 -11.722 7.004 -4.003 1.00 1.00 C ATOM 212 CD1 PHE A 14 -10.419 6.963 -3.474 1.00 1.00 C ATOM 213 CD2 PHE A 14 -11.897 7.217 -5.385 1.00 1.00 C ATOM 214 CE1 PHE A 14 -9.300 7.085 -4.319 1.00 1.00 C ATOM 215 CE2 PHE A 14 -10.778 7.367 -6.226 1.00 1.00 C ATOM 216 CZ PHE A 14 -9.480 7.290 -5.697 1.00 1.00 C ATOM 0 H PHE A 14 -14.867 6.808 -1.569 1.00 1.00 H new ATOM 0 HA PHE A 14 -12.175 7.094 -1.119 1.00 1.00 H new ATOM 0 HB2 PHE A 14 -13.016 5.731 -2.885 1.00 1.00 H new ATOM 0 HB3 PHE A 14 -13.823 7.084 -3.652 1.00 1.00 H new ATOM 0 HD1 PHE A 14 -10.276 6.837 -2.411 1.00 1.00 H new ATOM 0 HD2 PHE A 14 -12.893 7.265 -5.800 1.00 1.00 H new ATOM 0 HE1 PHE A 14 -8.303 7.021 -3.908 1.00 1.00 H new ATOM 0 HE2 PHE A 14 -10.919 7.542 -7.282 1.00 1.00 H new ATOM 0 HZ PHE A 14 -8.623 7.388 -6.347 1.00 1.00 H new ATOM 226 N GLU A 15 -13.490 9.844 -2.427 1.00 1.00 N ATOM 227 CA GLU A 15 -13.250 11.257 -2.629 1.00 1.00 C ATOM 228 C GLU A 15 -13.340 12.043 -1.302 1.00 1.00 C ATOM 229 O GLU A 15 -12.527 12.942 -1.075 1.00 1.00 O ATOM 230 CB GLU A 15 -14.155 11.754 -3.777 1.00 1.00 C ATOM 231 CG GLU A 15 -15.359 12.632 -3.421 1.00 1.00 C ATOM 232 CD GLU A 15 -15.003 14.042 -2.933 1.00 1.00 C ATOM 233 OE1 GLU A 15 -13.925 14.573 -3.285 1.00 1.00 O ATOM 234 OE2 GLU A 15 -15.823 14.604 -2.173 1.00 1.00 O ATOM 0 H GLU A 15 -14.432 9.542 -2.673 1.00 1.00 H new ATOM 0 HA GLU A 15 -12.225 11.441 -2.952 1.00 1.00 H new ATOM 0 HB2 GLU A 15 -13.531 12.312 -4.475 1.00 1.00 H new ATOM 0 HB3 GLU A 15 -14.527 10.879 -4.310 1.00 1.00 H new ATOM 0 HG2 GLU A 15 -16.001 12.717 -4.298 1.00 1.00 H new ATOM 0 HG3 GLU A 15 -15.941 12.131 -2.647 1.00 1.00 H new ATOM 241 N ASN A 16 -14.317 11.709 -0.444 1.00 1.00 N ATOM 242 CA ASN A 16 -14.809 12.538 0.658 1.00 1.00 C ATOM 243 C ASN A 16 -13.909 12.509 1.871 1.00 1.00 C ATOM 244 O ASN A 16 -13.801 13.532 2.551 1.00 1.00 O ATOM 245 CB ASN A 16 -16.209 12.112 1.139 1.00 1.00 C ATOM 246 CG ASN A 16 -17.274 13.097 0.703 1.00 1.00 C ATOM 247 OD1 ASN A 16 -17.579 14.047 1.421 1.00 1.00 O ATOM 248 ND2 ASN A 16 -17.863 12.877 -0.456 1.00 1.00 N ATOM 0 H ASN A 16 -14.804 10.815 -0.506 1.00 1.00 H new ATOM 0 HA ASN A 16 -14.836 13.542 0.236 1.00 1.00 H new ATOM 0 HB2 ASN A 16 -16.444 11.123 0.745 1.00 1.00 H new ATOM 0 HB3 ASN A 16 -16.211 12.031 2.226 1.00 1.00 H new ATOM 0 HD21 ASN A 16 -18.597 13.505 -0.782 1.00 1.00 H new ATOM 0 HD22 ASN A 16 -17.584 12.078 -1.026 1.00 1.00 H new ATOM 255 N GLU A 17 -13.367 11.342 2.226 1.00 1.00 N ATOM 256 CA GLU A 17 -12.565 11.197 3.426 1.00 1.00 C ATOM 257 C GLU A 17 -11.426 12.208 3.486 1.00 1.00 C ATOM 258 O GLU A 17 -10.690 12.421 2.516 1.00 1.00 O ATOM 259 CB GLU A 17 -12.043 9.764 3.484 1.00 1.00 C ATOM 260 CG GLU A 17 -12.771 8.965 4.552 1.00 1.00 C ATOM 261 CD GLU A 17 -12.132 9.089 5.936 1.00 1.00 C ATOM 262 OE1 GLU A 17 -11.392 10.068 6.193 1.00 1.00 O ATOM 263 OE2 GLU A 17 -12.419 8.217 6.788 1.00 1.00 O ATOM 0 H GLU A 17 -13.475 10.481 1.689 1.00 1.00 H new ATOM 0 HA GLU A 17 -13.188 11.401 4.297 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -12.174 9.285 2.513 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -10.974 9.770 3.695 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -13.807 9.301 4.605 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -12.791 7.915 4.261 1.00 1.00 H new ATOM 270 N GLU A 18 -11.266 12.817 4.659 1.00 1.00 N ATOM 271 CA GLU A 18 -10.130 13.644 4.988 1.00 1.00 C ATOM 272 C GLU A 18 -8.854 12.836 4.823 1.00 1.00 C ATOM 273 O GLU A 18 -7.864 13.354 4.312 1.00 1.00 O ATOM 274 CB GLU A 18 -10.260 14.120 6.434 1.00 1.00 C ATOM 275 CG GLU A 18 -11.507 14.972 6.676 1.00 1.00 C ATOM 276 CD GLU A 18 -11.373 15.744 7.986 1.00 1.00 C ATOM 277 OE1 GLU A 18 -10.703 16.806 7.991 1.00 1.00 O ATOM 278 OE2 GLU A 18 -11.909 15.266 9.013 1.00 1.00 O ATOM 0 H GLU A 18 -11.944 12.741 5.418 1.00 1.00 H new ATOM 0 HA GLU A 18 -10.095 14.508 4.324 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -10.286 13.253 7.094 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -9.375 14.698 6.701 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -11.647 15.667 5.848 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -12.391 14.335 6.710 1.00 1.00 H new ATOM 285 N PHE A 19 -8.887 11.557 5.209 1.00 1.00 N ATOM 286 CA PHE A 19 -7.739 10.691 5.133 1.00 1.00 C ATOM 287 C PHE A 19 -7.272 10.594 3.680 1.00 1.00 C ATOM 288 O PHE A 19 -6.096 10.821 3.401 1.00 1.00 O ATOM 289 CB PHE A 19 -8.101 9.348 5.771 1.00 1.00 C ATOM 290 CG PHE A 19 -6.919 8.416 5.867 1.00 1.00 C ATOM 291 CD1 PHE A 19 -6.561 7.668 4.740 1.00 1.00 C ATOM 292 CD2 PHE A 19 -6.151 8.334 7.042 1.00 1.00 C ATOM 293 CE1 PHE A 19 -5.443 6.821 4.775 1.00 1.00 C ATOM 294 CE2 PHE A 19 -5.035 7.482 7.085 1.00 1.00 C ATOM 295 CZ PHE A 19 -4.690 6.721 5.956 1.00 1.00 C ATOM 0 H PHE A 19 -9.721 11.105 5.583 1.00 1.00 H new ATOM 0 HA PHE A 19 -6.891 11.086 5.692 1.00 1.00 H new ATOM 0 HB2 PHE A 19 -8.505 9.521 6.768 1.00 1.00 H new ATOM 0 HB3 PHE A 19 -8.888 8.872 5.186 1.00 1.00 H new ATOM 0 HD1 PHE A 19 -7.149 7.743 3.837 1.00 1.00 H new ATOM 0 HD2 PHE A 19 -6.418 8.923 7.907 1.00 1.00 H new ATOM 0 HE1 PHE A 19 -5.164 6.251 3.901 1.00 1.00 H new ATOM 0 HE2 PHE A 19 -4.443 7.412 7.985 1.00 1.00 H new ATOM 0 HZ PHE A 19 -3.841 6.055 5.996 1.00 1.00 H new ATOM 305 N PHE A 20 -8.167 10.298 2.730 1.00 1.00 N ATOM 306 CA PHE A 20 -7.731 10.147 1.351 1.00 1.00 C ATOM 307 C PHE A 20 -7.314 11.468 0.724 1.00 1.00 C ATOM 308 O PHE A 20 -6.334 11.494 -0.020 1.00 1.00 O ATOM 309 CB PHE A 20 -8.823 9.475 0.526 1.00 1.00 C ATOM 310 CG PHE A 20 -9.330 8.162 1.088 1.00 1.00 C ATOM 311 CD1 PHE A 20 -8.469 7.195 1.624 1.00 1.00 C ATOM 312 CD2 PHE A 20 -10.701 7.913 1.084 1.00 1.00 C ATOM 313 CE1 PHE A 20 -8.971 5.979 2.092 1.00 1.00 C ATOM 314 CE2 PHE A 20 -11.226 6.709 1.581 1.00 1.00 C ATOM 315 CZ PHE A 20 -10.353 5.729 2.079 1.00 1.00 C ATOM 0 H PHE A 20 -9.165 10.163 2.889 1.00 1.00 H new ATOM 0 HA PHE A 20 -6.845 9.512 1.357 1.00 1.00 H new ATOM 0 HB2 PHE A 20 -9.664 10.163 0.434 1.00 1.00 H new ATOM 0 HB3 PHE A 20 -8.442 9.300 -0.480 1.00 1.00 H new ATOM 0 HD1 PHE A 20 -7.408 7.392 1.676 1.00 1.00 H new ATOM 0 HD2 PHE A 20 -11.373 8.661 0.691 1.00 1.00 H new ATOM 0 HE1 PHE A 20 -8.293 5.226 2.466 1.00 1.00 H new ATOM 0 HE2 PHE A 20 -12.292 6.538 1.580 1.00 1.00 H new ATOM 0 HZ PHE A 20 -10.741 4.791 2.449 1.00 1.00 H new ATOM 325 N ARG A 21 -8.006 12.567 1.019 1.00 1.00 N ATOM 326 CA ARG A 21 -7.641 13.875 0.478 1.00 1.00 C ATOM 327 C ARG A 21 -6.306 14.366 1.014 1.00 1.00 C ATOM 328 O ARG A 21 -5.568 15.014 0.279 1.00 1.00 O ATOM 329 CB ARG A 21 -8.766 14.866 0.795 1.00 1.00 C ATOM 330 CG ARG A 21 -9.862 14.741 -0.268 1.00 1.00 C ATOM 331 CD ARG A 21 -9.547 15.649 -1.465 1.00 1.00 C ATOM 332 NE ARG A 21 -10.055 17.009 -1.257 1.00 1.00 N ATOM 333 CZ ARG A 21 -11.343 17.376 -1.281 1.00 1.00 C ATOM 334 NH1 ARG A 21 -12.306 16.506 -1.581 1.00 1.00 N ATOM 335 NH2 ARG A 21 -11.657 18.629 -0.982 1.00 1.00 N ATOM 0 H ARG A 21 -8.823 12.578 1.630 1.00 1.00 H new ATOM 0 HA ARG A 21 -7.518 13.788 -0.602 1.00 1.00 H new ATOM 0 HB2 ARG A 21 -9.177 14.664 1.784 1.00 1.00 H new ATOM 0 HB3 ARG A 21 -8.376 15.884 0.814 1.00 1.00 H new ATOM 0 HG2 ARG A 21 -9.941 13.705 -0.599 1.00 1.00 H new ATOM 0 HG3 ARG A 21 -10.827 15.013 0.160 1.00 1.00 H new ATOM 0 HD2 ARG A 21 -8.469 15.683 -1.624 1.00 1.00 H new ATOM 0 HD3 ARG A 21 -9.989 15.229 -2.368 1.00 1.00 H new ATOM 0 HE ARG A 21 -9.367 17.740 -1.078 1.00 1.00 H new ATOM 0 HH11 ARG A 21 -12.069 15.538 -1.799 1.00 1.00 H new ATOM 0 HH12 ARG A 21 -13.280 16.808 -1.593 1.00 1.00 H new ATOM 0 HH21 ARG A 21 -10.923 19.295 -0.739 1.00 1.00 H new ATOM 0 HH22 ARG A 21 -12.632 18.927 -0.995 1.00 1.00 H new ATOM 349 N LYS A 22 -5.951 14.017 2.249 1.00 1.00 N ATOM 350 CA LYS A 22 -4.659 14.340 2.827 1.00 1.00 C ATOM 351 C LYS A 22 -3.545 13.691 2.015 1.00 1.00 C ATOM 352 O LYS A 22 -2.539 14.349 1.750 1.00 1.00 O ATOM 353 CB LYS A 22 -4.644 13.888 4.299 1.00 1.00 C ATOM 354 CG LYS A 22 -5.237 14.978 5.203 1.00 1.00 C ATOM 355 CD LYS A 22 -5.297 14.512 6.660 1.00 1.00 C ATOM 356 CE LYS A 22 -5.788 15.658 7.551 1.00 1.00 C ATOM 357 NZ LYS A 22 -5.576 15.381 8.986 1.00 1.00 N ATOM 0 H LYS A 22 -6.562 13.497 2.879 1.00 1.00 H new ATOM 0 HA LYS A 22 -4.489 15.416 2.799 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -5.215 12.966 4.408 1.00 1.00 H new ATOM 0 HB3 LYS A 22 -3.622 13.668 4.607 1.00 1.00 H new ATOM 0 HG2 LYS A 22 -4.633 15.883 5.132 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -6.239 15.236 4.859 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -5.966 13.656 6.751 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -4.311 14.182 6.987 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -5.267 16.576 7.279 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -6.849 15.828 7.369 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -5.923 16.183 9.549 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -6.094 14.520 9.254 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -4.561 15.244 9.167 1.00 1.00 H new ATOM 371 N LEU A 23 -3.694 12.416 1.652 1.00 1.00 N ATOM 372 CA LEU A 23 -2.677 11.674 0.913 1.00 1.00 C ATOM 373 C LEU A 23 -2.698 12.105 -0.550 1.00 1.00 C ATOM 374 O LEU A 23 -1.643 12.213 -1.163 1.00 1.00 O ATOM 375 CB LEU A 23 -2.936 10.162 1.048 1.00 1.00 C ATOM 376 CG LEU A 23 -2.931 9.660 2.508 1.00 1.00 C ATOM 377 CD1 LEU A 23 -2.989 8.132 2.578 1.00 1.00 C ATOM 378 CD2 LEU A 23 -1.745 10.205 3.309 1.00 1.00 C ATOM 0 H LEU A 23 -4.528 11.869 1.864 1.00 1.00 H new ATOM 0 HA LEU A 23 -1.690 11.889 1.323 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -3.899 9.925 0.595 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -2.177 9.620 0.484 1.00 1.00 H new ATOM 0 HG LEU A 23 -3.836 10.051 2.973 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -2.984 7.815 3.621 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -3.901 7.780 2.096 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -2.123 7.711 2.067 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -1.788 9.822 4.329 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -0.813 9.887 2.841 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -1.789 11.294 3.328 1.00 1.00 H new ATOM 390 N SER A 24 -3.891 12.421 -1.063 1.00 1.00 N ATOM 391 CA SER A 24 -4.126 12.927 -2.403 1.00 1.00 C ATOM 392 C SER A 24 -3.548 12.025 -3.524 1.00 1.00 C ATOM 393 O SER A 24 -3.400 10.804 -3.368 1.00 1.00 O ATOM 394 CB SER A 24 -3.660 14.396 -2.467 1.00 1.00 C ATOM 395 OG SER A 24 -4.275 15.109 -3.531 1.00 1.00 O ATOM 0 H SER A 24 -4.752 12.324 -0.525 1.00 1.00 H new ATOM 0 HA SER A 24 -5.197 12.899 -2.606 1.00 1.00 H new ATOM 0 HB2 SER A 24 -3.888 14.889 -1.522 1.00 1.00 H new ATOM 0 HB3 SER A 24 -2.577 14.427 -2.589 1.00 1.00 H new ATOM 0 HG SER A 24 -5.024 14.586 -3.886 1.00 1.00 H new ATOM 401 N ARG A 25 -3.345 12.632 -4.703 1.00 1.00 N ATOM 402 CA ARG A 25 -2.737 12.060 -5.906 1.00 1.00 C ATOM 403 C ARG A 25 -1.209 12.046 -5.766 1.00 1.00 C ATOM 404 O ARG A 25 -0.708 12.099 -4.648 1.00 1.00 O ATOM 405 CB ARG A 25 -3.207 12.821 -7.154 1.00 1.00 C ATOM 406 CG ARG A 25 -4.736 12.821 -7.279 1.00 1.00 C ATOM 407 CD ARG A 25 -5.130 13.278 -8.682 1.00 1.00 C ATOM 408 NE ARG A 25 -6.588 13.292 -8.872 1.00 1.00 N ATOM 409 CZ ARG A 25 -7.344 12.239 -9.198 1.00 1.00 C ATOM 410 NH1 ARG A 25 -6.793 11.036 -9.328 1.00 1.00 N ATOM 411 NH2 ARG A 25 -8.654 12.377 -9.378 1.00 1.00 N ATOM 0 H ARG A 25 -3.622 13.603 -4.847 1.00 1.00 H new ATOM 0 HA ARG A 25 -3.061 11.026 -6.024 1.00 1.00 H new ATOM 0 HB2 ARG A 25 -2.846 13.849 -7.111 1.00 1.00 H new ATOM 0 HB3 ARG A 25 -2.770 12.367 -8.043 1.00 1.00 H new ATOM 0 HG2 ARG A 25 -5.128 11.822 -7.086 1.00 1.00 H new ATOM 0 HG3 ARG A 25 -5.173 13.484 -6.532 1.00 1.00 H new ATOM 0 HD2 ARG A 25 -4.732 14.277 -8.862 1.00 1.00 H new ATOM 0 HD3 ARG A 25 -4.675 12.616 -9.419 1.00 1.00 H new ATOM 0 HE ARG A 25 -7.065 14.184 -8.744 1.00 1.00 H new ATOM 0 HH11 ARG A 25 -5.791 10.915 -9.179 1.00 1.00 H new ATOM 0 HH12 ARG A 25 -7.372 10.234 -9.577 1.00 1.00 H new ATOM 0 HH21 ARG A 25 -9.090 13.292 -9.267 1.00 1.00 H new ATOM 0 HH22 ARG A 25 -9.223 11.568 -9.627 1.00 1.00 H new ATOM 425 N GLU A 26 -0.471 11.853 -6.865 1.00 1.00 N ATOM 426 CA GLU A 26 0.971 11.605 -6.879 1.00 1.00 C ATOM 427 C GLU A 26 1.737 12.683 -6.111 1.00 1.00 C ATOM 428 O GLU A 26 1.871 13.819 -6.562 1.00 1.00 O ATOM 429 CB GLU A 26 1.475 11.333 -8.308 1.00 1.00 C ATOM 430 CG GLU A 26 1.219 12.422 -9.364 1.00 1.00 C ATOM 431 CD GLU A 26 2.387 13.389 -9.573 1.00 1.00 C ATOM 432 OE1 GLU A 26 3.490 12.938 -9.964 1.00 1.00 O ATOM 433 OE2 GLU A 26 2.174 14.624 -9.550 1.00 1.00 O ATOM 0 H GLU A 26 -0.878 11.866 -7.800 1.00 1.00 H new ATOM 0 HA GLU A 26 1.178 10.686 -6.331 1.00 1.00 H new ATOM 0 HB2 GLU A 26 2.549 11.156 -8.259 1.00 1.00 H new ATOM 0 HB3 GLU A 26 1.015 10.409 -8.658 1.00 1.00 H new ATOM 0 HG2 GLU A 26 0.987 11.942 -10.314 1.00 1.00 H new ATOM 0 HG3 GLU A 26 0.338 12.994 -9.072 1.00 1.00 H new ATOM 440 N CYS A 27 2.217 12.314 -4.927 1.00 1.00 N ATOM 441 CA CYS A 27 3.043 13.109 -4.041 1.00 1.00 C ATOM 442 C CYS A 27 4.335 12.339 -3.783 1.00 1.00 C ATOM 443 O CYS A 27 4.449 11.158 -4.121 1.00 1.00 O ATOM 444 CB CYS A 27 2.327 13.303 -2.704 1.00 1.00 C ATOM 445 SG CYS A 27 0.758 14.203 -2.853 1.00 1.00 S ATOM 0 H CYS A 27 2.023 11.390 -4.541 1.00 1.00 H new ATOM 0 HA CYS A 27 3.244 14.080 -4.494 1.00 1.00 H new ATOM 0 HB2 CYS A 27 2.137 12.327 -2.257 1.00 1.00 H new ATOM 0 HB3 CYS A 27 2.984 13.843 -2.023 1.00 1.00 H new ATOM 0 HG CYS A 27 -0.075 13.507 -3.569 1.00 1.00 H new ATOM 451 N GLU A 28 5.306 12.982 -3.141 1.00 1.00 N ATOM 452 CA GLU A 28 6.467 12.266 -2.635 1.00 1.00 C ATOM 453 C GLU A 28 6.065 11.543 -1.342 1.00 1.00 C ATOM 454 O GLU A 28 5.261 12.046 -0.544 1.00 1.00 O ATOM 455 CB GLU A 28 7.648 13.234 -2.463 1.00 1.00 C ATOM 456 CG GLU A 28 8.980 12.481 -2.324 1.00 1.00 C ATOM 457 CD GLU A 28 10.212 13.382 -2.294 1.00 1.00 C ATOM 458 OE1 GLU A 28 10.117 14.555 -1.862 1.00 1.00 O ATOM 459 OE2 GLU A 28 11.305 12.909 -2.688 1.00 1.00 O ATOM 0 H GLU A 28 5.311 13.986 -2.961 1.00 1.00 H new ATOM 0 HA GLU A 28 6.806 11.508 -3.341 1.00 1.00 H new ATOM 0 HB2 GLU A 28 7.697 13.906 -3.320 1.00 1.00 H new ATOM 0 HB3 GLU A 28 7.486 13.854 -1.581 1.00 1.00 H new ATOM 0 HG2 GLU A 28 8.955 11.889 -1.409 1.00 1.00 H new ATOM 0 HG3 GLU A 28 9.076 11.781 -3.154 1.00 1.00 H new ATOM 466 N ILE A 29 6.638 10.363 -1.131 1.00 1.00 N ATOM 467 CA ILE A 29 6.392 9.447 -0.029 1.00 1.00 C ATOM 468 C ILE A 29 7.723 8.957 0.517 1.00 1.00 C ATOM 469 O ILE A 29 8.743 8.980 -0.177 1.00 1.00 O ATOM 470 CB ILE A 29 5.515 8.252 -0.476 1.00 1.00 C ATOM 471 CG1 ILE A 29 6.137 7.500 -1.663 1.00 1.00 C ATOM 472 CG2 ILE A 29 4.100 8.745 -0.802 1.00 1.00 C ATOM 473 CD1 ILE A 29 5.480 6.157 -1.981 1.00 1.00 C ATOM 0 H ILE A 29 7.339 9.997 -1.776 1.00 1.00 H new ATOM 0 HA ILE A 29 5.847 9.975 0.753 1.00 1.00 H new ATOM 0 HB ILE A 29 5.458 7.539 0.346 1.00 1.00 H new ATOM 0 HG12 ILE A 29 6.082 8.135 -2.547 1.00 1.00 H new ATOM 0 HG13 ILE A 29 7.194 7.332 -1.456 1.00 1.00 H new ATOM 0 HG21 ILE A 29 3.484 7.902 -1.116 1.00 1.00 H new ATOM 0 HG22 ILE A 29 3.661 9.204 0.084 1.00 1.00 H new ATOM 0 HG23 ILE A 29 4.147 9.480 -1.606 1.00 1.00 H new ATOM 0 HD11 ILE A 29 5.984 5.698 -2.832 1.00 1.00 H new ATOM 0 HD12 ILE A 29 5.558 5.500 -1.115 1.00 1.00 H new ATOM 0 HD13 ILE A 29 4.429 6.314 -2.223 1.00 1.00 H new ATOM 485 N LYS A 30 7.690 8.471 1.755 1.00 1.00 N ATOM 486 CA LYS A 30 8.857 7.818 2.375 1.00 1.00 C ATOM 487 C LYS A 30 8.441 6.599 3.166 1.00 1.00 C ATOM 488 O LYS A 30 7.397 6.622 3.809 1.00 1.00 O ATOM 489 CB LYS A 30 9.651 8.779 3.276 1.00 1.00 C ATOM 490 CG LYS A 30 10.203 9.953 2.462 1.00 1.00 C ATOM 491 CD LYS A 30 11.441 10.601 3.074 1.00 1.00 C ATOM 492 CE LYS A 30 11.985 11.650 2.103 1.00 1.00 C ATOM 493 NZ LYS A 30 13.415 11.913 2.335 1.00 1.00 N ATOM 0 H LYS A 30 6.868 8.514 2.357 1.00 1.00 H new ATOM 0 HA LYS A 30 9.510 7.508 1.559 1.00 1.00 H new ATOM 0 HB2 LYS A 30 9.008 9.153 4.073 1.00 1.00 H new ATOM 0 HB3 LYS A 30 10.472 8.243 3.753 1.00 1.00 H new ATOM 0 HG2 LYS A 30 10.446 9.604 1.458 1.00 1.00 H new ATOM 0 HG3 LYS A 30 9.424 10.708 2.357 1.00 1.00 H new ATOM 0 HD2 LYS A 30 11.191 11.065 4.028 1.00 1.00 H new ATOM 0 HD3 LYS A 30 12.200 9.846 3.276 1.00 1.00 H new ATOM 0 HE2 LYS A 30 11.839 11.309 1.078 1.00 1.00 H new ATOM 0 HE3 LYS A 30 11.421 12.576 2.214 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 13.702 12.762 1.807 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 13.580 12.064 3.351 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 13.975 11.099 2.011 1.00 1.00 H new ATOM 507 N TYR A 31 9.232 5.531 3.132 1.00 1.00 N ATOM 508 CA TYR A 31 8.955 4.343 3.919 1.00 1.00 C ATOM 509 C TYR A 31 9.198 4.654 5.406 1.00 1.00 C ATOM 510 O TYR A 31 10.107 5.418 5.733 1.00 1.00 O ATOM 511 CB TYR A 31 9.843 3.226 3.359 1.00 1.00 C ATOM 512 CG TYR A 31 9.211 1.859 3.380 1.00 1.00 C ATOM 513 CD1 TYR A 31 9.015 1.161 4.585 1.00 1.00 C ATOM 514 CD2 TYR A 31 8.770 1.311 2.166 1.00 1.00 C ATOM 515 CE1 TYR A 31 8.365 -0.085 4.575 1.00 1.00 C ATOM 516 CE2 TYR A 31 8.151 0.055 2.150 1.00 1.00 C ATOM 517 CZ TYR A 31 7.971 -0.658 3.342 1.00 1.00 C ATOM 518 OH TYR A 31 7.434 -1.899 3.256 1.00 1.00 O ATOM 0 H TYR A 31 10.075 5.468 2.562 1.00 1.00 H new ATOM 0 HA TYR A 31 7.917 4.017 3.853 1.00 1.00 H new ATOM 0 HB2 TYR A 31 10.112 3.473 2.332 1.00 1.00 H new ATOM 0 HB3 TYR A 31 10.770 3.193 3.932 1.00 1.00 H new ATOM 0 HD1 TYR A 31 9.363 1.582 5.517 1.00 1.00 H new ATOM 0 HD2 TYR A 31 8.908 1.857 1.245 1.00 1.00 H new ATOM 0 HE1 TYR A 31 8.167 -0.602 5.502 1.00 1.00 H new ATOM 0 HE2 TYR A 31 7.811 -0.365 1.215 1.00 1.00 H new ATOM 0 HH TYR A 31 7.733 -2.328 2.427 1.00 1.00 H new ATOM 528 N THR A 32 8.433 4.056 6.321 1.00 1.00 N ATOM 529 CA THR A 32 8.429 4.427 7.746 1.00 1.00 C ATOM 530 C THR A 32 8.420 3.220 8.696 1.00 1.00 C ATOM 531 O THR A 32 8.476 3.378 9.922 1.00 1.00 O ATOM 532 CB THR A 32 7.255 5.390 8.010 1.00 1.00 C ATOM 533 OG1 THR A 32 6.146 5.038 7.204 1.00 1.00 O ATOM 534 CG2 THR A 32 7.659 6.826 7.661 1.00 1.00 C ATOM 0 H THR A 32 7.792 3.294 6.097 1.00 1.00 H new ATOM 0 HA THR A 32 9.369 4.934 7.965 1.00 1.00 H new ATOM 0 HB THR A 32 6.991 5.320 9.065 1.00 1.00 H new ATOM 0 HG1 THR A 32 5.332 5.036 7.750 1.00 1.00 H new ATOM 0 HG21 THR A 32 6.821 7.496 7.852 1.00 1.00 H new ATOM 0 HG22 THR A 32 8.509 7.124 8.275 1.00 1.00 H new ATOM 0 HG23 THR A 32 7.935 6.881 6.608 1.00 1.00 H new ATOM 542 N GLY A 33 8.401 2.006 8.139 1.00 1.00 N ATOM 543 CA GLY A 33 8.591 0.772 8.877 1.00 1.00 C ATOM 544 C GLY A 33 10.045 0.589 9.323 1.00 1.00 C ATOM 545 O GLY A 33 10.692 1.483 9.867 1.00 1.00 O ATOM 0 H GLY A 33 8.249 1.860 7.141 1.00 1.00 H new ATOM 0 HA2 GLY A 33 7.940 0.769 9.751 1.00 1.00 H new ATOM 0 HA3 GLY A 33 8.293 -0.072 8.255 1.00 1.00 H new ATOM 549 N PHE A 34 10.579 -0.602 9.075 1.00 1.00 N ATOM 550 CA PHE A 34 11.863 -1.111 9.530 1.00 1.00 C ATOM 551 C PHE A 34 13.035 -0.235 9.051 1.00 1.00 C ATOM 552 O PHE A 34 14.113 -0.278 9.646 1.00 1.00 O ATOM 553 CB PHE A 34 11.943 -2.550 8.986 1.00 1.00 C ATOM 554 CG PHE A 34 11.670 -2.581 7.495 1.00 1.00 C ATOM 555 CD1 PHE A 34 12.655 -2.115 6.613 1.00 1.00 C ATOM 556 CD2 PHE A 34 10.368 -2.815 7.022 1.00 1.00 C ATOM 557 CE1 PHE A 34 12.345 -1.810 5.281 1.00 1.00 C ATOM 558 CE2 PHE A 34 10.057 -2.518 5.687 1.00 1.00 C ATOM 559 CZ PHE A 34 11.031 -1.997 4.822 1.00 1.00 C ATOM 0 H PHE A 34 10.084 -1.289 8.506 1.00 1.00 H new ATOM 0 HA PHE A 34 11.941 -1.094 10.617 1.00 1.00 H new ATOM 0 HB2 PHE A 34 12.931 -2.965 9.188 1.00 1.00 H new ATOM 0 HB3 PHE A 34 11.221 -3.180 9.505 1.00 1.00 H new ATOM 0 HD1 PHE A 34 13.668 -1.989 6.966 1.00 1.00 H new ATOM 0 HD2 PHE A 34 9.614 -3.220 7.680 1.00 1.00 H new ATOM 0 HE1 PHE A 34 13.108 -1.435 4.615 1.00 1.00 H new ATOM 0 HE2 PHE A 34 9.056 -2.692 5.321 1.00 1.00 H new ATOM 0 HZ PHE A 34 10.771 -1.740 3.806 1.00 1.00 H new ATOM 569 N ARG A 35 12.852 0.550 7.977 1.00 1.00 N ATOM 570 CA ARG A 35 13.864 1.479 7.450 1.00 1.00 C ATOM 571 C ARG A 35 14.267 2.599 8.414 1.00 1.00 C ATOM 572 O ARG A 35 15.100 3.422 8.046 1.00 1.00 O ATOM 573 CB ARG A 35 13.455 2.064 6.086 1.00 1.00 C ATOM 574 CG ARG A 35 12.573 3.336 6.114 1.00 1.00 C ATOM 575 CD ARG A 35 13.147 4.457 5.222 1.00 1.00 C ATOM 576 NE ARG A 35 14.385 5.005 5.794 1.00 1.00 N ATOM 577 CZ ARG A 35 14.990 6.154 5.473 1.00 1.00 C ATOM 578 NH1 ARG A 35 14.574 6.936 4.475 1.00 1.00 N ATOM 579 NH2 ARG A 35 16.055 6.504 6.188 1.00 1.00 N ATOM 0 H ARG A 35 11.983 0.557 7.442 1.00 1.00 H new ATOM 0 HA ARG A 35 14.753 0.861 7.319 1.00 1.00 H new ATOM 0 HB2 ARG A 35 14.363 2.291 5.527 1.00 1.00 H new ATOM 0 HB3 ARG A 35 12.923 1.292 5.530 1.00 1.00 H new ATOM 0 HG2 ARG A 35 11.566 3.086 5.780 1.00 1.00 H new ATOM 0 HG3 ARG A 35 12.488 3.696 7.139 1.00 1.00 H new ATOM 0 HD2 ARG A 35 13.345 4.066 4.224 1.00 1.00 H new ATOM 0 HD3 ARG A 35 12.410 5.252 5.112 1.00 1.00 H new ATOM 0 HE ARG A 35 14.834 4.445 6.519 1.00 1.00 H new ATOM 0 HH11 ARG A 35 13.762 6.666 3.920 1.00 1.00 H new ATOM 0 HH12 ARG A 35 15.068 7.804 4.267 1.00 1.00 H new ATOM 0 HH21 ARG A 35 16.380 5.904 6.947 1.00 1.00 H new ATOM 0 HH22 ARG A 35 16.547 7.372 5.978 1.00 1.00 H new ATOM 593 N ASP A 36 13.655 2.681 9.592 1.00 1.00 N ATOM 594 CA ASP A 36 14.191 3.490 10.685 1.00 1.00 C ATOM 595 C ASP A 36 15.589 3.039 11.122 1.00 1.00 C ATOM 596 O ASP A 36 16.335 3.837 11.688 1.00 1.00 O ATOM 597 CB ASP A 36 13.218 3.547 11.877 1.00 1.00 C ATOM 598 CG ASP A 36 12.925 4.991 12.283 1.00 1.00 C ATOM 599 OD1 ASP A 36 12.447 5.784 11.446 1.00 1.00 O ATOM 600 OD2 ASP A 36 13.196 5.364 13.448 1.00 1.00 O ATOM 0 H ASP A 36 12.786 2.196 9.815 1.00 1.00 H new ATOM 0 HA ASP A 36 14.299 4.502 10.296 1.00 1.00 H new ATOM 0 HB2 ASP A 36 12.287 3.044 11.614 1.00 1.00 H new ATOM 0 HB3 ASP A 36 13.644 3.008 12.723 1.00 1.00 H new ATOM 605 N ARG A 37 15.982 1.783 10.860 1.00 1.00 N ATOM 606 CA ARG A 37 17.389 1.372 10.887 1.00 1.00 C ATOM 607 C ARG A 37 18.177 2.160 9.838 1.00 1.00 C ATOM 608 O ARG A 37 17.682 2.305 8.720 1.00 1.00 O ATOM 609 CB ARG A 37 17.516 -0.123 10.575 1.00 1.00 C ATOM 610 CG ARG A 37 17.146 -1.017 11.757 1.00 1.00 C ATOM 611 CD ARG A 37 18.282 -1.079 12.779 1.00 1.00 C ATOM 612 NE ARG A 37 17.778 -1.519 14.078 1.00 1.00 N ATOM 613 CZ ARG A 37 18.516 -1.870 15.135 1.00 1.00 C ATOM 614 NH1 ARG A 37 19.834 -2.027 15.047 1.00 1.00 N ATOM 615 NH2 ARG A 37 17.940 -2.063 16.313 1.00 1.00 N ATOM 0 H ARG A 37 15.336 1.030 10.625 1.00 1.00 H new ATOM 0 HA ARG A 37 17.786 1.570 11.883 1.00 1.00 H new ATOM 0 HB2 ARG A 37 16.874 -0.367 9.728 1.00 1.00 H new ATOM 0 HB3 ARG A 37 18.540 -0.339 10.271 1.00 1.00 H new ATOM 0 HG2 ARG A 37 16.243 -0.637 12.235 1.00 1.00 H new ATOM 0 HG3 ARG A 37 16.919 -2.022 11.400 1.00 1.00 H new ATOM 0 HD2 ARG A 37 19.055 -1.764 12.431 1.00 1.00 H new ATOM 0 HD3 ARG A 37 18.746 -0.097 12.876 1.00 1.00 H new ATOM 0 HE ARG A 37 16.765 -1.562 14.189 1.00 1.00 H new ATOM 0 HH11 ARG A 37 20.307 -1.879 14.155 1.00 1.00 H new ATOM 0 HH12 ARG A 37 20.372 -2.296 15.871 1.00 1.00 H new ATOM 0 HH21 ARG A 37 16.932 -1.944 16.413 1.00 1.00 H new ATOM 0 HH22 ARG A 37 18.505 -2.331 17.119 1.00 1.00 H new ATOM 629 N PRO A 38 19.423 2.567 10.134 1.00 1.00 N ATOM 630 CA PRO A 38 20.241 3.301 9.185 1.00 1.00 C ATOM 631 C PRO A 38 20.516 2.459 7.941 1.00 1.00 C ATOM 632 O PRO A 38 20.560 1.223 7.986 1.00 1.00 O ATOM 633 CB PRO A 38 21.529 3.655 9.932 1.00 1.00 C ATOM 634 CG PRO A 38 21.630 2.556 10.983 1.00 1.00 C ATOM 635 CD PRO A 38 20.172 2.309 11.354 1.00 1.00 C ATOM 0 HA PRO A 38 19.741 4.201 8.828 1.00 1.00 H new ATOM 0 HB2 PRO A 38 22.393 3.658 9.267 1.00 1.00 H new ATOM 0 HB3 PRO A 38 21.473 4.644 10.387 1.00 1.00 H new ATOM 0 HG2 PRO A 38 22.104 1.658 10.586 1.00 1.00 H new ATOM 0 HG3 PRO A 38 22.219 2.873 11.844 1.00 1.00 H new ATOM 0 HD2 PRO A 38 20.021 1.287 11.701 1.00 1.00 H new ATOM 0 HD3 PRO A 38 19.853 2.970 12.160 1.00 1.00 H new ATOM 643 N HIS A 39 20.722 3.153 6.823 1.00 1.00 N ATOM 644 CA HIS A 39 21.026 2.526 5.555 1.00 1.00 C ATOM 645 C HIS A 39 22.345 1.782 5.618 1.00 1.00 C ATOM 646 O HIS A 39 23.342 2.279 6.145 1.00 1.00 O ATOM 647 CB HIS A 39 21.019 3.554 4.430 1.00 1.00 C ATOM 648 CG HIS A 39 19.646 3.622 3.852 1.00 1.00 C ATOM 649 ND1 HIS A 39 18.526 4.129 4.466 1.00 1.00 N ATOM 650 CD2 HIS A 39 19.247 2.831 2.820 1.00 1.00 C ATOM 651 CE1 HIS A 39 17.461 3.637 3.812 1.00 1.00 C ATOM 652 NE2 HIS A 39 17.855 2.842 2.798 1.00 1.00 N ATOM 0 H HIS A 39 20.681 4.171 6.780 1.00 1.00 H new ATOM 0 HA HIS A 39 20.248 1.793 5.342 1.00 1.00 H new ATOM 0 HB2 HIS A 39 21.318 4.531 4.809 1.00 1.00 H new ATOM 0 HB3 HIS A 39 21.739 3.277 3.660 1.00 1.00 H new ATOM 0 HD1 HIS A 39 18.507 4.760 5.267 1.00 1.00 H new ATOM 0 HD2 HIS A 39 19.892 2.293 2.142 1.00 1.00 H new ATOM 0 HE1 HIS A 39 16.432 3.849 4.064 1.00 1.00 H new ATOM 660 N GLU A 40 22.312 0.583 5.051 1.00 1.00 N ATOM 661 CA GLU A 40 23.349 -0.428 5.101 1.00 1.00 C ATOM 662 C GLU A 40 22.923 -1.523 4.125 1.00 1.00 C ATOM 663 O GLU A 40 23.362 -1.531 2.981 1.00 1.00 O ATOM 664 CB GLU A 40 23.490 -0.924 6.547 1.00 1.00 C ATOM 665 CG GLU A 40 24.582 -1.992 6.683 1.00 1.00 C ATOM 666 CD GLU A 40 24.741 -2.480 8.122 1.00 1.00 C ATOM 667 OE1 GLU A 40 24.474 -1.719 9.081 1.00 1.00 O ATOM 668 OE2 GLU A 40 25.116 -3.658 8.314 1.00 1.00 O ATOM 0 H GLU A 40 21.505 0.275 4.509 1.00 1.00 H new ATOM 0 HA GLU A 40 24.331 -0.056 4.809 1.00 1.00 H new ATOM 0 HB2 GLU A 40 23.723 -0.082 7.198 1.00 1.00 H new ATOM 0 HB3 GLU A 40 22.538 -1.334 6.884 1.00 1.00 H new ATOM 0 HG2 GLU A 40 24.341 -2.838 6.039 1.00 1.00 H new ATOM 0 HG3 GLU A 40 25.531 -1.585 6.333 1.00 1.00 H new ATOM 675 N GLU A 41 21.976 -2.375 4.527 1.00 1.00 N ATOM 676 CA GLU A 41 21.388 -3.439 3.704 1.00 1.00 C ATOM 677 C GLU A 41 19.859 -3.276 3.614 1.00 1.00 C ATOM 678 O GLU A 41 19.104 -4.177 3.235 1.00 1.00 O ATOM 679 CB GLU A 41 21.806 -4.805 4.268 1.00 1.00 C ATOM 680 CG GLU A 41 21.799 -5.908 3.197 1.00 1.00 C ATOM 681 CD GLU A 41 23.067 -5.874 2.344 1.00 1.00 C ATOM 682 OE1 GLU A 41 23.233 -4.938 1.524 1.00 1.00 O ATOM 683 OE2 GLU A 41 23.911 -6.786 2.514 1.00 1.00 O ATOM 0 H GLU A 41 21.583 -2.343 5.468 1.00 1.00 H new ATOM 0 HA GLU A 41 21.764 -3.370 2.683 1.00 1.00 H new ATOM 0 HB2 GLU A 41 22.804 -4.727 4.699 1.00 1.00 H new ATOM 0 HB3 GLU A 41 21.130 -5.083 5.077 1.00 1.00 H new ATOM 0 HG2 GLU A 41 21.710 -6.882 3.678 1.00 1.00 H new ATOM 0 HG3 GLU A 41 20.926 -5.788 2.556 1.00 1.00 H new ATOM 690 N ARG A 42 19.369 -2.109 4.036 1.00 1.00 N ATOM 691 CA ARG A 42 17.950 -1.874 4.248 1.00 1.00 C ATOM 692 C ARG A 42 17.166 -1.868 2.941 1.00 1.00 C ATOM 693 O ARG A 42 15.960 -2.067 3.003 1.00 1.00 O ATOM 694 CB ARG A 42 17.729 -0.603 5.093 1.00 1.00 C ATOM 695 CG ARG A 42 18.451 -0.643 6.458 1.00 1.00 C ATOM 696 CD ARG A 42 17.935 -1.758 7.385 1.00 1.00 C ATOM 697 NE ARG A 42 18.960 -2.251 8.330 1.00 1.00 N ATOM 698 CZ ARG A 42 18.899 -3.452 8.934 1.00 1.00 C ATOM 699 NH1 ARG A 42 17.756 -4.126 8.965 1.00 1.00 N ATOM 700 NH2 ARG A 42 19.977 -3.984 9.494 1.00 1.00 N ATOM 0 H ARG A 42 19.954 -1.299 4.240 1.00 1.00 H new ATOM 0 HA ARG A 42 17.550 -2.711 4.820 1.00 1.00 H new ATOM 0 HB2 ARG A 42 18.077 0.264 4.531 1.00 1.00 H new ATOM 0 HB3 ARG A 42 16.660 -0.467 5.259 1.00 1.00 H new ATOM 0 HG2 ARG A 42 19.519 -0.782 6.293 1.00 1.00 H new ATOM 0 HG3 ARG A 42 18.328 0.319 6.955 1.00 1.00 H new ATOM 0 HD2 ARG A 42 17.079 -1.386 7.949 1.00 1.00 H new ATOM 0 HD3 ARG A 42 17.579 -2.591 6.778 1.00 1.00 H new ATOM 0 HE ARG A 42 19.757 -1.648 8.535 1.00 1.00 H new ATOM 0 HH11 ARG A 42 16.921 -3.734 8.530 1.00 1.00 H new ATOM 0 HH12 ARG A 42 17.713 -5.036 9.424 1.00 1.00 H new ATOM 0 HH21 ARG A 42 20.865 -3.482 9.470 1.00 1.00 H new ATOM 0 HH22 ARG A 42 19.918 -4.895 9.949 1.00 1.00 H new ATOM 714 N GLN A 43 17.813 -1.734 1.783 1.00 1.00 N ATOM 715 CA GLN A 43 17.182 -1.881 0.475 1.00 1.00 C ATOM 716 C GLN A 43 16.729 -3.323 0.223 1.00 1.00 C ATOM 717 O GLN A 43 15.571 -3.559 -0.118 1.00 1.00 O ATOM 718 CB GLN A 43 18.178 -1.424 -0.591 1.00 1.00 C ATOM 719 CG GLN A 43 18.231 0.117 -0.672 1.00 1.00 C ATOM 720 CD GLN A 43 19.650 0.690 -0.672 1.00 1.00 C ATOM 721 OE1 GLN A 43 20.615 0.047 -1.077 1.00 1.00 O ATOM 722 NE2 GLN A 43 19.842 1.920 -0.239 1.00 1.00 N ATOM 0 H GLN A 43 18.808 -1.516 1.729 1.00 1.00 H new ATOM 0 HA GLN A 43 16.284 -1.264 0.436 1.00 1.00 H new ATOM 0 HB2 GLN A 43 19.169 -1.814 -0.359 1.00 1.00 H new ATOM 0 HB3 GLN A 43 17.893 -1.833 -1.560 1.00 1.00 H new ATOM 0 HG2 GLN A 43 17.719 0.441 -1.578 1.00 1.00 H new ATOM 0 HG3 GLN A 43 17.681 0.534 0.172 1.00 1.00 H new ATOM 0 HE21 GLN A 43 19.053 2.470 0.101 1.00 1.00 H new ATOM 0 HE22 GLN A 43 20.779 2.322 -0.244 1.00 1.00 H new ATOM 731 N THR A 44 17.607 -4.302 0.401 1.00 1.00 N ATOM 732 CA THR A 44 17.226 -5.704 0.267 1.00 1.00 C ATOM 733 C THR A 44 16.197 -6.078 1.335 1.00 1.00 C ATOM 734 O THR A 44 15.185 -6.714 1.016 1.00 1.00 O ATOM 735 CB THR A 44 18.478 -6.586 0.356 1.00 1.00 C ATOM 736 OG1 THR A 44 19.416 -6.188 -0.622 1.00 1.00 O ATOM 737 CG2 THR A 44 18.133 -8.054 0.130 1.00 1.00 C ATOM 0 H THR A 44 18.588 -4.152 0.638 1.00 1.00 H new ATOM 0 HA THR A 44 16.762 -5.866 -0.706 1.00 1.00 H new ATOM 0 HB THR A 44 18.898 -6.468 1.355 1.00 1.00 H new ATOM 0 HG1 THR A 44 20.214 -6.753 -0.559 1.00 1.00 H new ATOM 0 HG21 THR A 44 19.039 -8.656 0.199 1.00 1.00 H new ATOM 0 HG22 THR A 44 17.422 -8.382 0.888 1.00 1.00 H new ATOM 0 HG23 THR A 44 17.691 -8.176 -0.859 1.00 1.00 H new ATOM 745 N ARG A 45 16.390 -5.664 2.597 1.00 1.00 N ATOM 746 CA ARG A 45 15.374 -5.917 3.604 1.00 1.00 C ATOM 747 C ARG A 45 14.070 -5.273 3.222 1.00 1.00 C ATOM 748 O ARG A 45 13.042 -5.845 3.531 1.00 1.00 O ATOM 749 CB ARG A 45 15.808 -5.377 4.960 1.00 1.00 C ATOM 750 CG ARG A 45 14.739 -5.551 6.058 1.00 1.00 C ATOM 751 CD ARG A 45 14.143 -6.956 6.289 1.00 1.00 C ATOM 752 NE ARG A 45 15.134 -8.038 6.208 1.00 1.00 N ATOM 753 CZ ARG A 45 14.868 -9.346 6.096 1.00 1.00 C ATOM 754 NH1 ARG A 45 13.630 -9.825 6.199 1.00 1.00 N ATOM 755 NH2 ARG A 45 15.851 -10.203 5.859 1.00 1.00 N ATOM 0 H ARG A 45 17.217 -5.168 2.928 1.00 1.00 H new ATOM 0 HA ARG A 45 15.242 -6.997 3.668 1.00 1.00 H new ATOM 0 HB2 ARG A 45 16.722 -5.884 5.269 1.00 1.00 H new ATOM 0 HB3 ARG A 45 16.048 -4.318 4.861 1.00 1.00 H new ATOM 0 HG2 ARG A 45 15.174 -5.216 7.000 1.00 1.00 H new ATOM 0 HG3 ARG A 45 13.915 -4.875 5.829 1.00 1.00 H new ATOM 0 HD2 ARG A 45 13.668 -6.983 7.270 1.00 1.00 H new ATOM 0 HD3 ARG A 45 13.361 -7.135 5.551 1.00 1.00 H new ATOM 0 HE ARG A 45 16.117 -7.768 6.240 1.00 1.00 H new ATOM 0 HH11 ARG A 45 12.850 -9.190 6.368 1.00 1.00 H new ATOM 0 HH12 ARG A 45 13.462 -10.827 6.109 1.00 1.00 H new ATOM 0 HH21 ARG A 45 16.809 -9.866 5.762 1.00 1.00 H new ATOM 0 HH22 ARG A 45 15.650 -11.199 5.774 1.00 1.00 H new ATOM 769 N PHE A 46 14.095 -4.124 2.570 1.00 1.00 N ATOM 770 CA PHE A 46 12.884 -3.447 2.164 1.00 1.00 C ATOM 771 C PHE A 46 12.051 -4.386 1.314 1.00 1.00 C ATOM 772 O PHE A 46 10.924 -4.682 1.692 1.00 1.00 O ATOM 773 CB PHE A 46 13.208 -2.104 1.512 1.00 1.00 C ATOM 774 CG PHE A 46 12.326 -1.673 0.367 1.00 1.00 C ATOM 775 CD1 PHE A 46 11.123 -1.007 0.654 1.00 1.00 C ATOM 776 CD2 PHE A 46 12.770 -1.805 -0.968 1.00 1.00 C ATOM 777 CE1 PHE A 46 10.403 -0.400 -0.380 1.00 1.00 C ATOM 778 CE2 PHE A 46 12.054 -1.167 -1.989 1.00 1.00 C ATOM 779 CZ PHE A 46 10.886 -0.456 -1.688 1.00 1.00 C ATOM 0 H PHE A 46 14.953 -3.639 2.310 1.00 1.00 H new ATOM 0 HA PHE A 46 12.272 -3.192 3.029 1.00 1.00 H new ATOM 0 HB2 PHE A 46 13.166 -1.334 2.282 1.00 1.00 H new ATOM 0 HB3 PHE A 46 14.237 -2.140 1.153 1.00 1.00 H new ATOM 0 HD1 PHE A 46 10.756 -0.964 1.669 1.00 1.00 H new ATOM 0 HD2 PHE A 46 13.649 -2.389 -1.198 1.00 1.00 H new ATOM 0 HE1 PHE A 46 9.476 0.111 -0.167 1.00 1.00 H new ATOM 0 HE2 PHE A 46 12.403 -1.224 -3.009 1.00 1.00 H new ATOM 0 HZ PHE A 46 10.353 0.055 -2.477 1.00 1.00 H new ATOM 789 N GLN A 47 12.624 -4.958 0.257 1.00 1.00 N ATOM 790 CA GLN A 47 11.873 -5.906 -0.562 1.00 1.00 C ATOM 791 C GLN A 47 11.479 -7.161 0.226 1.00 1.00 C ATOM 792 O GLN A 47 10.438 -7.747 -0.077 1.00 1.00 O ATOM 793 CB GLN A 47 12.686 -6.269 -1.811 1.00 1.00 C ATOM 794 CG GLN A 47 12.531 -5.221 -2.932 1.00 1.00 C ATOM 795 CD GLN A 47 13.832 -4.522 -3.294 1.00 1.00 C ATOM 796 OE1 GLN A 47 14.934 -5.021 -3.122 1.00 1.00 O ATOM 797 NE2 GLN A 47 13.747 -3.338 -3.868 1.00 1.00 N ATOM 0 H GLN A 47 13.582 -4.787 -0.047 1.00 1.00 H new ATOM 0 HA GLN A 47 10.944 -5.427 -0.869 1.00 1.00 H new ATOM 0 HB2 GLN A 47 13.739 -6.359 -1.544 1.00 1.00 H new ATOM 0 HB3 GLN A 47 12.366 -7.243 -2.180 1.00 1.00 H new ATOM 0 HG2 GLN A 47 12.130 -5.708 -3.821 1.00 1.00 H new ATOM 0 HG3 GLN A 47 11.801 -4.474 -2.621 1.00 1.00 H new ATOM 0 HE21 GLN A 47 12.834 -2.909 -4.018 1.00 1.00 H new ATOM 0 HE22 GLN A 47 14.594 -2.852 -4.162 1.00 1.00 H new ATOM 806 N ASN A 48 12.243 -7.571 1.243 1.00 1.00 N ATOM 807 CA ASN A 48 11.875 -8.736 2.047 1.00 1.00 C ATOM 808 C ASN A 48 10.735 -8.418 3.009 1.00 1.00 C ATOM 809 O ASN A 48 9.832 -9.228 3.159 1.00 1.00 O ATOM 810 CB ASN A 48 13.075 -9.279 2.831 1.00 1.00 C ATOM 811 CG ASN A 48 13.981 -10.129 1.960 1.00 1.00 C ATOM 812 OD1 ASN A 48 14.012 -11.344 2.109 1.00 1.00 O ATOM 813 ND2 ASN A 48 14.729 -9.543 1.044 1.00 1.00 N ATOM 0 H ASN A 48 13.112 -7.117 1.526 1.00 1.00 H new ATOM 0 HA ASN A 48 11.537 -9.502 1.349 1.00 1.00 H new ATOM 0 HB2 ASN A 48 13.645 -8.447 3.245 1.00 1.00 H new ATOM 0 HB3 ASN A 48 12.720 -9.872 3.674 1.00 1.00 H new ATOM 0 HD21 ASN A 48 15.341 -10.103 0.451 1.00 1.00 H new ATOM 0 HD22 ASN A 48 14.695 -8.530 0.929 1.00 1.00 H new ATOM 820 N ALA A 49 10.751 -7.255 3.653 1.00 1.00 N ATOM 821 CA ALA A 49 9.742 -6.789 4.589 1.00 1.00 C ATOM 822 C ALA A 49 8.449 -6.440 3.849 1.00 1.00 C ATOM 823 O ALA A 49 7.359 -6.715 4.340 1.00 1.00 O ATOM 824 CB ALA A 49 10.289 -5.578 5.344 1.00 1.00 C ATOM 0 H ALA A 49 11.507 -6.581 3.528 1.00 1.00 H new ATOM 0 HA ALA A 49 9.508 -7.578 5.304 1.00 1.00 H new ATOM 0 HB1 ALA A 49 9.539 -5.220 6.050 1.00 1.00 H new ATOM 0 HB2 ALA A 49 11.190 -5.864 5.886 1.00 1.00 H new ATOM 0 HB3 ALA A 49 10.528 -4.785 4.635 1.00 1.00 H new ATOM 830 N CYS A 50 8.574 -5.900 2.637 1.00 1.00 N ATOM 831 CA CYS A 50 7.464 -5.777 1.695 1.00 1.00 C ATOM 832 C CYS A 50 6.870 -7.158 1.375 1.00 1.00 C ATOM 833 O CYS A 50 5.655 -7.317 1.297 1.00 1.00 O ATOM 834 CB CYS A 50 7.947 -5.112 0.393 1.00 1.00 C ATOM 835 SG CYS A 50 8.360 -3.357 0.592 1.00 1.00 S ATOM 0 H CYS A 50 9.456 -5.533 2.279 1.00 1.00 H new ATOM 0 HA CYS A 50 6.693 -5.159 2.154 1.00 1.00 H new ATOM 0 HB2 CYS A 50 8.824 -5.645 0.025 1.00 1.00 H new ATOM 0 HB3 CYS A 50 7.172 -5.211 -0.367 1.00 1.00 H new ATOM 0 HG CYS A 50 9.538 -3.247 1.131 1.00 1.00 H new ATOM 841 N ARG A 51 7.713 -8.172 1.151 1.00 1.00 N ATOM 842 CA ARG A 51 7.275 -9.522 0.811 1.00 1.00 C ATOM 843 C ARG A 51 6.736 -10.223 2.050 1.00 1.00 C ATOM 844 O ARG A 51 5.898 -11.104 1.924 1.00 1.00 O ATOM 845 CB ARG A 51 8.437 -10.282 0.152 1.00 1.00 C ATOM 846 CG ARG A 51 8.074 -11.706 -0.286 1.00 1.00 C ATOM 847 CD ARG A 51 9.220 -12.281 -1.127 1.00 1.00 C ATOM 848 NE ARG A 51 9.149 -13.745 -1.282 1.00 1.00 N ATOM 849 CZ ARG A 51 10.212 -14.515 -1.572 1.00 1.00 C ATOM 850 NH1 ARG A 51 11.384 -13.954 -1.867 1.00 1.00 N ATOM 851 NH2 ARG A 51 10.131 -15.837 -1.567 1.00 1.00 N ATOM 0 H ARG A 51 8.727 -8.073 1.202 1.00 1.00 H new ATOM 0 HA ARG A 51 6.457 -9.487 0.091 1.00 1.00 H new ATOM 0 HB2 ARG A 51 8.780 -9.721 -0.717 1.00 1.00 H new ATOM 0 HB3 ARG A 51 9.272 -10.328 0.851 1.00 1.00 H new ATOM 0 HG2 ARG A 51 7.897 -12.334 0.587 1.00 1.00 H new ATOM 0 HG3 ARG A 51 7.151 -11.697 -0.865 1.00 1.00 H new ATOM 0 HD2 ARG A 51 9.207 -11.817 -2.113 1.00 1.00 H new ATOM 0 HD3 ARG A 51 10.170 -12.017 -0.663 1.00 1.00 H new ATOM 0 HE ARG A 51 8.243 -14.199 -1.163 1.00 1.00 H new ATOM 0 HH11 ARG A 51 11.476 -12.938 -1.873 1.00 1.00 H new ATOM 0 HH12 ARG A 51 12.189 -14.540 -2.087 1.00 1.00 H new ATOM 0 HH21 ARG A 51 9.247 -16.293 -1.340 1.00 1.00 H new ATOM 0 HH22 ARG A 51 10.952 -16.399 -1.791 1.00 1.00 H new ATOM 865 N ASP A 52 7.150 -9.818 3.248 1.00 1.00 N ATOM 866 CA ASP A 52 6.552 -10.223 4.514 1.00 1.00 C ATOM 867 C ASP A 52 5.060 -9.888 4.515 1.00 1.00 C ATOM 868 O ASP A 52 4.264 -10.617 5.110 1.00 1.00 O ATOM 869 CB ASP A 52 7.278 -9.539 5.682 1.00 1.00 C ATOM 870 CG ASP A 52 7.675 -10.495 6.799 1.00 1.00 C ATOM 871 OD1 ASP A 52 6.888 -11.406 7.125 1.00 1.00 O ATOM 872 OD2 ASP A 52 8.814 -10.347 7.306 1.00 1.00 O ATOM 0 H ASP A 52 7.936 -9.179 3.366 1.00 1.00 H new ATOM 0 HA ASP A 52 6.658 -11.301 4.637 1.00 1.00 H new ATOM 0 HB2 ASP A 52 8.173 -9.045 5.303 1.00 1.00 H new ATOM 0 HB3 ASP A 52 6.634 -8.761 6.093 1.00 1.00 H new ATOM 877 N GLY A 53 4.662 -8.838 3.788 1.00 1.00 N ATOM 878 CA GLY A 53 3.289 -8.401 3.653 1.00 1.00 C ATOM 879 C GLY A 53 3.229 -6.975 4.157 1.00 1.00 C ATOM 880 O GLY A 53 3.965 -6.130 3.651 1.00 1.00 O ATOM 0 H GLY A 53 5.317 -8.257 3.264 1.00 1.00 H new ATOM 0 HA2 GLY A 53 2.967 -8.457 2.613 1.00 1.00 H new ATOM 0 HA3 GLY A 53 2.621 -9.042 4.229 1.00 1.00 H new ATOM 884 N ARG A 54 2.356 -6.694 5.130 1.00 1.00 N ATOM 885 CA ARG A 54 2.052 -5.339 5.587 1.00 1.00 C ATOM 886 C ARG A 54 3.317 -4.589 5.970 1.00 1.00 C ATOM 887 O ARG A 54 4.351 -5.184 6.280 1.00 1.00 O ATOM 888 CB ARG A 54 0.992 -5.359 6.714 1.00 1.00 C ATOM 889 CG ARG A 54 1.291 -6.175 7.988 1.00 1.00 C ATOM 890 CD ARG A 54 1.943 -5.394 9.137 1.00 1.00 C ATOM 891 NE ARG A 54 3.359 -5.113 8.873 1.00 1.00 N ATOM 892 CZ ARG A 54 4.173 -4.335 9.589 1.00 1.00 C ATOM 893 NH1 ARG A 54 3.754 -3.707 10.677 1.00 1.00 N ATOM 894 NH2 ARG A 54 5.430 -4.181 9.204 1.00 1.00 N ATOM 0 H ARG A 54 1.834 -7.415 5.628 1.00 1.00 H new ATOM 0 HA ARG A 54 1.611 -4.785 4.758 1.00 1.00 H new ATOM 0 HB2 ARG A 54 0.809 -4.328 7.016 1.00 1.00 H new ATOM 0 HB3 ARG A 54 0.062 -5.737 6.289 1.00 1.00 H new ATOM 0 HG2 ARG A 54 0.357 -6.606 8.349 1.00 1.00 H new ATOM 0 HG3 ARG A 54 1.944 -7.006 7.721 1.00 1.00 H new ATOM 0 HD2 ARG A 54 1.409 -4.456 9.288 1.00 1.00 H new ATOM 0 HD3 ARG A 54 1.852 -5.965 10.061 1.00 1.00 H new ATOM 0 HE ARG A 54 3.766 -5.562 8.052 1.00 1.00 H new ATOM 0 HH11 ARG A 54 2.788 -3.812 10.986 1.00 1.00 H new ATOM 0 HH12 ARG A 54 4.398 -3.118 11.206 1.00 1.00 H new ATOM 0 HH21 ARG A 54 5.769 -4.655 8.367 1.00 1.00 H new ATOM 0 HH22 ARG A 54 6.060 -3.588 9.745 1.00 1.00 H new ATOM 908 N SER A 55 3.231 -3.271 6.000 1.00 1.00 N ATOM 909 CA SER A 55 4.353 -2.434 6.365 1.00 1.00 C ATOM 910 C SER A 55 3.841 -1.074 6.836 1.00 1.00 C ATOM 911 O SER A 55 2.690 -0.952 7.245 1.00 1.00 O ATOM 912 CB SER A 55 5.308 -2.352 5.169 1.00 1.00 C ATOM 913 OG SER A 55 6.575 -2.803 5.607 1.00 1.00 O ATOM 0 H SER A 55 2.382 -2.754 5.772 1.00 1.00 H new ATOM 0 HA SER A 55 4.915 -2.855 7.199 1.00 1.00 H new ATOM 0 HB2 SER A 55 4.945 -2.967 4.346 1.00 1.00 H new ATOM 0 HB3 SER A 55 5.372 -1.329 4.798 1.00 1.00 H new ATOM 0 HG SER A 55 7.232 -2.679 4.891 1.00 1.00 H new ATOM 919 N GLU A 56 4.689 -0.052 6.799 1.00 1.00 N ATOM 920 CA GLU A 56 4.387 1.307 7.189 1.00 1.00 C ATOM 921 C GLU A 56 5.049 2.169 6.141 1.00 1.00 C ATOM 922 O GLU A 56 6.268 2.060 5.944 1.00 1.00 O ATOM 923 CB GLU A 56 4.938 1.583 8.587 1.00 1.00 C ATOM 924 CG GLU A 56 3.821 1.510 9.626 1.00 1.00 C ATOM 925 CD GLU A 56 4.421 1.507 11.022 1.00 1.00 C ATOM 926 OE1 GLU A 56 4.727 2.592 11.564 1.00 1.00 O ATOM 927 OE2 GLU A 56 4.634 0.391 11.561 1.00 1.00 O ATOM 0 H GLU A 56 5.651 -0.162 6.479 1.00 1.00 H new ATOM 0 HA GLU A 56 3.317 1.507 7.241 1.00 1.00 H new ATOM 0 HB2 GLU A 56 5.715 0.857 8.828 1.00 1.00 H new ATOM 0 HB3 GLU A 56 5.403 2.568 8.613 1.00 1.00 H new ATOM 0 HG2 GLU A 56 3.148 2.359 9.511 1.00 1.00 H new ATOM 0 HG3 GLU A 56 3.227 0.609 9.473 1.00 1.00 H new ATOM 934 N ILE A 57 4.236 2.946 5.431 1.00 1.00 N ATOM 935 CA ILE A 57 4.753 3.932 4.482 1.00 1.00 C ATOM 936 C ILE A 57 4.087 5.265 4.831 1.00 1.00 C ATOM 937 O ILE A 57 2.972 5.291 5.346 1.00 1.00 O ATOM 938 CB ILE A 57 4.605 3.454 3.004 1.00 1.00 C ATOM 939 CG1 ILE A 57 5.283 2.073 2.802 1.00 1.00 C ATOM 940 CG2 ILE A 57 5.228 4.486 2.045 1.00 1.00 C ATOM 941 CD1 ILE A 57 5.392 1.573 1.350 1.00 1.00 C ATOM 0 H ILE A 57 3.218 2.914 5.493 1.00 1.00 H new ATOM 0 HA ILE A 57 5.831 4.065 4.568 1.00 1.00 H new ATOM 0 HB ILE A 57 3.542 3.356 2.783 1.00 1.00 H new ATOM 0 HG12 ILE A 57 6.287 2.120 3.224 1.00 1.00 H new ATOM 0 HG13 ILE A 57 4.729 1.332 3.378 1.00 1.00 H new ATOM 0 HG21 ILE A 57 5.118 4.140 1.017 1.00 1.00 H new ATOM 0 HG22 ILE A 57 4.721 5.444 2.162 1.00 1.00 H new ATOM 0 HG23 ILE A 57 6.286 4.605 2.276 1.00 1.00 H new ATOM 0 HD11 ILE A 57 5.883 0.600 1.336 1.00 1.00 H new ATOM 0 HD12 ILE A 57 4.394 1.483 0.920 1.00 1.00 H new ATOM 0 HD13 ILE A 57 5.976 2.282 0.764 1.00 1.00 H new ATOM 953 N ALA A 58 4.757 6.385 4.580 1.00 1.00 N ATOM 954 CA ALA A 58 4.262 7.710 4.896 1.00 1.00 C ATOM 955 C ALA A 58 4.332 8.610 3.682 1.00 1.00 C ATOM 956 O ALA A 58 5.027 8.313 2.712 1.00 1.00 O ATOM 957 CB ALA A 58 5.053 8.318 6.056 1.00 1.00 C ATOM 0 H ALA A 58 5.678 6.391 4.142 1.00 1.00 H new ATOM 0 HA ALA A 58 3.219 7.620 5.198 1.00 1.00 H new ATOM 0 HB1 ALA A 58 4.666 9.313 6.278 1.00 1.00 H new ATOM 0 HB2 ALA A 58 4.952 7.684 6.937 1.00 1.00 H new ATOM 0 HB3 ALA A 58 6.105 8.391 5.780 1.00 1.00 H new ATOM 963 N PHE A 59 3.652 9.751 3.762 1.00 1.00 N ATOM 964 CA PHE A 59 3.714 10.770 2.731 1.00 1.00 C ATOM 965 C PHE A 59 4.567 11.931 3.200 1.00 1.00 C ATOM 966 O PHE A 59 4.455 12.351 4.355 1.00 1.00 O ATOM 967 CB PHE A 59 2.289 11.255 2.370 1.00 1.00 C ATOM 968 CG PHE A 59 1.557 10.296 1.477 1.00 1.00 C ATOM 969 CD1 PHE A 59 1.008 9.112 2.005 1.00 1.00 C ATOM 970 CD2 PHE A 59 1.430 10.607 0.114 1.00 1.00 C ATOM 971 CE1 PHE A 59 0.366 8.219 1.115 1.00 1.00 C ATOM 972 CE2 PHE A 59 0.799 9.712 -0.755 1.00 1.00 C ATOM 973 CZ PHE A 59 0.282 8.505 -0.259 1.00 1.00 C ATOM 0 H PHE A 59 3.044 9.990 4.545 1.00 1.00 H new ATOM 0 HA PHE A 59 4.168 10.342 1.838 1.00 1.00 H new ATOM 0 HB2 PHE A 59 1.717 11.400 3.286 1.00 1.00 H new ATOM 0 HB3 PHE A 59 2.354 12.225 1.878 1.00 1.00 H new ATOM 0 HD1 PHE A 59 1.075 8.892 3.060 1.00 1.00 H new ATOM 0 HD2 PHE A 59 1.821 11.540 -0.264 1.00 1.00 H new ATOM 0 HE1 PHE A 59 -0.065 7.305 1.496 1.00 1.00 H new ATOM 0 HE2 PHE A 59 0.710 9.949 -1.805 1.00 1.00 H new ATOM 0 HZ PHE A 59 -0.180 7.797 -0.932 1.00 1.00 H new ATOM 983 N VAL A 60 5.362 12.498 2.293 1.00 1.00 N ATOM 984 CA VAL A 60 6.039 13.765 2.536 1.00 1.00 C ATOM 985 C VAL A 60 4.989 14.868 2.569 1.00 1.00 C ATOM 986 O VAL A 60 4.936 15.631 3.530 1.00 1.00 O ATOM 987 CB VAL A 60 7.109 14.049 1.459 1.00 1.00 C ATOM 988 CG1 VAL A 60 7.832 15.374 1.735 1.00 1.00 C ATOM 989 CG2 VAL A 60 8.151 12.925 1.383 1.00 1.00 C ATOM 0 H VAL A 60 5.552 12.093 1.376 1.00 1.00 H new ATOM 0 HA VAL A 60 6.562 13.721 3.491 1.00 1.00 H new ATOM 0 HB VAL A 60 6.583 14.110 0.506 1.00 1.00 H new ATOM 0 HG11 VAL A 60 8.580 15.549 0.961 1.00 1.00 H new ATOM 0 HG12 VAL A 60 7.110 16.190 1.732 1.00 1.00 H new ATOM 0 HG13 VAL A 60 8.321 15.326 2.708 1.00 1.00 H new ATOM 0 HG21 VAL A 60 8.886 13.162 0.614 1.00 1.00 H new ATOM 0 HG22 VAL A 60 8.652 12.827 2.346 1.00 1.00 H new ATOM 0 HG23 VAL A 60 7.656 11.986 1.135 1.00 1.00 H new ATOM 999 N ALA A 61 4.148 14.926 1.532 1.00 1.00 N ATOM 1000 CA ALA A 61 3.370 16.110 1.199 1.00 1.00 C ATOM 1001 C ALA A 61 2.360 16.528 2.269 1.00 1.00 C ATOM 1002 O ALA A 61 1.890 17.667 2.244 1.00 1.00 O ATOM 1003 CB ALA A 61 2.662 15.869 -0.129 1.00 1.00 C ATOM 0 H ALA A 61 3.991 14.142 0.898 1.00 1.00 H new ATOM 0 HA ALA A 61 4.072 16.941 1.131 1.00 1.00 H new ATOM 0 HB1 ALA A 61 2.074 16.748 -0.393 1.00 1.00 H new ATOM 0 HB2 ALA A 61 3.402 15.681 -0.907 1.00 1.00 H new ATOM 0 HB3 ALA A 61 2.003 15.006 -0.038 1.00 1.00 H new ATOM 1009 N THR A 62 2.005 15.632 3.187 1.00 1.00 N ATOM 1010 CA THR A 62 1.102 15.899 4.275 1.00 1.00 C ATOM 1011 C THR A 62 1.630 15.318 5.593 1.00 1.00 C ATOM 1012 O THR A 62 1.257 15.828 6.648 1.00 1.00 O ATOM 1013 CB THR A 62 -0.244 15.309 3.847 1.00 1.00 C ATOM 1014 OG1 THR A 62 -0.732 15.995 2.711 1.00 1.00 O ATOM 1015 CG2 THR A 62 -1.280 15.407 4.947 1.00 1.00 C ATOM 0 H THR A 62 2.355 14.674 3.183 1.00 1.00 H new ATOM 0 HA THR A 62 0.998 16.966 4.473 1.00 1.00 H new ATOM 0 HB THR A 62 -0.075 14.257 3.619 1.00 1.00 H new ATOM 0 HG1 THR A 62 -1.235 15.373 2.144 1.00 1.00 H new ATOM 0 HG21 THR A 62 -2.220 14.977 4.601 1.00 1.00 H new ATOM 0 HG22 THR A 62 -0.932 14.861 5.824 1.00 1.00 H new ATOM 0 HG23 THR A 62 -1.435 16.454 5.209 1.00 1.00 H new ATOM 1023 N GLY A 63 2.498 14.294 5.577 1.00 1.00 N ATOM 1024 CA GLY A 63 2.827 13.572 6.791 1.00 1.00 C ATOM 1025 C GLY A 63 1.634 12.751 7.249 1.00 1.00 C ATOM 1026 O GLY A 63 0.877 13.154 8.132 1.00 1.00 O ATOM 0 H GLY A 63 2.974 13.959 4.740 1.00 1.00 H new ATOM 0 HA2 GLY A 63 3.682 12.919 6.615 1.00 1.00 H new ATOM 0 HA3 GLY A 63 3.118 14.273 7.573 1.00 1.00 H new ATOM 1030 N THR A 64 1.432 11.587 6.644 1.00 1.00 N ATOM 1031 CA THR A 64 0.600 10.560 7.245 1.00 1.00 C ATOM 1032 C THR A 64 1.347 9.254 7.023 1.00 1.00 C ATOM 1033 O THR A 64 1.429 8.806 5.881 1.00 1.00 O ATOM 1034 CB THR A 64 -0.799 10.642 6.616 1.00 1.00 C ATOM 1035 OG1 THR A 64 -1.522 11.706 7.208 1.00 1.00 O ATOM 1036 CG2 THR A 64 -1.628 9.360 6.717 1.00 1.00 C ATOM 0 H THR A 64 1.833 11.334 5.741 1.00 1.00 H new ATOM 0 HA THR A 64 0.430 10.668 8.316 1.00 1.00 H new ATOM 0 HB THR A 64 -0.630 10.809 5.552 1.00 1.00 H new ATOM 0 HG1 THR A 64 -0.896 12.339 7.618 1.00 1.00 H new ATOM 0 HG21 THR A 64 -2.598 9.516 6.245 1.00 1.00 H new ATOM 0 HG22 THR A 64 -1.105 8.548 6.212 1.00 1.00 H new ATOM 0 HG23 THR A 64 -1.772 9.101 7.766 1.00 1.00 H new ATOM 1044 N ASN A 65 1.959 8.722 8.085 1.00 1.00 N ATOM 1045 CA ASN A 65 2.403 7.351 8.209 1.00 1.00 C ATOM 1046 C ASN A 65 1.164 6.486 8.325 1.00 1.00 C ATOM 1047 O ASN A 65 0.430 6.594 9.314 1.00 1.00 O ATOM 1048 CB ASN A 65 3.314 7.152 9.430 1.00 1.00 C ATOM 1049 CG ASN A 65 3.722 5.689 9.601 1.00 1.00 C ATOM 1050 OD1 ASN A 65 3.930 4.978 8.625 1.00 1.00 O ATOM 1051 ND2 ASN A 65 3.906 5.237 10.829 1.00 1.00 N ATOM 0 H ASN A 65 2.164 9.273 8.918 1.00 1.00 H new ATOM 0 HA ASN A 65 2.994 7.076 7.336 1.00 1.00 H new ATOM 0 HB2 ASN A 65 4.207 7.768 9.322 1.00 1.00 H new ATOM 0 HB3 ASN A 65 2.798 7.493 10.328 1.00 1.00 H new ATOM 0 HD21 ASN A 65 4.227 4.280 10.978 1.00 1.00 H new ATOM 0 HD22 ASN A 65 3.727 5.845 11.628 1.00 1.00 H new ATOM 1058 N LEU A 66 0.909 5.692 7.296 1.00 1.00 N ATOM 1059 CA LEU A 66 -0.189 4.755 7.244 1.00 1.00 C ATOM 1060 C LEU A 66 0.387 3.367 7.078 1.00 1.00 C ATOM 1061 O LEU A 66 1.386 3.152 6.384 1.00 1.00 O ATOM 1062 CB LEU A 66 -1.291 5.229 6.296 1.00 1.00 C ATOM 1063 CG LEU A 66 -1.245 4.938 4.796 1.00 1.00 C ATOM 1064 CD1 LEU A 66 -0.039 5.522 4.068 1.00 1.00 C ATOM 1065 CD2 LEU A 66 -1.377 3.441 4.560 1.00 1.00 C ATOM 0 H LEU A 66 1.481 5.686 6.452 1.00 1.00 H new ATOM 0 HA LEU A 66 -0.753 4.700 8.175 1.00 1.00 H new ATOM 0 HB2 LEU A 66 -2.227 4.814 6.669 1.00 1.00 H new ATOM 0 HB3 LEU A 66 -1.356 6.312 6.405 1.00 1.00 H new ATOM 0 HG LEU A 66 -2.096 5.457 4.355 1.00 1.00 H new ATOM 0 HD11 LEU A 66 -0.093 5.264 3.010 1.00 1.00 H new ATOM 0 HD12 LEU A 66 -0.038 6.606 4.177 1.00 1.00 H new ATOM 0 HD13 LEU A 66 0.877 5.113 4.495 1.00 1.00 H new ATOM 0 HD21 LEU A 66 -1.344 3.237 3.490 1.00 1.00 H new ATOM 0 HD22 LEU A 66 -0.556 2.921 5.054 1.00 1.00 H new ATOM 0 HD23 LEU A 66 -2.326 3.091 4.967 1.00 1.00 H new ATOM 1077 N SER A 67 -0.223 2.411 7.766 1.00 1.00 N ATOM 1078 CA SER A 67 0.279 1.068 7.751 1.00 1.00 C ATOM 1079 C SER A 67 -0.168 0.518 6.412 1.00 1.00 C ATOM 1080 O SER A 67 -1.374 0.415 6.152 1.00 1.00 O ATOM 1081 CB SER A 67 -0.318 0.250 8.901 1.00 1.00 C ATOM 1082 OG SER A 67 -0.762 1.049 9.986 1.00 1.00 O ATOM 0 H SER A 67 -1.059 2.551 8.333 1.00 1.00 H new ATOM 0 HA SER A 67 1.361 1.026 7.879 1.00 1.00 H new ATOM 0 HB2 SER A 67 -1.156 -0.336 8.524 1.00 1.00 H new ATOM 0 HB3 SER A 67 0.429 -0.457 9.261 1.00 1.00 H new ATOM 0 HG SER A 67 -1.133 0.473 10.686 1.00 1.00 H new ATOM 1088 N LEU A 68 0.789 0.241 5.539 1.00 1.00 N ATOM 1089 CA LEU A 68 0.487 -0.357 4.265 1.00 1.00 C ATOM 1090 C LEU A 68 0.148 -1.811 4.476 1.00 1.00 C ATOM 1091 O LEU A 68 0.720 -2.456 5.342 1.00 1.00 O ATOM 1092 CB LEU A 68 1.676 -0.257 3.309 1.00 1.00 C ATOM 1093 CG LEU A 68 1.471 0.761 2.186 1.00 1.00 C ATOM 1094 CD1 LEU A 68 2.371 0.328 1.040 1.00 1.00 C ATOM 1095 CD2 LEU A 68 0.048 0.857 1.648 1.00 1.00 C ATOM 0 H LEU A 68 1.780 0.424 5.698 1.00 1.00 H new ATOM 0 HA LEU A 68 -0.355 0.177 3.824 1.00 1.00 H new ATOM 0 HB2 LEU A 68 2.567 0.014 3.876 1.00 1.00 H new ATOM 0 HB3 LEU A 68 1.863 -1.237 2.871 1.00 1.00 H new ATOM 0 HG LEU A 68 1.701 1.743 2.599 1.00 1.00 H new ATOM 0 HD11 LEU A 68 2.262 1.025 0.209 1.00 1.00 H new ATOM 0 HD12 LEU A 68 3.408 0.321 1.375 1.00 1.00 H new ATOM 0 HD13 LEU A 68 2.089 -0.673 0.714 1.00 1.00 H new ATOM 0 HD21 LEU A 68 0.008 1.605 0.857 1.00 1.00 H new ATOM 0 HD22 LEU A 68 -0.256 -0.110 1.248 1.00 1.00 H new ATOM 0 HD23 LEU A 68 -0.627 1.145 2.454 1.00 1.00 H new ATOM 1107 N GLN A 69 -0.787 -2.346 3.707 1.00 1.00 N ATOM 1108 CA GLN A 69 -1.348 -3.654 3.984 1.00 1.00 C ATOM 1109 C GLN A 69 -1.524 -4.361 2.642 1.00 1.00 C ATOM 1110 O GLN A 69 -2.500 -4.117 1.941 1.00 1.00 O ATOM 1111 CB GLN A 69 -2.669 -3.458 4.757 1.00 1.00 C ATOM 1112 CG GLN A 69 -2.447 -2.786 6.122 1.00 1.00 C ATOM 1113 CD GLN A 69 -3.721 -2.242 6.754 1.00 1.00 C ATOM 1114 OE1 GLN A 69 -4.455 -2.962 7.425 1.00 1.00 O ATOM 1115 NE2 GLN A 69 -3.973 -0.950 6.611 1.00 1.00 N ATOM 0 H GLN A 69 -1.174 -1.889 2.881 1.00 1.00 H new ATOM 0 HA GLN A 69 -0.706 -4.276 4.609 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -3.350 -2.851 4.161 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -3.150 -4.425 4.904 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -1.995 -3.508 6.802 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -1.734 -1.970 6.003 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -3.351 -0.368 6.049 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -4.789 -0.537 7.062 1.00 1.00 H new ATOM 1124 N PHE A 70 -0.558 -5.182 2.225 1.00 1.00 N ATOM 1125 CA PHE A 70 -0.529 -5.798 0.893 1.00 1.00 C ATOM 1126 C PHE A 70 -1.415 -7.049 0.887 1.00 1.00 C ATOM 1127 O PHE A 70 -0.955 -8.141 0.535 1.00 1.00 O ATOM 1128 CB PHE A 70 0.917 -6.108 0.456 1.00 1.00 C ATOM 1129 CG PHE A 70 1.865 -4.928 0.530 1.00 1.00 C ATOM 1130 CD1 PHE A 70 2.347 -4.532 1.782 1.00 1.00 C ATOM 1131 CD2 PHE A 70 2.280 -4.230 -0.615 1.00 1.00 C ATOM 1132 CE1 PHE A 70 3.201 -3.435 1.915 1.00 1.00 C ATOM 1133 CE2 PHE A 70 3.179 -3.154 -0.499 1.00 1.00 C ATOM 1134 CZ PHE A 70 3.649 -2.758 0.767 1.00 1.00 C ATOM 0 H PHE A 70 0.237 -5.442 2.809 1.00 1.00 H new ATOM 0 HA PHE A 70 -0.929 -5.095 0.163 1.00 1.00 H new ATOM 0 HB2 PHE A 70 1.307 -6.911 1.081 1.00 1.00 H new ATOM 0 HB3 PHE A 70 0.901 -6.481 -0.568 1.00 1.00 H new ATOM 0 HD1 PHE A 70 2.053 -5.085 2.662 1.00 1.00 H new ATOM 0 HD2 PHE A 70 1.908 -4.520 -1.587 1.00 1.00 H new ATOM 0 HE1 PHE A 70 3.516 -3.108 2.895 1.00 1.00 H new ATOM 0 HE2 PHE A 70 3.509 -2.630 -1.384 1.00 1.00 H new ATOM 0 HZ PHE A 70 4.349 -1.940 0.856 1.00 1.00 H new ATOM 1144 N PHE A 71 -2.679 -6.874 1.285 1.00 1.00 N ATOM 1145 CA PHE A 71 -3.688 -7.896 1.528 1.00 1.00 C ATOM 1146 C PHE A 71 -4.797 -7.864 0.466 1.00 1.00 C ATOM 1147 O PHE A 71 -5.868 -7.277 0.647 1.00 1.00 O ATOM 1148 CB PHE A 71 -4.085 -7.929 3.012 1.00 1.00 C ATOM 1149 CG PHE A 71 -5.274 -7.112 3.481 1.00 1.00 C ATOM 1150 CD1 PHE A 71 -5.162 -5.713 3.554 1.00 1.00 C ATOM 1151 CD2 PHE A 71 -6.430 -7.738 3.980 1.00 1.00 C ATOM 1152 CE1 PHE A 71 -6.135 -4.952 4.218 1.00 1.00 C ATOM 1153 CE2 PHE A 71 -7.410 -6.980 4.645 1.00 1.00 C ATOM 1154 CZ PHE A 71 -7.237 -5.593 4.801 1.00 1.00 C ATOM 0 H PHE A 71 -3.047 -5.938 1.458 1.00 1.00 H new ATOM 0 HA PHE A 71 -3.278 -8.894 1.375 1.00 1.00 H new ATOM 0 HB2 PHE A 71 -4.277 -8.969 3.277 1.00 1.00 H new ATOM 0 HB3 PHE A 71 -3.218 -7.608 3.590 1.00 1.00 H new ATOM 0 HD1 PHE A 71 -4.319 -5.219 3.094 1.00 1.00 H new ATOM 0 HD2 PHE A 71 -6.565 -8.802 3.852 1.00 1.00 H new ATOM 0 HE1 PHE A 71 -6.036 -3.878 4.280 1.00 1.00 H new ATOM 0 HE2 PHE A 71 -8.294 -7.462 5.035 1.00 1.00 H new ATOM 0 HZ PHE A 71 -7.954 -5.021 5.371 1.00 1.00 H new ATOM 1164 N PRO A 72 -4.545 -8.496 -0.693 1.00 1.00 N ATOM 1165 CA PRO A 72 -5.610 -8.999 -1.535 1.00 1.00 C ATOM 1166 C PRO A 72 -6.359 -10.104 -0.789 1.00 1.00 C ATOM 1167 O PRO A 72 -5.982 -10.502 0.317 1.00 1.00 O ATOM 1168 CB PRO A 72 -4.930 -9.526 -2.795 1.00 1.00 C ATOM 1169 CG PRO A 72 -3.513 -9.859 -2.365 1.00 1.00 C ATOM 1170 CD PRO A 72 -3.267 -9.037 -1.117 1.00 1.00 C ATOM 0 HA PRO A 72 -6.343 -8.235 -1.793 1.00 1.00 H new ATOM 0 HB2 PRO A 72 -5.443 -10.407 -3.181 1.00 1.00 H new ATOM 0 HB3 PRO A 72 -4.937 -8.779 -3.589 1.00 1.00 H new ATOM 0 HG2 PRO A 72 -3.404 -10.924 -2.161 1.00 1.00 H new ATOM 0 HG3 PRO A 72 -2.796 -9.609 -3.147 1.00 1.00 H new ATOM 0 HD2 PRO A 72 -2.832 -9.654 -0.331 1.00 1.00 H new ATOM 0 HD3 PRO A 72 -2.559 -8.234 -1.320 1.00 1.00 H new ATOM 1178 N ALA A 73 -7.344 -10.693 -1.456 1.00 1.00 N ATOM 1179 CA ALA A 73 -7.919 -11.972 -1.051 1.00 1.00 C ATOM 1180 C ALA A 73 -6.955 -13.119 -1.390 1.00 1.00 C ATOM 1181 O ALA A 73 -7.328 -14.096 -2.039 1.00 1.00 O ATOM 1182 CB ALA A 73 -9.273 -12.129 -1.728 1.00 1.00 C ATOM 0 H ALA A 73 -7.768 -10.297 -2.295 1.00 1.00 H new ATOM 0 HA ALA A 73 -8.070 -12.002 0.028 1.00 1.00 H new ATOM 0 HB1 ALA A 73 -9.718 -13.081 -1.436 1.00 1.00 H new ATOM 0 HB2 ALA A 73 -9.929 -11.313 -1.423 1.00 1.00 H new ATOM 0 HB3 ALA A 73 -9.144 -12.106 -2.810 1.00 1.00 H new ATOM 1188 N SER A 74 -5.688 -12.958 -1.023 1.00 1.00 N ATOM 1189 CA SER A 74 -4.588 -13.883 -1.183 1.00 1.00 C ATOM 1190 C SER A 74 -3.754 -13.671 0.080 1.00 1.00 C ATOM 1191 O SER A 74 -2.753 -12.947 0.076 1.00 1.00 O ATOM 1192 CB SER A 74 -3.827 -13.590 -2.494 1.00 1.00 C ATOM 1193 OG SER A 74 -3.730 -14.726 -3.321 1.00 1.00 O ATOM 0 H SER A 74 -5.385 -12.098 -0.566 1.00 1.00 H new ATOM 0 HA SER A 74 -4.888 -14.927 -1.278 1.00 1.00 H new ATOM 0 HB2 SER A 74 -4.334 -12.791 -3.035 1.00 1.00 H new ATOM 0 HB3 SER A 74 -2.826 -13.229 -2.258 1.00 1.00 H new ATOM 0 HG SER A 74 -3.243 -14.494 -4.139 1.00 1.00 H new ATOM 1199 N TRP A 75 -4.238 -14.201 1.205 1.00 1.00 N ATOM 1200 CA TRP A 75 -3.467 -14.277 2.431 1.00 1.00 C ATOM 1201 C TRP A 75 -2.451 -15.412 2.327 1.00 1.00 C ATOM 1202 O TRP A 75 -2.532 -16.280 1.461 1.00 1.00 O ATOM 1203 CB TRP A 75 -4.405 -14.492 3.619 1.00 1.00 C ATOM 1204 CG TRP A 75 -5.245 -13.302 3.957 1.00 1.00 C ATOM 1205 CD1 TRP A 75 -6.252 -12.818 3.204 1.00 1.00 C ATOM 1206 CD2 TRP A 75 -5.124 -12.387 5.083 1.00 1.00 C ATOM 1207 NE1 TRP A 75 -6.834 -11.739 3.828 1.00 1.00 N ATOM 1208 CE2 TRP A 75 -6.173 -11.423 5.003 1.00 1.00 C ATOM 1209 CE3 TRP A 75 -4.217 -12.270 6.155 1.00 1.00 C ATOM 1210 CZ2 TRP A 75 -6.341 -10.434 5.986 1.00 1.00 C ATOM 1211 CZ3 TRP A 75 -4.350 -11.252 7.118 1.00 1.00 C ATOM 1212 CH2 TRP A 75 -5.422 -10.346 7.045 1.00 1.00 C ATOM 0 H TRP A 75 -5.178 -14.588 1.284 1.00 1.00 H new ATOM 0 HA TRP A 75 -2.928 -13.342 2.584 1.00 1.00 H new ATOM 0 HB2 TRP A 75 -5.060 -15.336 3.403 1.00 1.00 H new ATOM 0 HB3 TRP A 75 -3.812 -14.764 4.492 1.00 1.00 H new ATOM 0 HD1 TRP A 75 -6.558 -13.219 2.249 1.00 1.00 H new ATOM 0 HE1 TRP A 75 -7.647 -11.237 3.471 1.00 1.00 H new ATOM 0 HE3 TRP A 75 -3.404 -12.975 6.239 1.00 1.00 H new ATOM 0 HZ2 TRP A 75 -7.171 -9.746 5.928 1.00 1.00 H new ATOM 0 HZ3 TRP A 75 -3.626 -11.167 7.915 1.00 1.00 H new ATOM 0 HH2 TRP A 75 -5.539 -9.584 7.801 1.00 1.00 H new ATOM 1223 N GLN A 76 -1.453 -15.374 3.203 1.00 1.00 N ATOM 1224 CA GLN A 76 -0.407 -16.372 3.307 1.00 1.00 C ATOM 1225 C GLN A 76 -0.064 -16.718 4.758 1.00 1.00 C ATOM 1226 O GLN A 76 0.572 -17.745 4.984 1.00 1.00 O ATOM 1227 CB GLN A 76 0.842 -15.828 2.609 1.00 1.00 C ATOM 1228 CG GLN A 76 0.683 -15.734 1.085 1.00 1.00 C ATOM 1229 CD GLN A 76 0.232 -14.414 0.458 1.00 1.00 C ATOM 1230 OE1 GLN A 76 0.394 -14.205 -0.743 1.00 1.00 O ATOM 1231 NE2 GLN A 76 -0.260 -13.453 1.218 1.00 1.00 N ATOM 0 H GLN A 76 -1.351 -14.619 3.882 1.00 1.00 H new ATOM 0 HA GLN A 76 -0.764 -17.288 2.836 1.00 1.00 H new ATOM 0 HB2 GLN A 76 1.073 -14.840 3.007 1.00 1.00 H new ATOM 0 HB3 GLN A 76 1.691 -16.471 2.841 1.00 1.00 H new ATOM 0 HG2 GLN A 76 1.642 -15.997 0.639 1.00 1.00 H new ATOM 0 HG3 GLN A 76 -0.030 -16.501 0.782 1.00 1.00 H new ATOM 0 HE21 GLN A 76 -0.400 -13.613 2.216 1.00 1.00 H new ATOM 0 HE22 GLN A 76 -0.501 -12.551 0.807 1.00 1.00 H new ATOM 1240 N GLY A 77 -0.424 -15.858 5.712 1.00 1.00 N ATOM 1241 CA GLY A 77 0.047 -15.821 7.081 1.00 1.00 C ATOM 1242 C GLY A 77 0.856 -14.543 7.157 1.00 1.00 C ATOM 1243 O GLY A 77 0.411 -13.499 7.623 1.00 1.00 O ATOM 0 H GLY A 77 -1.102 -15.119 5.526 1.00 1.00 H new ATOM 0 HA2 GLY A 77 -0.782 -15.811 7.788 1.00 1.00 H new ATOM 0 HA3 GLY A 77 0.656 -16.693 7.317 1.00 1.00 H new ATOM 1247 N GLU A 78 2.019 -14.631 6.539 1.00 1.00 N ATOM 1248 CA GLU A 78 3.062 -13.639 6.359 1.00 1.00 C ATOM 1249 C GLU A 78 3.989 -14.231 5.282 1.00 1.00 C ATOM 1250 O GLU A 78 3.743 -15.363 4.842 1.00 1.00 O ATOM 1251 CB GLU A 78 3.760 -13.420 7.719 1.00 1.00 C ATOM 1252 CG GLU A 78 3.554 -11.973 8.186 1.00 1.00 C ATOM 1253 CD GLU A 78 3.753 -11.702 9.680 1.00 1.00 C ATOM 1254 OE1 GLU A 78 4.091 -12.612 10.470 1.00 1.00 O ATOM 1255 OE2 GLU A 78 3.494 -10.542 10.088 1.00 1.00 O ATOM 0 H GLU A 78 2.287 -15.510 6.096 1.00 1.00 H new ATOM 0 HA GLU A 78 2.708 -12.660 6.037 1.00 1.00 H new ATOM 0 HB2 GLU A 78 3.357 -14.111 8.460 1.00 1.00 H new ATOM 0 HB3 GLU A 78 4.825 -13.634 7.629 1.00 1.00 H new ATOM 0 HG2 GLU A 78 4.239 -11.334 7.629 1.00 1.00 H new ATOM 0 HG3 GLU A 78 2.543 -11.668 7.916 1.00 1.00 H new ATOM 1262 N GLN A 79 5.040 -13.517 4.867 1.00 1.00 N ATOM 1263 CA GLN A 79 6.015 -13.974 3.869 1.00 1.00 C ATOM 1264 C GLN A 79 5.317 -14.493 2.613 1.00 1.00 C ATOM 1265 O GLN A 79 5.266 -15.693 2.339 1.00 1.00 O ATOM 1266 CB GLN A 79 7.011 -14.960 4.485 1.00 1.00 C ATOM 1267 CG GLN A 79 8.062 -14.176 5.278 1.00 1.00 C ATOM 1268 CD GLN A 79 9.340 -13.947 4.479 1.00 1.00 C ATOM 1269 OE1 GLN A 79 10.267 -14.749 4.569 1.00 1.00 O ATOM 1270 NE2 GLN A 79 9.433 -12.880 3.699 1.00 1.00 N ATOM 0 H GLN A 79 5.242 -12.583 5.224 1.00 1.00 H new ATOM 0 HA GLN A 79 6.611 -13.123 3.540 1.00 1.00 H new ATOM 0 HB2 GLN A 79 6.492 -15.661 5.138 1.00 1.00 H new ATOM 0 HB3 GLN A 79 7.491 -15.549 3.703 1.00 1.00 H new ATOM 0 HG2 GLN A 79 7.645 -13.214 5.576 1.00 1.00 H new ATOM 0 HG3 GLN A 79 8.301 -14.717 6.194 1.00 1.00 H new ATOM 0 HE21 GLN A 79 8.654 -12.225 3.636 1.00 1.00 H new ATOM 0 HE22 GLN A 79 10.284 -12.714 3.161 1.00 1.00 H new ATOM 1279 N ARG A 80 4.728 -13.567 1.858 1.00 1.00 N ATOM 1280 CA ARG A 80 4.100 -13.865 0.584 1.00 1.00 C ATOM 1281 C ARG A 80 4.975 -14.627 -0.407 1.00 1.00 C ATOM 1282 O ARG A 80 6.126 -14.271 -0.659 1.00 1.00 O ATOM 1283 CB ARG A 80 3.434 -12.660 -0.091 1.00 1.00 C ATOM 1284 CG ARG A 80 2.712 -11.617 0.788 1.00 1.00 C ATOM 1285 CD ARG A 80 1.805 -10.690 -0.052 1.00 1.00 C ATOM 1286 NE ARG A 80 0.929 -11.458 -0.962 1.00 1.00 N ATOM 1287 CZ ARG A 80 0.028 -11.029 -1.847 1.00 1.00 C ATOM 1288 NH1 ARG A 80 -0.285 -9.740 -1.919 1.00 1.00 N ATOM 1289 NH2 ARG A 80 -0.536 -11.912 -2.667 1.00 1.00 N ATOM 0 H ARG A 80 4.676 -12.583 2.121 1.00 1.00 H new ATOM 0 HA ARG A 80 3.304 -14.549 0.879 1.00 1.00 H new ATOM 0 HB2 ARG A 80 4.201 -12.136 -0.661 1.00 1.00 H new ATOM 0 HB3 ARG A 80 2.710 -13.044 -0.809 1.00 1.00 H new ATOM 0 HG2 ARG A 80 2.112 -12.128 1.541 1.00 1.00 H new ATOM 0 HG3 ARG A 80 3.450 -11.018 1.322 1.00 1.00 H new ATOM 0 HD2 ARG A 80 1.193 -10.080 0.613 1.00 1.00 H new ATOM 0 HD3 ARG A 80 2.423 -10.006 -0.634 1.00 1.00 H new ATOM 0 HE ARG A 80 1.029 -12.471 -0.904 1.00 1.00 H new ATOM 0 HH11 ARG A 80 0.165 -9.070 -1.295 1.00 1.00 H new ATOM 0 HH12 ARG A 80 -0.975 -9.420 -2.599 1.00 1.00 H new ATOM 0 HH21 ARG A 80 -0.277 -12.897 -2.612 1.00 1.00 H new ATOM 0 HH22 ARG A 80 -1.227 -11.604 -3.351 1.00 1.00 H new ATOM 1303 N GLN A 81 4.329 -15.625 -1.008 1.00 1.00 N ATOM 1304 CA GLN A 81 4.792 -16.483 -2.078 1.00 1.00 C ATOM 1305 C GLN A 81 5.030 -15.649 -3.337 1.00 1.00 C ATOM 1306 O GLN A 81 6.166 -15.267 -3.606 1.00 1.00 O ATOM 1307 CB GLN A 81 3.804 -17.662 -2.267 1.00 1.00 C ATOM 1308 CG GLN A 81 2.293 -17.392 -2.073 1.00 1.00 C ATOM 1309 CD GLN A 81 1.469 -18.679 -2.106 1.00 1.00 C ATOM 1310 OE1 GLN A 81 1.890 -19.706 -1.577 1.00 1.00 O ATOM 1311 NE2 GLN A 81 0.279 -18.640 -2.677 1.00 1.00 N ATOM 0 H GLN A 81 3.380 -15.869 -0.725 1.00 1.00 H new ATOM 0 HA GLN A 81 5.752 -16.935 -1.831 1.00 1.00 H new ATOM 0 HB2 GLN A 81 3.945 -18.055 -3.274 1.00 1.00 H new ATOM 0 HB3 GLN A 81 4.092 -18.452 -1.573 1.00 1.00 H new ATOM 0 HG2 GLN A 81 2.135 -16.886 -1.121 1.00 1.00 H new ATOM 0 HG3 GLN A 81 1.943 -16.718 -2.854 1.00 1.00 H new ATOM 0 HE21 GLN A 81 -0.051 -17.777 -3.110 1.00 1.00 H new ATOM 0 HE22 GLN A 81 -0.310 -19.472 -2.685 1.00 1.00 H new ATOM 1320 N THR A 82 3.977 -15.326 -4.085 1.00 1.00 N ATOM 1321 CA THR A 82 4.055 -14.548 -5.317 1.00 1.00 C ATOM 1322 C THR A 82 2.945 -13.484 -5.280 1.00 1.00 C ATOM 1323 O THR A 82 1.827 -13.732 -5.735 1.00 1.00 O ATOM 1324 CB THR A 82 4.011 -15.496 -6.533 1.00 1.00 C ATOM 1325 OG1 THR A 82 5.035 -16.474 -6.403 1.00 1.00 O ATOM 1326 CG2 THR A 82 4.210 -14.767 -7.865 1.00 1.00 C ATOM 0 H THR A 82 3.026 -15.605 -3.845 1.00 1.00 H new ATOM 0 HA THR A 82 5.000 -14.012 -5.411 1.00 1.00 H new ATOM 0 HB THR A 82 3.020 -15.950 -6.544 1.00 1.00 H new ATOM 0 HG1 THR A 82 5.009 -17.079 -7.173 1.00 1.00 H new ATOM 0 HG21 THR A 82 4.169 -15.486 -8.683 1.00 1.00 H new ATOM 0 HG22 THR A 82 3.422 -14.025 -7.995 1.00 1.00 H new ATOM 0 HG23 THR A 82 5.180 -14.271 -7.867 1.00 1.00 H new ATOM 1334 N PRO A 83 3.197 -12.322 -4.651 1.00 1.00 N ATOM 1335 CA PRO A 83 2.412 -11.107 -4.852 1.00 1.00 C ATOM 1336 C PRO A 83 2.486 -10.621 -6.305 1.00 1.00 C ATOM 1337 O PRO A 83 3.340 -11.061 -7.079 1.00 1.00 O ATOM 1338 CB PRO A 83 2.986 -10.073 -3.875 1.00 1.00 C ATOM 1339 CG PRO A 83 4.366 -10.616 -3.500 1.00 1.00 C ATOM 1340 CD PRO A 83 4.207 -12.119 -3.632 1.00 1.00 C ATOM 0 HA PRO A 83 1.353 -11.282 -4.661 1.00 1.00 H new ATOM 0 HB2 PRO A 83 3.060 -9.089 -4.338 1.00 1.00 H new ATOM 0 HB3 PRO A 83 2.351 -9.964 -2.996 1.00 1.00 H new ATOM 0 HG2 PRO A 83 5.141 -10.235 -4.165 1.00 1.00 H new ATOM 0 HG3 PRO A 83 4.647 -10.330 -2.486 1.00 1.00 H new ATOM 0 HD2 PRO A 83 5.149 -12.588 -3.916 1.00 1.00 H new ATOM 0 HD3 PRO A 83 3.902 -12.564 -2.685 1.00 1.00 H new ATOM 1348 N SER A 84 1.582 -9.708 -6.671 1.00 1.00 N ATOM 1349 CA SER A 84 1.480 -9.222 -8.042 1.00 1.00 C ATOM 1350 C SER A 84 2.567 -8.183 -8.317 1.00 1.00 C ATOM 1351 O SER A 84 3.123 -7.608 -7.385 1.00 1.00 O ATOM 1352 CB SER A 84 0.102 -8.605 -8.283 1.00 1.00 C ATOM 1353 OG SER A 84 -0.888 -9.056 -7.371 1.00 1.00 O ATOM 0 H SER A 84 0.908 -9.291 -6.029 1.00 1.00 H new ATOM 0 HA SER A 84 1.615 -10.065 -8.720 1.00 1.00 H new ATOM 0 HB2 SER A 84 0.181 -7.520 -8.214 1.00 1.00 H new ATOM 0 HB3 SER A 84 -0.218 -8.837 -9.299 1.00 1.00 H new ATOM 0 HG SER A 84 -1.202 -8.302 -6.829 1.00 1.00 H new ATOM 1359 N ARG A 85 2.824 -7.864 -9.582 1.00 1.00 N ATOM 1360 CA ARG A 85 4.038 -7.148 -9.964 1.00 1.00 C ATOM 1361 C ARG A 85 3.951 -5.643 -9.713 1.00 1.00 C ATOM 1362 O ARG A 85 4.994 -5.004 -9.580 1.00 1.00 O ATOM 1363 CB ARG A 85 4.396 -7.504 -11.421 1.00 1.00 C ATOM 1364 CG ARG A 85 5.913 -7.440 -11.622 1.00 1.00 C ATOM 1365 CD ARG A 85 6.425 -8.134 -12.884 1.00 1.00 C ATOM 1366 NE ARG A 85 6.574 -7.224 -14.027 1.00 1.00 N ATOM 1367 CZ ARG A 85 7.242 -7.526 -15.147 1.00 1.00 C ATOM 1368 NH1 ARG A 85 7.656 -8.771 -15.381 1.00 1.00 N ATOM 1369 NH2 ARG A 85 7.496 -6.568 -16.027 1.00 1.00 N ATOM 0 H ARG A 85 2.207 -8.090 -10.362 1.00 1.00 H new ATOM 0 HA ARG A 85 4.853 -7.476 -9.319 1.00 1.00 H new ATOM 0 HB2 ARG A 85 4.032 -8.503 -11.659 1.00 1.00 H new ATOM 0 HB3 ARG A 85 3.902 -6.813 -12.104 1.00 1.00 H new ATOM 0 HG2 ARG A 85 6.217 -6.394 -11.652 1.00 1.00 H new ATOM 0 HG3 ARG A 85 6.399 -7.889 -10.756 1.00 1.00 H new ATOM 0 HD2 ARG A 85 7.388 -8.598 -12.670 1.00 1.00 H new ATOM 0 HD3 ARG A 85 5.738 -8.936 -13.154 1.00 1.00 H new ATOM 0 HE ARG A 85 6.141 -6.303 -13.963 1.00 1.00 H new ATOM 0 HH11 ARG A 85 7.465 -9.508 -14.702 1.00 1.00 H new ATOM 0 HH12 ARG A 85 8.164 -8.987 -16.239 1.00 1.00 H new ATOM 0 HH21 ARG A 85 7.183 -5.614 -15.847 1.00 1.00 H new ATOM 0 HH22 ARG A 85 8.004 -6.785 -16.884 1.00 1.00 H new ATOM 1383 N GLU A 86 2.754 -5.048 -9.665 1.00 1.00 N ATOM 1384 CA GLU A 86 2.582 -3.756 -9.004 1.00 1.00 C ATOM 1385 C GLU A 86 2.562 -3.897 -7.476 1.00 1.00 C ATOM 1386 O GLU A 86 2.980 -2.973 -6.797 1.00 1.00 O ATOM 1387 CB GLU A 86 1.334 -3.006 -9.505 1.00 1.00 C ATOM 1388 CG GLU A 86 1.479 -1.498 -9.345 1.00 1.00 C ATOM 1389 CD GLU A 86 0.191 -0.672 -9.446 1.00 1.00 C ATOM 1390 OE1 GLU A 86 -0.887 -1.208 -9.784 1.00 1.00 O ATOM 1391 OE2 GLU A 86 0.246 0.544 -9.142 1.00 1.00 O ATOM 0 H GLU A 86 1.903 -5.436 -10.071 1.00 1.00 H new ATOM 0 HA GLU A 86 3.450 -3.154 -9.272 1.00 1.00 H new ATOM 0 HB2 GLU A 86 1.163 -3.246 -10.554 1.00 1.00 H new ATOM 0 HB3 GLU A 86 0.458 -3.348 -8.953 1.00 1.00 H new ATOM 0 HG2 GLU A 86 1.936 -1.300 -8.375 1.00 1.00 H new ATOM 0 HG3 GLU A 86 2.174 -1.140 -10.104 1.00 1.00 H new ATOM 1398 N TYR A 87 2.030 -4.997 -6.918 1.00 1.00 N ATOM 1399 CA TYR A 87 1.851 -5.145 -5.470 1.00 1.00 C ATOM 1400 C TYR A 87 3.219 -5.170 -4.781 1.00 1.00 C ATOM 1401 O TYR A 87 3.546 -4.246 -4.034 1.00 1.00 O ATOM 1402 CB TYR A 87 1.026 -6.395 -5.076 1.00 1.00 C ATOM 1403 CG TYR A 87 -0.502 -6.340 -5.109 1.00 1.00 C ATOM 1404 CD1 TYR A 87 -1.197 -5.919 -6.259 1.00 1.00 C ATOM 1405 CD2 TYR A 87 -1.233 -6.835 -4.004 1.00 1.00 C ATOM 1406 CE1 TYR A 87 -2.599 -6.022 -6.315 1.00 1.00 C ATOM 1407 CE2 TYR A 87 -2.646 -6.882 -4.026 1.00 1.00 C ATOM 1408 CZ TYR A 87 -3.322 -6.506 -5.201 1.00 1.00 C ATOM 1409 OH TYR A 87 -4.673 -6.632 -5.215 1.00 1.00 O ATOM 0 H TYR A 87 1.714 -5.803 -7.457 1.00 1.00 H new ATOM 0 HA TYR A 87 1.276 -4.283 -5.132 1.00 1.00 H new ATOM 0 HB2 TYR A 87 1.336 -7.209 -5.732 1.00 1.00 H new ATOM 0 HB3 TYR A 87 1.319 -6.672 -4.063 1.00 1.00 H new ATOM 0 HD1 TYR A 87 -0.652 -5.516 -7.100 1.00 1.00 H new ATOM 0 HD2 TYR A 87 -0.703 -7.183 -3.129 1.00 1.00 H new ATOM 0 HE1 TYR A 87 -3.125 -5.730 -7.212 1.00 1.00 H new ATOM 0 HE2 TYR A 87 -3.198 -7.202 -3.154 1.00 1.00 H new ATOM 0 HH TYR A 87 -4.915 -7.524 -5.540 1.00 1.00 H new ATOM 1419 N VAL A 88 3.974 -6.259 -4.964 1.00 1.00 N ATOM 1420 CA VAL A 88 5.298 -6.469 -4.394 1.00 1.00 C ATOM 1421 C VAL A 88 6.034 -7.465 -5.302 1.00 1.00 C ATOM 1422 O VAL A 88 5.419 -8.371 -5.857 1.00 1.00 O ATOM 1423 CB VAL A 88 5.188 -7.059 -2.961 1.00 1.00 C ATOM 1424 CG1 VAL A 88 6.552 -7.141 -2.267 1.00 1.00 C ATOM 1425 CG2 VAL A 88 4.255 -6.330 -1.988 1.00 1.00 C ATOM 0 H VAL A 88 3.663 -7.044 -5.536 1.00 1.00 H new ATOM 0 HA VAL A 88 5.834 -5.522 -4.330 1.00 1.00 H new ATOM 0 HB VAL A 88 4.758 -8.040 -3.163 1.00 1.00 H new ATOM 0 HG11 VAL A 88 6.427 -7.559 -1.268 1.00 1.00 H new ATOM 0 HG12 VAL A 88 7.218 -7.780 -2.847 1.00 1.00 H new ATOM 0 HG13 VAL A 88 6.982 -6.142 -2.191 1.00 1.00 H new ATOM 0 HG21 VAL A 88 4.266 -6.838 -1.024 1.00 1.00 H new ATOM 0 HG22 VAL A 88 4.594 -5.302 -1.860 1.00 1.00 H new ATOM 0 HG23 VAL A 88 3.241 -6.330 -2.387 1.00 1.00 H new ATOM 1435 N ASP A 89 7.364 -7.381 -5.323 1.00 1.00 N ATOM 1436 CA ASP A 89 8.295 -8.413 -5.779 1.00 1.00 C ATOM 1437 C ASP A 89 8.267 -8.591 -7.297 1.00 1.00 C ATOM 1438 O ASP A 89 7.592 -9.455 -7.852 1.00 1.00 O ATOM 1439 CB ASP A 89 8.160 -9.731 -4.997 1.00 1.00 C ATOM 1440 CG ASP A 89 9.520 -10.408 -4.971 1.00 1.00 C ATOM 1441 OD1 ASP A 89 10.345 -10.040 -4.098 1.00 1.00 O ATOM 1442 OD2 ASP A 89 9.831 -11.219 -5.870 1.00 1.00 O ATOM 0 H ASP A 89 7.849 -6.542 -5.004 1.00 1.00 H new ATOM 0 HA ASP A 89 9.297 -8.052 -5.546 1.00 1.00 H new ATOM 0 HB2 ASP A 89 7.812 -9.537 -3.982 1.00 1.00 H new ATOM 0 HB3 ASP A 89 7.421 -10.379 -5.469 1.00 1.00 H new ATOM 1447 N LEU A 90 9.008 -7.708 -7.963 1.00 1.00 N ATOM 1448 CA LEU A 90 8.966 -7.426 -9.392 1.00 1.00 C ATOM 1449 C LEU A 90 10.351 -7.496 -10.046 1.00 1.00 C ATOM 1450 O LEU A 90 10.598 -6.839 -11.054 1.00 1.00 O ATOM 1451 CB LEU A 90 8.241 -6.082 -9.631 1.00 1.00 C ATOM 1452 CG LEU A 90 8.663 -4.811 -8.861 1.00 1.00 C ATOM 1453 CD1 LEU A 90 8.112 -4.779 -7.430 1.00 1.00 C ATOM 1454 CD2 LEU A 90 10.177 -4.571 -8.820 1.00 1.00 C ATOM 0 H LEU A 90 9.700 -7.132 -7.484 1.00 1.00 H new ATOM 0 HA LEU A 90 8.391 -8.208 -9.888 1.00 1.00 H new ATOM 0 HB2 LEU A 90 8.326 -5.856 -10.694 1.00 1.00 H new ATOM 0 HB3 LEU A 90 7.184 -6.247 -9.424 1.00 1.00 H new ATOM 0 HG LEU A 90 8.218 -4.002 -9.440 1.00 1.00 H new ATOM 0 HD11 LEU A 90 8.439 -3.865 -6.935 1.00 1.00 H new ATOM 0 HD12 LEU A 90 7.023 -4.807 -7.459 1.00 1.00 H new ATOM 0 HD13 LEU A 90 8.482 -5.643 -6.878 1.00 1.00 H new ATOM 0 HD21 LEU A 90 10.386 -3.659 -8.261 1.00 1.00 H new ATOM 0 HD22 LEU A 90 10.666 -5.415 -8.334 1.00 1.00 H new ATOM 0 HD23 LEU A 90 10.557 -4.468 -9.837 1.00 1.00 H new ATOM 1466 N GLU A 91 11.274 -8.262 -9.462 1.00 1.00 N ATOM 1467 CA GLU A 91 12.608 -8.550 -9.989 1.00 1.00 C ATOM 1468 C GLU A 91 13.462 -7.294 -10.230 1.00 1.00 C ATOM 1469 O GLU A 91 14.413 -7.328 -11.012 1.00 1.00 O ATOM 1470 CB GLU A 91 12.482 -9.463 -11.221 1.00 1.00 C ATOM 1471 CG GLU A 91 13.717 -10.356 -11.389 1.00 1.00 C ATOM 1472 CD GLU A 91 13.735 -11.081 -12.730 1.00 1.00 C ATOM 1473 OE1 GLU A 91 13.960 -10.409 -13.761 1.00 1.00 O ATOM 1474 OE2 GLU A 91 13.664 -12.334 -12.739 1.00 1.00 O ATOM 0 H GLU A 91 11.103 -8.720 -8.567 1.00 1.00 H new ATOM 0 HA GLU A 91 13.169 -9.088 -9.225 1.00 1.00 H new ATOM 0 HB2 GLU A 91 11.592 -10.085 -11.124 1.00 1.00 H new ATOM 0 HB3 GLU A 91 12.349 -8.853 -12.115 1.00 1.00 H new ATOM 0 HG2 GLU A 91 14.617 -9.748 -11.296 1.00 1.00 H new ATOM 0 HG3 GLU A 91 13.744 -11.089 -10.583 1.00 1.00 H new ATOM 1481 N ARG A 92 13.164 -6.205 -9.510 1.00 1.00 N ATOM 1482 CA ARG A 92 13.692 -4.862 -9.599 1.00 1.00 C ATOM 1483 C ARG A 92 13.222 -4.148 -10.855 1.00 1.00 C ATOM 1484 O ARG A 92 13.404 -4.620 -11.974 1.00 1.00 O ATOM 1485 CB ARG A 92 15.209 -4.830 -9.449 1.00 1.00 C ATOM 1486 CG ARG A 92 15.691 -5.186 -8.039 1.00 1.00 C ATOM 1487 CD ARG A 92 15.546 -3.958 -7.141 1.00 1.00 C ATOM 1488 NE ARG A 92 15.974 -4.219 -5.765 1.00 1.00 N ATOM 1489 CZ ARG A 92 17.221 -4.110 -5.283 1.00 1.00 C ATOM 1490 NH1 ARG A 92 18.222 -3.718 -6.058 1.00 1.00 N ATOM 1491 NH2 ARG A 92 17.435 -4.348 -3.999 1.00 1.00 N ATOM 0 H ARG A 92 12.465 -6.265 -8.769 1.00 1.00 H new ATOM 0 HA ARG A 92 13.286 -4.307 -8.754 1.00 1.00 H new ATOM 0 HB2 ARG A 92 15.651 -5.526 -10.162 1.00 1.00 H new ATOM 0 HB3 ARG A 92 15.571 -3.835 -9.708 1.00 1.00 H new ATOM 0 HG2 ARG A 92 15.108 -6.016 -7.640 1.00 1.00 H new ATOM 0 HG3 ARG A 92 16.731 -5.512 -8.067 1.00 1.00 H new ATOM 0 HD2 ARG A 92 16.135 -3.139 -7.553 1.00 1.00 H new ATOM 0 HD3 ARG A 92 14.506 -3.633 -7.140 1.00 1.00 H new ATOM 0 HE ARG A 92 15.252 -4.513 -5.108 1.00 1.00 H new ATOM 0 HH11 ARG A 92 18.050 -3.493 -7.038 1.00 1.00 H new ATOM 0 HH12 ARG A 92 19.164 -3.641 -5.674 1.00 1.00 H new ATOM 0 HH21 ARG A 92 16.658 -4.610 -3.392 1.00 1.00 H new ATOM 0 HH22 ARG A 92 18.377 -4.270 -3.616 1.00 1.00 H new ATOM 1505 N GLU A 93 12.636 -2.975 -10.642 1.00 1.00 N ATOM 1506 CA GLU A 93 12.456 -1.994 -11.685 1.00 1.00 C ATOM 1507 C GLU A 93 13.778 -1.234 -11.855 1.00 1.00 C ATOM 1508 O GLU A 93 14.787 -1.580 -11.227 1.00 1.00 O ATOM 1509 CB GLU A 93 11.244 -1.094 -11.362 1.00 1.00 C ATOM 1510 CG GLU A 93 10.116 -1.177 -12.403 1.00 1.00 C ATOM 1511 CD GLU A 93 9.589 -2.593 -12.647 1.00 1.00 C ATOM 1512 OE1 GLU A 93 8.674 -3.046 -11.923 1.00 1.00 O ATOM 1513 OE2 GLU A 93 10.048 -3.238 -13.621 1.00 1.00 O ATOM 0 H GLU A 93 12.274 -2.685 -9.734 1.00 1.00 H new ATOM 0 HA GLU A 93 12.221 -2.459 -12.643 1.00 1.00 H new ATOM 0 HB2 GLU A 93 10.846 -1.372 -10.386 1.00 1.00 H new ATOM 0 HB3 GLU A 93 11.581 -0.060 -11.286 1.00 1.00 H new ATOM 0 HG2 GLU A 93 9.290 -0.545 -12.078 1.00 1.00 H new ATOM 0 HG3 GLU A 93 10.477 -0.768 -13.347 1.00 1.00 H new ATOM 1520 N ALA A 94 13.781 -0.202 -12.700 1.00 1.00 N ATOM 1521 CA ALA A 94 14.946 0.610 -13.051 1.00 1.00 C ATOM 1522 C ALA A 94 15.471 1.386 -11.837 1.00 1.00 C ATOM 1523 O ALA A 94 15.131 2.553 -11.635 1.00 1.00 O ATOM 1524 CB ALA A 94 14.580 1.558 -14.198 1.00 1.00 C ATOM 0 H ALA A 94 12.934 0.104 -13.179 1.00 1.00 H new ATOM 0 HA ALA A 94 15.749 -0.050 -13.379 1.00 1.00 H new ATOM 0 HB1 ALA A 94 15.447 2.164 -14.460 1.00 1.00 H new ATOM 0 HB2 ALA A 94 14.268 0.976 -15.065 1.00 1.00 H new ATOM 0 HB3 ALA A 94 13.764 2.209 -13.885 1.00 1.00 H new ATOM 1530 N GLY A 95 16.271 0.728 -10.997 1.00 1.00 N ATOM 1531 CA GLY A 95 16.711 1.215 -9.696 1.00 1.00 C ATOM 1532 C GLY A 95 15.576 1.736 -8.826 1.00 1.00 C ATOM 1533 O GLY A 95 15.781 2.633 -8.002 1.00 1.00 O ATOM 0 H GLY A 95 16.643 -0.196 -11.217 1.00 1.00 H new ATOM 0 HA2 GLY A 95 17.221 0.409 -9.169 1.00 1.00 H new ATOM 0 HA3 GLY A 95 17.440 2.012 -9.843 1.00 1.00 H new ATOM 1537 N LYS A 96 14.391 1.165 -9.012 1.00 1.00 N ATOM 1538 CA LYS A 96 13.207 1.386 -8.203 1.00 1.00 C ATOM 1539 C LYS A 96 12.582 0.042 -7.873 1.00 1.00 C ATOM 1540 O LYS A 96 12.953 -0.998 -8.427 1.00 1.00 O ATOM 1541 CB LYS A 96 12.155 2.233 -8.939 1.00 1.00 C ATOM 1542 CG LYS A 96 12.577 3.597 -9.508 1.00 1.00 C ATOM 1543 CD LYS A 96 11.350 4.521 -9.479 1.00 1.00 C ATOM 1544 CE LYS A 96 11.445 5.781 -10.339 1.00 1.00 C ATOM 1545 NZ LYS A 96 11.048 5.540 -11.746 1.00 1.00 N ATOM 0 H LYS A 96 14.226 0.503 -9.770 1.00 1.00 H new ATOM 0 HA LYS A 96 13.514 1.920 -7.304 1.00 1.00 H new ATOM 0 HB2 LYS A 96 11.767 1.636 -9.764 1.00 1.00 H new ATOM 0 HB3 LYS A 96 11.327 2.403 -8.251 1.00 1.00 H new ATOM 0 HG2 LYS A 96 13.389 4.022 -8.918 1.00 1.00 H new ATOM 0 HG3 LYS A 96 12.948 3.487 -10.527 1.00 1.00 H new ATOM 0 HD2 LYS A 96 10.480 3.949 -9.801 1.00 1.00 H new ATOM 0 HD3 LYS A 96 11.169 4.821 -8.447 1.00 1.00 H new ATOM 0 HE2 LYS A 96 10.808 6.556 -9.913 1.00 1.00 H new ATOM 0 HE3 LYS A 96 12.467 6.158 -10.313 1.00 1.00 H new ATOM 0 HZ1 LYS A 96 10.917 6.451 -12.231 1.00 1.00 H new ATOM 0 HZ2 LYS A 96 11.791 4.995 -12.228 1.00 1.00 H new ATOM 0 HZ3 LYS A 96 10.157 5.004 -11.768 1.00 1.00 H new ATOM 1559 N VAL A 97 11.581 0.075 -7.010 1.00 1.00 N ATOM 1560 CA VAL A 97 10.589 -0.968 -6.909 1.00 1.00 C ATOM 1561 C VAL A 97 9.251 -0.232 -7.017 1.00 1.00 C ATOM 1562 O VAL A 97 9.171 0.976 -6.775 1.00 1.00 O ATOM 1563 CB VAL A 97 10.833 -1.778 -5.621 1.00 1.00 C ATOM 1564 CG1 VAL A 97 9.792 -1.534 -4.547 1.00 1.00 C ATOM 1565 CG2 VAL A 97 11.035 -3.273 -5.828 1.00 1.00 C ATOM 0 H VAL A 97 11.437 0.841 -6.352 1.00 1.00 H new ATOM 0 HA VAL A 97 10.621 -1.729 -7.689 1.00 1.00 H new ATOM 0 HB VAL A 97 11.786 -1.383 -5.269 1.00 1.00 H new ATOM 0 HG11 VAL A 97 10.027 -2.136 -3.669 1.00 1.00 H new ATOM 0 HG12 VAL A 97 9.792 -0.479 -4.273 1.00 1.00 H new ATOM 0 HG13 VAL A 97 8.808 -1.811 -4.925 1.00 1.00 H new ATOM 0 HG21 VAL A 97 11.199 -3.755 -4.864 1.00 1.00 H new ATOM 0 HG22 VAL A 97 10.149 -3.698 -6.300 1.00 1.00 H new ATOM 0 HG23 VAL A 97 11.902 -3.438 -6.468 1.00 1.00 H new ATOM 1575 N TYR A 98 8.208 -0.953 -7.395 1.00 1.00 N ATOM 1576 CA TYR A 98 6.879 -0.437 -7.605 1.00 1.00 C ATOM 1577 C TYR A 98 5.992 -1.226 -6.666 1.00 1.00 C ATOM 1578 O TYR A 98 6.139 -2.443 -6.568 1.00 1.00 O ATOM 1579 CB TYR A 98 6.529 -0.590 -9.083 1.00 1.00 C ATOM 1580 CG TYR A 98 7.031 0.588 -9.901 1.00 1.00 C ATOM 1581 CD1 TYR A 98 8.412 0.771 -10.095 1.00 1.00 C ATOM 1582 CD2 TYR A 98 6.135 1.550 -10.398 1.00 1.00 C ATOM 1583 CE1 TYR A 98 8.904 1.898 -10.771 1.00 1.00 C ATOM 1584 CE2 TYR A 98 6.621 2.684 -11.072 1.00 1.00 C ATOM 1585 CZ TYR A 98 8.008 2.873 -11.255 1.00 1.00 C ATOM 1586 OH TYR A 98 8.496 3.992 -11.864 1.00 1.00 O ATOM 0 H TYR A 98 8.275 -1.956 -7.569 1.00 1.00 H new ATOM 0 HA TYR A 98 6.763 0.624 -7.386 1.00 1.00 H new ATOM 0 HB2 TYR A 98 6.964 -1.512 -9.467 1.00 1.00 H new ATOM 0 HB3 TYR A 98 5.448 -0.677 -9.195 1.00 1.00 H new ATOM 0 HD1 TYR A 98 9.104 0.033 -9.718 1.00 1.00 H new ATOM 0 HD2 TYR A 98 5.072 1.418 -10.262 1.00 1.00 H new ATOM 0 HE1 TYR A 98 9.967 2.018 -10.920 1.00 1.00 H new ATOM 0 HE2 TYR A 98 5.926 3.418 -11.454 1.00 1.00 H new ATOM 0 HH TYR A 98 7.751 4.565 -12.142 1.00 1.00 H new ATOM 1596 N LEU A 99 5.181 -0.517 -5.891 1.00 1.00 N ATOM 1597 CA LEU A 99 4.433 -1.052 -4.789 1.00 1.00 C ATOM 1598 C LEU A 99 2.968 -0.693 -4.975 1.00 1.00 C ATOM 1599 O LEU A 99 2.611 0.308 -5.614 1.00 1.00 O ATOM 1600 CB LEU A 99 4.967 -0.446 -3.490 1.00 1.00 C ATOM 1601 CG LEU A 99 6.376 -0.883 -3.056 1.00 1.00 C ATOM 1602 CD1 LEU A 99 6.659 -0.233 -1.698 1.00 1.00 C ATOM 1603 CD2 LEU A 99 6.564 -2.402 -2.939 1.00 1.00 C ATOM 0 H LEU A 99 5.029 0.482 -6.028 1.00 1.00 H new ATOM 0 HA LEU A 99 4.534 -2.136 -4.745 1.00 1.00 H new ATOM 0 HB2 LEU A 99 4.963 0.639 -3.593 1.00 1.00 H new ATOM 0 HB3 LEU A 99 4.271 -0.692 -2.688 1.00 1.00 H new ATOM 0 HG LEU A 99 7.071 -0.562 -3.832 1.00 1.00 H new ATOM 0 HD11 LEU A 99 7.653 -0.521 -1.357 1.00 1.00 H new ATOM 0 HD12 LEU A 99 6.609 0.851 -1.796 1.00 1.00 H new ATOM 0 HD13 LEU A 99 5.916 -0.566 -0.973 1.00 1.00 H new ATOM 0 HD21 LEU A 99 7.586 -2.619 -2.628 1.00 1.00 H new ATOM 0 HD22 LEU A 99 5.868 -2.799 -2.200 1.00 1.00 H new ATOM 0 HD23 LEU A 99 6.372 -2.868 -3.905 1.00 1.00 H new ATOM 1615 N LYS A 100 2.120 -1.494 -4.341 1.00 1.00 N ATOM 1616 CA LYS A 100 0.677 -1.349 -4.372 1.00 1.00 C ATOM 1617 C LYS A 100 0.108 -2.203 -3.267 1.00 1.00 C ATOM 1618 O LYS A 100 0.500 -3.354 -3.097 1.00 1.00 O ATOM 1619 CB LYS A 100 0.055 -1.794 -5.713 1.00 1.00 C ATOM 1620 CG LYS A 100 -1.227 -0.990 -5.937 1.00 1.00 C ATOM 1621 CD LYS A 100 -2.259 -1.582 -6.902 1.00 1.00 C ATOM 1622 CE LYS A 100 -3.248 -2.509 -6.193 1.00 1.00 C ATOM 1623 NZ LYS A 100 -4.346 -2.897 -7.098 1.00 1.00 N ATOM 0 H LYS A 100 2.431 -2.284 -3.776 1.00 1.00 H new ATOM 0 HA LYS A 100 0.440 -0.293 -4.245 1.00 1.00 H new ATOM 0 HB2 LYS A 100 0.756 -1.627 -6.531 1.00 1.00 H new ATOM 0 HB3 LYS A 100 -0.164 -2.862 -5.694 1.00 1.00 H new ATOM 0 HG2 LYS A 100 -1.710 -0.846 -4.971 1.00 1.00 H new ATOM 0 HG3 LYS A 100 -0.948 -0.002 -6.304 1.00 1.00 H new ATOM 0 HD2 LYS A 100 -2.806 -0.774 -7.388 1.00 1.00 H new ATOM 0 HD3 LYS A 100 -1.744 -2.135 -7.687 1.00 1.00 H new ATOM 0 HE2 LYS A 100 -2.729 -3.401 -5.841 1.00 1.00 H new ATOM 0 HE3 LYS A 100 -3.655 -2.009 -5.314 1.00 1.00 H new ATOM 0 HZ1 LYS A 100 -5.258 -2.753 -6.619 1.00 1.00 H new ATOM 0 HZ2 LYS A 100 -4.311 -2.312 -7.957 1.00 1.00 H new ATOM 0 HZ3 LYS A 100 -4.245 -3.899 -7.357 1.00 1.00 H new ATOM 1637 N ALA A 101 -0.860 -1.674 -2.546 1.00 1.00 N ATOM 1638 CA ALA A 101 -1.532 -2.406 -1.496 1.00 1.00 C ATOM 1639 C ALA A 101 -3.003 -2.012 -1.565 1.00 1.00 C ATOM 1640 O ALA A 101 -3.306 -0.822 -1.451 1.00 1.00 O ATOM 1641 CB ALA A 101 -0.845 -2.058 -0.175 1.00 1.00 C ATOM 0 H ALA A 101 -1.202 -0.722 -2.674 1.00 1.00 H new ATOM 0 HA ALA A 101 -1.476 -3.490 -1.597 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -1.330 -2.596 0.640 1.00 1.00 H new ATOM 0 HB2 ALA A 101 0.205 -2.345 -0.225 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -0.920 -0.985 0.003 1.00 1.00 H new ATOM 1647 N PRO A 102 -3.920 -2.955 -1.841 1.00 1.00 N ATOM 1648 CA PRO A 102 -5.333 -2.708 -1.673 1.00 1.00 C ATOM 1649 C PRO A 102 -5.610 -2.672 -0.179 1.00 1.00 C ATOM 1650 O PRO A 102 -5.285 -3.592 0.573 1.00 1.00 O ATOM 1651 CB PRO A 102 -6.063 -3.855 -2.338 1.00 1.00 C ATOM 1652 CG PRO A 102 -5.084 -5.014 -2.144 1.00 1.00 C ATOM 1653 CD PRO A 102 -3.705 -4.353 -2.178 1.00 1.00 C ATOM 0 HA PRO A 102 -5.659 -1.767 -2.117 1.00 1.00 H new ATOM 0 HB2 PRO A 102 -7.026 -4.052 -1.868 1.00 1.00 H new ATOM 0 HB3 PRO A 102 -6.257 -3.658 -3.392 1.00 1.00 H new ATOM 0 HG2 PRO A 102 -5.256 -5.526 -1.197 1.00 1.00 H new ATOM 0 HG3 PRO A 102 -5.188 -5.759 -2.933 1.00 1.00 H new ATOM 0 HD2 PRO A 102 -3.028 -4.826 -1.466 1.00 1.00 H new ATOM 0 HD3 PRO A 102 -3.250 -4.451 -3.164 1.00 1.00 H new ATOM 1661 N MET A 103 -6.178 -1.563 0.232 1.00 1.00 N ATOM 1662 CA MET A 103 -6.389 -1.226 1.619 1.00 1.00 C ATOM 1663 C MET A 103 -7.814 -1.574 2.020 1.00 1.00 C ATOM 1664 O MET A 103 -8.609 -2.016 1.198 1.00 1.00 O ATOM 1665 CB MET A 103 -6.138 0.275 1.785 1.00 1.00 C ATOM 1666 CG MET A 103 -4.805 0.762 1.201 1.00 1.00 C ATOM 1667 SD MET A 103 -3.341 0.045 1.986 1.00 1.00 S ATOM 1668 CE MET A 103 -3.400 0.993 3.518 1.00 1.00 C ATOM 0 H MET A 103 -6.517 -0.848 -0.411 1.00 1.00 H new ATOM 0 HA MET A 103 -5.709 -1.788 2.258 1.00 1.00 H new ATOM 0 HB2 MET A 103 -6.951 0.822 1.308 1.00 1.00 H new ATOM 0 HB3 MET A 103 -6.167 0.521 2.846 1.00 1.00 H new ATOM 0 HG2 MET A 103 -4.782 0.530 0.136 1.00 1.00 H new ATOM 0 HG3 MET A 103 -4.757 1.847 1.292 1.00 1.00 H new ATOM 0 HE1 MET A 103 -2.458 0.877 4.054 1.00 1.00 H new ATOM 0 HE2 MET A 103 -3.559 2.047 3.288 1.00 1.00 H new ATOM 0 HE3 MET A 103 -4.219 0.630 4.139 1.00 1.00 H new ATOM 1678 N ILE A 104 -8.155 -1.310 3.279 1.00 1.00 N ATOM 1679 CA ILE A 104 -9.524 -1.145 3.734 1.00 1.00 C ATOM 1680 C ILE A 104 -9.405 0.032 4.689 1.00 1.00 C ATOM 1681 O ILE A 104 -8.996 -0.150 5.837 1.00 1.00 O ATOM 1682 CB ILE A 104 -10.102 -2.417 4.399 1.00 1.00 C ATOM 1683 CG1 ILE A 104 -10.007 -3.642 3.468 1.00 1.00 C ATOM 1684 CG2 ILE A 104 -11.568 -2.167 4.807 1.00 1.00 C ATOM 1685 CD1 ILE A 104 -10.446 -4.938 4.155 1.00 1.00 C ATOM 0 H ILE A 104 -7.467 -1.203 4.025 1.00 1.00 H new ATOM 0 HA ILE A 104 -10.230 -0.969 2.922 1.00 1.00 H new ATOM 0 HB ILE A 104 -9.507 -2.636 5.286 1.00 1.00 H new ATOM 0 HG12 ILE A 104 -10.627 -3.474 2.587 1.00 1.00 H new ATOM 0 HG13 ILE A 104 -8.980 -3.750 3.119 1.00 1.00 H new ATOM 0 HG21 ILE A 104 -11.973 -3.064 5.275 1.00 1.00 H new ATOM 0 HG22 ILE A 104 -11.613 -1.337 5.513 1.00 1.00 H new ATOM 0 HG23 ILE A 104 -12.155 -1.923 3.922 1.00 1.00 H new ATOM 0 HD11 ILE A 104 -10.359 -5.769 3.454 1.00 1.00 H new ATOM 0 HD12 ILE A 104 -9.810 -5.125 5.020 1.00 1.00 H new ATOM 0 HD13 ILE A 104 -11.482 -4.844 4.480 1.00 1.00 H new ATOM 1697 N LEU A 105 -9.653 1.251 4.219 1.00 1.00 N ATOM 1698 CA LEU A 105 -9.613 2.454 5.047 1.00 1.00 C ATOM 1699 C LEU A 105 -11.046 2.922 5.194 1.00 1.00 C ATOM 1700 O LEU A 105 -11.701 3.189 4.189 1.00 1.00 O ATOM 1701 CB LEU A 105 -8.769 3.560 4.401 1.00 1.00 C ATOM 1702 CG LEU A 105 -7.323 3.740 4.892 1.00 1.00 C ATOM 1703 CD1 LEU A 105 -7.206 3.950 6.401 1.00 1.00 C ATOM 1704 CD2 LEU A 105 -6.412 2.600 4.459 1.00 1.00 C ATOM 0 H LEU A 105 -9.890 1.434 3.244 1.00 1.00 H new ATOM 0 HA LEU A 105 -9.155 2.231 6.011 1.00 1.00 H new ATOM 0 HB2 LEU A 105 -8.737 3.373 3.328 1.00 1.00 H new ATOM 0 HB3 LEU A 105 -9.291 4.506 4.544 1.00 1.00 H new ATOM 0 HG LEU A 105 -6.989 4.658 4.408 1.00 1.00 H new ATOM 0 HD11 LEU A 105 -6.157 4.069 6.672 1.00 1.00 H new ATOM 0 HD12 LEU A 105 -7.759 4.845 6.688 1.00 1.00 H new ATOM 0 HD13 LEU A 105 -7.619 3.086 6.922 1.00 1.00 H new ATOM 0 HD21 LEU A 105 -5.404 2.778 4.833 1.00 1.00 H new ATOM 0 HD22 LEU A 105 -6.788 1.660 4.863 1.00 1.00 H new ATOM 0 HD23 LEU A 105 -6.391 2.544 3.371 1.00 1.00 H new ATOM 1716 N ASN A 106 -11.552 2.944 6.425 1.00 1.00 N ATOM 1717 CA ASN A 106 -12.914 3.302 6.831 1.00 1.00 C ATOM 1718 C ASN A 106 -13.991 2.341 6.306 1.00 1.00 C ATOM 1719 O ASN A 106 -15.104 2.323 6.824 1.00 1.00 O ATOM 1720 CB ASN A 106 -13.223 4.761 6.451 1.00 1.00 C ATOM 1721 CG ASN A 106 -14.386 5.291 7.271 1.00 1.00 C ATOM 1722 OD1 ASN A 106 -15.523 5.345 6.814 1.00 1.00 O ATOM 1723 ND2 ASN A 106 -14.129 5.673 8.509 1.00 1.00 N ATOM 0 H ASN A 106 -10.977 2.693 7.229 1.00 1.00 H new ATOM 0 HA ASN A 106 -12.948 3.204 7.916 1.00 1.00 H new ATOM 0 HB2 ASN A 106 -12.342 5.380 6.617 1.00 1.00 H new ATOM 0 HB3 ASN A 106 -13.461 4.824 5.389 1.00 1.00 H new ATOM 0 HD21 ASN A 106 -14.882 6.020 9.102 1.00 1.00 H new ATOM 0 HD22 ASN A 106 -13.177 5.621 8.872 1.00 1.00 H new ATOM 1730 N GLY A 107 -13.654 1.508 5.321 1.00 1.00 N ATOM 1731 CA GLY A 107 -14.555 0.659 4.554 1.00 1.00 C ATOM 1732 C GLY A 107 -14.495 0.950 3.050 1.00 1.00 C ATOM 1733 O GLY A 107 -15.422 0.615 2.320 1.00 1.00 O ATOM 0 H GLY A 107 -12.684 1.405 5.022 1.00 1.00 H new ATOM 0 HA2 GLY A 107 -14.302 -0.387 4.729 1.00 1.00 H new ATOM 0 HA3 GLY A 107 -15.576 0.803 4.909 1.00 1.00 H new ATOM 1737 N VAL A 108 -13.440 1.591 2.554 1.00 1.00 N ATOM 1738 CA VAL A 108 -13.145 1.714 1.147 1.00 1.00 C ATOM 1739 C VAL A 108 -11.878 0.919 0.878 1.00 1.00 C ATOM 1740 O VAL A 108 -10.837 1.174 1.497 1.00 1.00 O ATOM 1741 CB VAL A 108 -13.021 3.185 0.706 1.00 1.00 C ATOM 1742 CG1 VAL A 108 -12.918 3.305 -0.821 1.00 1.00 C ATOM 1743 CG2 VAL A 108 -14.228 4.023 1.134 1.00 1.00 C ATOM 0 H VAL A 108 -12.750 2.051 3.148 1.00 1.00 H new ATOM 0 HA VAL A 108 -13.967 1.313 0.554 1.00 1.00 H new ATOM 0 HB VAL A 108 -12.117 3.556 1.189 1.00 1.00 H new ATOM 0 HG11 VAL A 108 -12.832 4.356 -1.098 1.00 1.00 H new ATOM 0 HG12 VAL A 108 -12.038 2.764 -1.170 1.00 1.00 H new ATOM 0 HG13 VAL A 108 -13.811 2.881 -1.280 1.00 1.00 H new ATOM 0 HG21 VAL A 108 -14.093 5.052 0.800 1.00 1.00 H new ATOM 0 HG22 VAL A 108 -15.133 3.612 0.687 1.00 1.00 H new ATOM 0 HG23 VAL A 108 -14.318 4.003 2.220 1.00 1.00 H new ATOM 1753 N CYS A 109 -11.961 -0.020 -0.064 1.00 1.00 N ATOM 1754 CA CYS A 109 -10.790 -0.552 -0.725 1.00 1.00 C ATOM 1755 C CYS A 109 -10.277 0.509 -1.690 1.00 1.00 C ATOM 1756 O CYS A 109 -10.623 0.531 -2.872 1.00 1.00 O ATOM 1757 CB CYS A 109 -11.096 -1.872 -1.434 1.00 1.00 C ATOM 1758 SG CYS A 109 -11.705 -3.091 -0.236 1.00 1.00 S ATOM 0 H CYS A 109 -12.841 -0.426 -0.383 1.00 1.00 H new ATOM 0 HA CYS A 109 -10.018 -0.783 0.009 1.00 1.00 H new ATOM 0 HB2 CYS A 109 -11.841 -1.712 -2.213 1.00 1.00 H new ATOM 0 HB3 CYS A 109 -10.198 -2.248 -1.924 1.00 1.00 H new ATOM 0 HG CYS A 109 -12.999 -3.006 -0.150 1.00 1.00 H new ATOM 1764 N VAL A 110 -9.449 1.408 -1.168 1.00 1.00 N ATOM 1765 CA VAL A 110 -8.612 2.226 -2.023 1.00 1.00 C ATOM 1766 C VAL A 110 -7.384 1.389 -2.344 1.00 1.00 C ATOM 1767 O VAL A 110 -6.990 0.488 -1.597 1.00 1.00 O ATOM 1768 CB VAL A 110 -8.240 3.570 -1.365 1.00 1.00 C ATOM 1769 CG1 VAL A 110 -9.501 4.417 -1.176 1.00 1.00 C ATOM 1770 CG2 VAL A 110 -7.495 3.427 -0.033 1.00 1.00 C ATOM 0 H VAL A 110 -9.343 1.584 -0.169 1.00 1.00 H new ATOM 0 HA VAL A 110 -9.145 2.501 -2.933 1.00 1.00 H new ATOM 0 HB VAL A 110 -7.545 4.064 -2.044 1.00 1.00 H new ATOM 0 HG11 VAL A 110 -9.235 5.366 -0.711 1.00 1.00 H new ATOM 0 HG12 VAL A 110 -9.962 4.605 -2.146 1.00 1.00 H new ATOM 0 HG13 VAL A 110 -10.205 3.884 -0.537 1.00 1.00 H new ATOM 0 HG21 VAL A 110 -7.269 4.416 0.366 1.00 1.00 H new ATOM 0 HG22 VAL A 110 -8.119 2.884 0.676 1.00 1.00 H new ATOM 0 HG23 VAL A 110 -6.566 2.879 -0.193 1.00 1.00 H new ATOM 1780 N ILE A 111 -6.772 1.718 -3.462 1.00 1.00 N ATOM 1781 CA ILE A 111 -5.429 1.321 -3.783 1.00 1.00 C ATOM 1782 C ILE A 111 -4.546 2.375 -3.145 1.00 1.00 C ATOM 1783 O ILE A 111 -4.745 3.568 -3.368 1.00 1.00 O ATOM 1784 CB ILE A 111 -5.252 1.305 -5.321 1.00 1.00 C ATOM 1785 CG1 ILE A 111 -5.873 0.034 -5.899 1.00 1.00 C ATOM 1786 CG2 ILE A 111 -3.787 1.456 -5.742 1.00 1.00 C ATOM 1787 CD1 ILE A 111 -5.800 -0.181 -7.414 1.00 1.00 C ATOM 0 H ILE A 111 -7.212 2.284 -4.188 1.00 1.00 H new ATOM 0 HA ILE A 111 -5.182 0.323 -3.421 1.00 1.00 H new ATOM 0 HB ILE A 111 -5.774 2.171 -5.729 1.00 1.00 H new ATOM 0 HG12 ILE A 111 -5.395 -0.819 -5.418 1.00 1.00 H new ATOM 0 HG13 ILE A 111 -6.924 0.015 -5.610 1.00 1.00 H new ATOM 0 HG21 ILE A 111 -3.717 1.439 -6.830 1.00 1.00 H new ATOM 0 HG22 ILE A 111 -3.397 2.403 -5.369 1.00 1.00 H new ATOM 0 HG23 ILE A 111 -3.203 0.634 -5.328 1.00 1.00 H new ATOM 0 HD11 ILE A 111 -6.282 -1.124 -7.671 1.00 1.00 H new ATOM 0 HD12 ILE A 111 -6.309 0.638 -7.923 1.00 1.00 H new ATOM 0 HD13 ILE A 111 -4.756 -0.210 -7.728 1.00 1.00 H new ATOM 1799 N TRP A 112 -3.594 1.953 -2.331 1.00 1.00 N ATOM 1800 CA TRP A 112 -2.449 2.801 -2.075 1.00 1.00 C ATOM 1801 C TRP A 112 -1.472 2.319 -3.141 1.00 1.00 C ATOM 1802 O TRP A 112 -1.303 1.102 -3.292 1.00 1.00 O ATOM 1803 CB TRP A 112 -1.897 2.585 -0.672 1.00 1.00 C ATOM 1804 CG TRP A 112 -0.646 3.369 -0.389 1.00 1.00 C ATOM 1805 CD1 TRP A 112 -0.579 4.446 0.422 1.00 1.00 C ATOM 1806 CD2 TRP A 112 0.719 3.161 -0.889 1.00 1.00 C ATOM 1807 NE1 TRP A 112 0.711 4.939 0.431 1.00 1.00 N ATOM 1808 CE2 TRP A 112 1.549 4.189 -0.361 1.00 1.00 C ATOM 1809 CE3 TRP A 112 1.358 2.192 -1.698 1.00 1.00 C ATOM 1810 CZ2 TRP A 112 2.917 4.275 -0.652 1.00 1.00 C ATOM 1811 CZ3 TRP A 112 2.727 2.279 -2.014 1.00 1.00 C ATOM 1812 CH2 TRP A 112 3.507 3.325 -1.500 1.00 1.00 C ATOM 0 H TRP A 112 -3.590 1.054 -1.849 1.00 1.00 H new ATOM 0 HA TRP A 112 -2.666 3.868 -2.121 1.00 1.00 H new ATOM 0 HB2 TRP A 112 -2.660 2.860 0.056 1.00 1.00 H new ATOM 0 HB3 TRP A 112 -1.690 1.524 -0.532 1.00 1.00 H new ATOM 0 HD1 TRP A 112 -1.407 4.859 0.979 1.00 1.00 H new ATOM 0 HE1 TRP A 112 1.006 5.759 0.960 1.00 1.00 H new ATOM 0 HE3 TRP A 112 0.781 1.364 -2.083 1.00 1.00 H new ATOM 0 HZ2 TRP A 112 3.514 5.068 -0.226 1.00 1.00 H new ATOM 0 HZ3 TRP A 112 3.179 1.537 -2.655 1.00 1.00 H new ATOM 0 HH2 TRP A 112 4.554 3.399 -1.755 1.00 1.00 H new ATOM 1823 N LYS A 113 -0.841 3.221 -3.888 1.00 1.00 N ATOM 1824 CA LYS A 113 0.217 2.857 -4.821 1.00 1.00 C ATOM 1825 C LYS A 113 1.416 3.778 -4.667 1.00 1.00 C ATOM 1826 O LYS A 113 1.286 4.883 -4.140 1.00 1.00 O ATOM 1827 CB LYS A 113 -0.332 2.886 -6.250 1.00 1.00 C ATOM 1828 CG LYS A 113 -0.581 4.299 -6.818 1.00 1.00 C ATOM 1829 CD LYS A 113 -0.956 4.267 -8.304 1.00 1.00 C ATOM 1830 CE LYS A 113 0.226 3.760 -9.147 1.00 1.00 C ATOM 1831 NZ LYS A 113 -0.087 3.681 -10.584 1.00 1.00 N ATOM 0 H LYS A 113 -1.048 4.219 -3.863 1.00 1.00 H new ATOM 0 HA LYS A 113 0.559 1.846 -4.600 1.00 1.00 H new ATOM 0 HB2 LYS A 113 0.367 2.365 -6.904 1.00 1.00 H new ATOM 0 HB3 LYS A 113 -1.268 2.329 -6.276 1.00 1.00 H new ATOM 0 HG2 LYS A 113 -1.380 4.780 -6.254 1.00 1.00 H new ATOM 0 HG3 LYS A 113 0.314 4.906 -6.684 1.00 1.00 H new ATOM 0 HD2 LYS A 113 -1.821 3.620 -8.453 1.00 1.00 H new ATOM 0 HD3 LYS A 113 -1.244 5.265 -8.634 1.00 1.00 H new ATOM 0 HE2 LYS A 113 1.080 4.422 -9.002 1.00 1.00 H new ATOM 0 HE3 LYS A 113 0.524 2.774 -8.790 1.00 1.00 H new ATOM 0 HZ1 LYS A 113 0.745 3.334 -11.102 1.00 1.00 H new ATOM 0 HZ2 LYS A 113 -0.883 3.028 -10.730 1.00 1.00 H new ATOM 0 HZ3 LYS A 113 -0.344 4.625 -10.936 1.00 1.00 H new ATOM 1845 N GLY A 114 2.545 3.383 -5.240 1.00 1.00 N ATOM 1846 CA GLY A 114 3.652 4.282 -5.488 1.00 1.00 C ATOM 1847 C GLY A 114 4.855 3.507 -5.980 1.00 1.00 C ATOM 1848 O GLY A 114 4.946 2.297 -5.771 1.00 1.00 O ATOM 0 H GLY A 114 2.714 2.425 -5.545 1.00 1.00 H new ATOM 0 HA2 GLY A 114 3.364 5.029 -6.228 1.00 1.00 H new ATOM 0 HA3 GLY A 114 3.905 4.819 -4.574 1.00 1.00 H new ATOM 1852 N TRP A 115 5.805 4.203 -6.594 1.00 1.00 N ATOM 1853 CA TRP A 115 7.147 3.685 -6.707 1.00 1.00 C ATOM 1854 C TRP A 115 7.884 4.094 -5.437 1.00 1.00 C ATOM 1855 O TRP A 115 7.673 5.175 -4.885 1.00 1.00 O ATOM 1856 CB TRP A 115 7.809 4.181 -7.996 1.00 1.00 C ATOM 1857 CG TRP A 115 8.179 5.629 -8.089 1.00 1.00 C ATOM 1858 CD1 TRP A 115 9.202 6.203 -7.425 1.00 1.00 C ATOM 1859 CD2 TRP A 115 7.582 6.702 -8.881 1.00 1.00 C ATOM 1860 NE1 TRP A 115 9.281 7.537 -7.748 1.00 1.00 N ATOM 1861 CE2 TRP A 115 8.388 7.870 -8.732 1.00 1.00 C ATOM 1862 CE3 TRP A 115 6.428 6.828 -9.681 1.00 1.00 C ATOM 1863 CZ2 TRP A 115 8.099 9.082 -9.373 1.00 1.00 C ATOM 1864 CZ3 TRP A 115 6.122 8.040 -10.333 1.00 1.00 C ATOM 1865 CH2 TRP A 115 6.967 9.156 -10.196 1.00 1.00 C ATOM 0 H TRP A 115 5.664 5.121 -7.016 1.00 1.00 H new ATOM 0 HA TRP A 115 7.163 2.598 -6.787 1.00 1.00 H new ATOM 0 HB2 TRP A 115 8.715 3.595 -8.152 1.00 1.00 H new ATOM 0 HB3 TRP A 115 7.137 3.955 -8.824 1.00 1.00 H new ATOM 0 HD1 TRP A 115 9.862 5.691 -6.741 1.00 1.00 H new ATOM 0 HE1 TRP A 115 9.924 8.196 -7.310 1.00 1.00 H new ATOM 0 HE3 TRP A 115 5.767 5.982 -9.796 1.00 1.00 H new ATOM 0 HZ2 TRP A 115 8.736 9.943 -9.235 1.00 1.00 H new ATOM 0 HZ3 TRP A 115 5.233 8.112 -10.942 1.00 1.00 H new ATOM 0 HH2 TRP A 115 6.743 10.070 -10.725 1.00 1.00 H new ATOM 1876 N ILE A 116 8.792 3.247 -4.983 1.00 1.00 N ATOM 1877 CA ILE A 116 9.756 3.599 -3.967 1.00 1.00 C ATOM 1878 C ILE A 116 11.084 3.298 -4.634 1.00 1.00 C ATOM 1879 O ILE A 116 11.423 2.139 -4.904 1.00 1.00 O ATOM 1880 CB ILE A 116 9.475 2.860 -2.642 1.00 1.00 C ATOM 1881 CG1 ILE A 116 8.310 3.477 -1.832 1.00 1.00 C ATOM 1882 CG2 ILE A 116 10.733 2.829 -1.769 1.00 1.00 C ATOM 1883 CD1 ILE A 116 8.610 4.831 -1.161 1.00 1.00 C ATOM 0 H ILE A 116 8.877 2.287 -5.316 1.00 1.00 H new ATOM 0 HA ILE A 116 9.726 4.640 -3.645 1.00 1.00 H new ATOM 0 HB ILE A 116 9.179 1.848 -2.919 1.00 1.00 H new ATOM 0 HG12 ILE A 116 7.455 3.603 -2.497 1.00 1.00 H new ATOM 0 HG13 ILE A 116 8.012 2.767 -1.060 1.00 1.00 H new ATOM 0 HG21 ILE A 116 10.517 2.304 -0.838 1.00 1.00 H new ATOM 0 HG22 ILE A 116 11.532 2.312 -2.300 1.00 1.00 H new ATOM 0 HG23 ILE A 116 11.046 3.849 -1.546 1.00 1.00 H new ATOM 0 HD11 ILE A 116 7.727 5.173 -0.620 1.00 1.00 H new ATOM 0 HD12 ILE A 116 9.440 4.716 -0.464 1.00 1.00 H new ATOM 0 HD13 ILE A 116 8.875 5.564 -1.923 1.00 1.00 H new ATOM 1895 N ASP A 117 11.793 4.360 -4.991 1.00 1.00 N ATOM 1896 CA ASP A 117 13.157 4.275 -5.411 1.00 1.00 C ATOM 1897 C ASP A 117 14.048 3.695 -4.324 1.00 1.00 C ATOM 1898 O ASP A 117 13.823 3.838 -3.119 1.00 1.00 O ATOM 1899 CB ASP A 117 13.696 5.624 -5.873 1.00 1.00 C ATOM 1900 CG ASP A 117 12.744 6.548 -6.644 1.00 1.00 C ATOM 1901 OD1 ASP A 117 11.772 7.057 -6.048 1.00 1.00 O ATOM 1902 OD2 ASP A 117 12.946 6.709 -7.871 1.00 1.00 O ATOM 0 H ASP A 117 11.419 5.309 -4.992 1.00 1.00 H new ATOM 0 HA ASP A 117 13.174 3.595 -6.263 1.00 1.00 H new ATOM 0 HB2 ASP A 117 14.047 6.163 -4.993 1.00 1.00 H new ATOM 0 HB3 ASP A 117 14.567 5.439 -6.502 1.00 1.00 H new ATOM 1907 N LEU A 118 15.118 3.048 -4.770 1.00 1.00 N ATOM 1908 CA LEU A 118 15.988 2.249 -3.919 1.00 1.00 C ATOM 1909 C LEU A 118 17.081 3.114 -3.290 1.00 1.00 C ATOM 1910 O LEU A 118 18.097 2.582 -2.844 1.00 1.00 O ATOM 1911 CB LEU A 118 16.577 1.090 -4.736 1.00 1.00 C ATOM 1912 CG LEU A 118 15.514 0.305 -5.522 1.00 1.00 C ATOM 1913 CD1 LEU A 118 16.193 -0.723 -6.412 1.00 1.00 C ATOM 1914 CD2 LEU A 118 14.423 -0.346 -4.661 1.00 1.00 C ATOM 0 H LEU A 118 15.409 3.065 -5.747 1.00 1.00 H new ATOM 0 HA LEU A 118 15.405 1.831 -3.098 1.00 1.00 H new ATOM 0 HB2 LEU A 118 17.318 1.484 -5.432 1.00 1.00 H new ATOM 0 HB3 LEU A 118 17.100 0.409 -4.065 1.00 1.00 H new ATOM 0 HG LEU A 118 14.982 1.039 -6.127 1.00 1.00 H new ATOM 0 HD11 LEU A 118 15.438 -1.278 -6.968 1.00 1.00 H new ATOM 0 HD12 LEU A 118 16.859 -0.216 -7.111 1.00 1.00 H new ATOM 0 HD13 LEU A 118 16.770 -1.413 -5.796 1.00 1.00 H new ATOM 0 HD21 LEU A 118 13.720 -0.876 -5.304 1.00 1.00 H new ATOM 0 HD22 LEU A 118 14.880 -1.049 -3.965 1.00 1.00 H new ATOM 0 HD23 LEU A 118 13.893 0.425 -4.102 1.00 1.00 H new ATOM 1926 N HIS A 119 16.902 4.438 -3.286 1.00 1.00 N ATOM 1927 CA HIS A 119 17.837 5.385 -2.711 1.00 1.00 C ATOM 1928 C HIS A 119 17.853 5.144 -1.199 1.00 1.00 C ATOM 1929 O HIS A 119 18.715 4.441 -0.678 1.00 1.00 O ATOM 1930 CB HIS A 119 17.440 6.826 -3.090 1.00 1.00 C ATOM 1931 CG HIS A 119 17.038 7.042 -4.528 1.00 1.00 C ATOM 1932 ND1 HIS A 119 17.665 6.537 -5.647 1.00 1.00 N ATOM 1933 CD2 HIS A 119 15.956 7.772 -4.948 1.00 1.00 C ATOM 1934 CE1 HIS A 119 16.984 6.967 -6.721 1.00 1.00 C ATOM 1935 NE2 HIS A 119 15.960 7.749 -6.345 1.00 1.00 N ATOM 0 H HIS A 119 16.080 4.883 -3.695 1.00 1.00 H new ATOM 0 HA HIS A 119 18.845 5.245 -3.101 1.00 1.00 H new ATOM 0 HB2 HIS A 119 16.612 7.134 -2.451 1.00 1.00 H new ATOM 0 HB3 HIS A 119 18.279 7.485 -2.865 1.00 1.00 H new ATOM 0 HD2 HIS A 119 15.236 8.271 -4.317 1.00 1.00 H new ATOM 0 HE1 HIS A 119 17.226 6.719 -7.744 1.00 1.00 H new ATOM 0 HE2 HIS A 119 15.309 8.234 -6.962 1.00 1.00 H new ATOM 1943 N ARG A 120 16.851 5.668 -0.495 1.00 1.00 N ATOM 1944 CA ARG A 120 16.661 5.512 0.945 1.00 1.00 C ATOM 1945 C ARG A 120 15.338 4.812 1.246 1.00 1.00 C ATOM 1946 O ARG A 120 14.951 4.735 2.409 1.00 1.00 O ATOM 1947 CB ARG A 120 16.743 6.865 1.665 1.00 1.00 C ATOM 1948 CG ARG A 120 17.966 7.735 1.358 1.00 1.00 C ATOM 1949 CD ARG A 120 19.317 7.181 1.853 1.00 1.00 C ATOM 1950 NE ARG A 120 20.078 6.444 0.830 1.00 1.00 N ATOM 1951 CZ ARG A 120 20.650 6.952 -0.274 1.00 1.00 C ATOM 1952 NH1 ARG A 120 20.506 8.236 -0.610 1.00 1.00 N ATOM 1953 NH2 ARG A 120 21.366 6.145 -1.047 1.00 1.00 N ATOM 0 H ARG A 120 16.122 6.234 -0.929 1.00 1.00 H new ATOM 0 HA ARG A 120 17.469 4.885 1.323 1.00 1.00 H new ATOM 0 HB2 ARG A 120 15.848 7.437 1.418 1.00 1.00 H new ATOM 0 HB3 ARG A 120 16.717 6.681 2.739 1.00 1.00 H new ATOM 0 HG2 ARG A 120 18.026 7.879 0.279 1.00 1.00 H new ATOM 0 HG3 ARG A 120 17.812 8.718 1.803 1.00 1.00 H new ATOM 0 HD2 ARG A 120 19.926 8.009 2.216 1.00 1.00 H new ATOM 0 HD3 ARG A 120 19.137 6.521 2.702 1.00 1.00 H new ATOM 0 HE ARG A 120 20.182 5.440 0.975 1.00 1.00 H new ATOM 0 HH11 ARG A 120 19.950 8.858 -0.022 1.00 1.00 H new ATOM 0 HH12 ARG A 120 20.952 8.595 -1.454 1.00 1.00 H new ATOM 0 HH21 ARG A 120 21.472 5.162 -0.798 1.00 1.00 H new ATOM 0 HH22 ARG A 120 21.810 6.508 -1.891 1.00 1.00 H new ATOM 1967 N LEU A 121 14.631 4.337 0.214 1.00 1.00 N ATOM 1968 CA LEU A 121 13.225 3.963 0.264 1.00 1.00 C ATOM 1969 C LEU A 121 12.380 5.216 0.460 1.00 1.00 C ATOM 1970 O LEU A 121 11.471 5.266 1.291 1.00 1.00 O ATOM 1971 CB LEU A 121 12.863 2.851 1.263 1.00 1.00 C ATOM 1972 CG LEU A 121 13.613 1.520 1.189 1.00 1.00 C ATOM 1973 CD1 LEU A 121 14.078 1.129 -0.222 1.00 1.00 C ATOM 1974 CD2 LEU A 121 14.804 1.439 2.142 1.00 1.00 C ATOM 0 H LEU A 121 15.043 4.200 -0.709 1.00 1.00 H new ATOM 0 HA LEU A 121 12.998 3.503 -0.697 1.00 1.00 H new ATOM 0 HB2 LEU A 121 13.001 3.252 2.267 1.00 1.00 H new ATOM 0 HB3 LEU A 121 11.800 2.638 1.148 1.00 1.00 H new ATOM 0 HG LEU A 121 12.856 0.801 1.504 1.00 1.00 H new ATOM 0 HD11 LEU A 121 14.600 0.173 -0.181 1.00 1.00 H new ATOM 0 HD12 LEU A 121 13.213 1.042 -0.879 1.00 1.00 H new ATOM 0 HD13 LEU A 121 14.752 1.894 -0.608 1.00 1.00 H new ATOM 0 HD21 LEU A 121 15.289 0.469 2.036 1.00 1.00 H new ATOM 0 HD22 LEU A 121 15.516 2.229 1.902 1.00 1.00 H new ATOM 0 HD23 LEU A 121 14.458 1.562 3.168 1.00 1.00 H new ATOM 1986 N ASP A 122 12.677 6.213 -0.362 1.00 1.00 N ATOM 1987 CA ASP A 122 11.909 7.429 -0.511 1.00 1.00 C ATOM 1988 C ASP A 122 11.608 7.473 -2.009 1.00 1.00 C ATOM 1989 O ASP A 122 12.414 6.975 -2.801 1.00 1.00 O ATOM 1990 CB ASP A 122 12.695 8.675 -0.060 1.00 1.00 C ATOM 1991 CG ASP A 122 13.447 8.634 1.277 1.00 1.00 C ATOM 1992 OD1 ASP A 122 13.145 7.815 2.172 1.00 1.00 O ATOM 1993 OD2 ASP A 122 14.333 9.511 1.436 1.00 1.00 O ATOM 0 H ASP A 122 13.497 6.189 -0.968 1.00 1.00 H new ATOM 0 HA ASP A 122 11.013 7.433 0.109 1.00 1.00 H new ATOM 0 HB2 ASP A 122 13.421 8.907 -0.839 1.00 1.00 H new ATOM 0 HB3 ASP A 122 11.995 9.509 -0.019 1.00 1.00 H new ATOM 1998 N GLY A 123 10.469 8.024 -2.418 1.00 1.00 N ATOM 1999 CA GLY A 123 10.002 7.942 -3.798 1.00 1.00 C ATOM 2000 C GLY A 123 8.622 8.572 -3.911 1.00 1.00 C ATOM 2001 O GLY A 123 8.359 9.517 -3.173 1.00 1.00 O ATOM 0 H GLY A 123 9.843 8.541 -1.801 1.00 1.00 H new ATOM 0 HA2 GLY A 123 10.701 8.454 -4.460 1.00 1.00 H new ATOM 0 HA3 GLY A 123 9.964 6.901 -4.118 1.00 1.00 H new ATOM 2005 N MET A 124 7.751 8.148 -4.828 1.00 1.00 N ATOM 2006 CA MET A 124 6.493 8.846 -5.088 1.00 1.00 C ATOM 2007 C MET A 124 5.312 7.888 -5.124 1.00 1.00 C ATOM 2008 O MET A 124 5.407 6.803 -5.686 1.00 1.00 O ATOM 2009 CB MET A 124 6.564 9.571 -6.422 1.00 1.00 C ATOM 2010 CG MET A 124 7.525 10.762 -6.462 1.00 1.00 C ATOM 2011 SD MET A 124 7.100 12.062 -7.658 1.00 1.00 S ATOM 2012 CE MET A 124 5.424 12.563 -7.148 1.00 1.00 C ATOM 0 H MET A 124 7.896 7.320 -5.405 1.00 1.00 H new ATOM 0 HA MET A 124 6.346 9.555 -4.274 1.00 1.00 H new ATOM 0 HB2 MET A 124 6.862 8.858 -7.191 1.00 1.00 H new ATOM 0 HB3 MET A 124 5.565 9.921 -6.682 1.00 1.00 H new ATOM 0 HG2 MET A 124 7.569 11.206 -5.468 1.00 1.00 H new ATOM 0 HG3 MET A 124 8.525 10.393 -6.691 1.00 1.00 H new ATOM 0 HE1 MET A 124 5.070 13.364 -7.797 1.00 1.00 H new ATOM 0 HE2 MET A 124 4.750 11.710 -7.225 1.00 1.00 H new ATOM 0 HE3 MET A 124 5.448 12.915 -6.117 1.00 1.00 H new ATOM 2022 N GLY A 125 4.172 8.304 -4.579 1.00 1.00 N ATOM 2023 CA GLY A 125 2.971 7.493 -4.537 1.00 1.00 C ATOM 2024 C GLY A 125 1.762 8.325 -4.168 1.00 1.00 C ATOM 2025 O GLY A 125 1.844 9.551 -4.070 1.00 1.00 O ATOM 0 H GLY A 125 4.061 9.223 -4.151 1.00 1.00 H new ATOM 0 HA2 GLY A 125 2.811 7.025 -5.508 1.00 1.00 H new ATOM 0 HA3 GLY A 125 3.097 6.689 -3.812 1.00 1.00 H new ATOM 2029 N CYS A 126 0.622 7.658 -4.032 1.00 1.00 N ATOM 2030 CA CYS A 126 -0.680 8.269 -3.853 1.00 1.00 C ATOM 2031 C CYS A 126 -1.720 7.226 -3.505 1.00 1.00 C ATOM 2032 O CYS A 126 -1.417 6.042 -3.330 1.00 1.00 O ATOM 2033 CB CYS A 126 -1.086 8.986 -5.144 1.00 1.00 C ATOM 2034 SG CYS A 126 -1.411 7.882 -6.549 1.00 1.00 S ATOM 0 H CYS A 126 0.583 6.639 -4.045 1.00 1.00 H new ATOM 0 HA CYS A 126 -0.620 8.984 -3.033 1.00 1.00 H new ATOM 0 HB2 CYS A 126 -1.980 9.579 -4.950 1.00 1.00 H new ATOM 0 HB3 CYS A 126 -0.295 9.683 -5.421 1.00 1.00 H new ATOM 0 HG CYS A 126 -2.671 7.561 -6.567 1.00 1.00 H new ATOM 2040 N LEU A 127 -2.971 7.674 -3.463 1.00 1.00 N ATOM 2041 CA LEU A 127 -4.097 6.774 -3.526 1.00 1.00 C ATOM 2042 C LEU A 127 -4.667 6.727 -4.928 1.00 1.00 C ATOM 2043 O LEU A 127 -4.525 7.657 -5.727 1.00 1.00 O ATOM 2044 CB LEU A 127 -5.177 7.205 -2.547 1.00 1.00 C ATOM 2045 CG LEU A 127 -4.666 7.260 -1.105 1.00 1.00 C ATOM 2046 CD1 LEU A 127 -5.859 7.673 -0.269 1.00 1.00 C ATOM 2047 CD2 LEU A 127 -4.092 5.926 -0.610 1.00 1.00 C ATOM 0 H LEU A 127 -3.222 8.660 -3.385 1.00 1.00 H new ATOM 0 HA LEU A 127 -3.748 5.777 -3.255 1.00 1.00 H new ATOM 0 HB2 LEU A 127 -5.554 8.187 -2.834 1.00 1.00 H new ATOM 0 HB3 LEU A 127 -6.016 6.512 -2.607 1.00 1.00 H new ATOM 0 HG LEU A 127 -3.836 7.962 -1.030 1.00 1.00 H new ATOM 0 HD11 LEU A 127 -5.566 7.733 0.779 1.00 1.00 H new ATOM 0 HD12 LEU A 127 -6.217 8.647 -0.602 1.00 1.00 H new ATOM 0 HD13 LEU A 127 -6.655 6.936 -0.381 1.00 1.00 H new ATOM 0 HD21 LEU A 127 -3.749 6.037 0.419 1.00 1.00 H new ATOM 0 HD22 LEU A 127 -4.865 5.159 -0.654 1.00 1.00 H new ATOM 0 HD23 LEU A 127 -3.254 5.633 -1.243 1.00 1.00 H new ATOM 2059 N GLU A 128 -5.367 5.635 -5.164 1.00 1.00 N ATOM 2060 CA GLU A 128 -6.163 5.285 -6.325 1.00 1.00 C ATOM 2061 C GLU A 128 -7.349 4.455 -5.779 1.00 1.00 C ATOM 2062 O GLU A 128 -7.435 4.221 -4.570 1.00 1.00 O ATOM 2063 CB GLU A 128 -5.214 4.547 -7.293 1.00 1.00 C ATOM 2064 CG GLU A 128 -5.681 4.380 -8.734 1.00 1.00 C ATOM 2065 CD GLU A 128 -5.544 5.703 -9.480 1.00 1.00 C ATOM 2066 OE1 GLU A 128 -6.428 6.573 -9.312 1.00 1.00 O ATOM 2067 OE2 GLU A 128 -4.536 5.876 -10.203 1.00 1.00 O ATOM 0 H GLU A 128 -5.395 4.888 -4.470 1.00 1.00 H new ATOM 0 HA GLU A 128 -6.589 6.115 -6.889 1.00 1.00 H new ATOM 0 HB2 GLU A 128 -4.263 5.080 -7.306 1.00 1.00 H new ATOM 0 HB3 GLU A 128 -5.018 3.556 -6.884 1.00 1.00 H new ATOM 0 HG2 GLU A 128 -5.090 3.610 -9.230 1.00 1.00 H new ATOM 0 HG3 GLU A 128 -6.719 4.047 -8.753 1.00 1.00 H new ATOM 2074 N PHE A 129 -8.286 4.007 -6.610 1.00 1.00 N ATOM 2075 CA PHE A 129 -9.418 3.169 -6.183 1.00 1.00 C ATOM 2076 C PHE A 129 -9.144 1.718 -6.598 1.00 1.00 C ATOM 2077 O PHE A 129 -8.616 1.512 -7.694 1.00 1.00 O ATOM 2078 CB PHE A 129 -10.696 3.710 -6.843 1.00 1.00 C ATOM 2079 CG PHE A 129 -12.000 3.093 -6.369 1.00 1.00 C ATOM 2080 CD1 PHE A 129 -12.431 3.265 -5.040 1.00 1.00 C ATOM 2081 CD2 PHE A 129 -12.818 2.394 -7.273 1.00 1.00 C ATOM 2082 CE1 PHE A 129 -13.643 2.696 -4.608 1.00 1.00 C ATOM 2083 CE2 PHE A 129 -14.052 1.864 -6.852 1.00 1.00 C ATOM 2084 CZ PHE A 129 -14.455 1.992 -5.512 1.00 1.00 C ATOM 0 H PHE A 129 -8.287 4.214 -7.609 1.00 1.00 H new ATOM 0 HA PHE A 129 -9.545 3.196 -5.101 1.00 1.00 H new ATOM 0 HB2 PHE A 129 -10.742 4.786 -6.672 1.00 1.00 H new ATOM 0 HB3 PHE A 129 -10.616 3.561 -7.920 1.00 1.00 H new ATOM 0 HD1 PHE A 129 -11.829 3.836 -4.349 1.00 1.00 H new ATOM 0 HD2 PHE A 129 -12.498 2.263 -8.296 1.00 1.00 H new ATOM 0 HE1 PHE A 129 -13.950 2.801 -3.578 1.00 1.00 H new ATOM 0 HE2 PHE A 129 -14.691 1.358 -7.561 1.00 1.00 H new ATOM 0 HZ PHE A 129 -15.383 1.552 -5.179 1.00 1.00 H new ATOM 2094 N ASP A 130 -9.498 0.715 -5.778 1.00 1.00 N ATOM 2095 CA ASP A 130 -9.491 -0.690 -6.210 1.00 1.00 C ATOM 2096 C ASP A 130 -10.941 -1.080 -6.420 1.00 1.00 C ATOM 2097 O ASP A 130 -11.614 -1.563 -5.511 1.00 1.00 O ATOM 2098 CB ASP A 130 -8.780 -1.670 -5.252 1.00 1.00 C ATOM 2099 CG ASP A 130 -8.103 -2.796 -6.055 1.00 1.00 C ATOM 2100 OD1 ASP A 130 -8.793 -3.557 -6.773 1.00 1.00 O ATOM 2101 OD2 ASP A 130 -6.867 -2.976 -5.928 1.00 1.00 O ATOM 0 H ASP A 130 -9.793 0.853 -4.811 1.00 1.00 H new ATOM 0 HA ASP A 130 -8.901 -0.765 -7.124 1.00 1.00 H new ATOM 0 HB2 ASP A 130 -8.036 -1.137 -4.660 1.00 1.00 H new ATOM 0 HB3 ASP A 130 -9.500 -2.094 -4.552 1.00 1.00 H new ATOM 2106 N GLU A 131 -11.455 -0.806 -7.613 1.00 1.00 N ATOM 2107 CA GLU A 131 -12.840 -1.095 -7.950 1.00 1.00 C ATOM 2108 C GLU A 131 -13.139 -2.581 -7.807 1.00 1.00 C ATOM 2109 O GLU A 131 -14.260 -2.968 -7.486 1.00 1.00 O ATOM 2110 CB GLU A 131 -13.178 -0.610 -9.370 1.00 1.00 C ATOM 2111 CG GLU A 131 -12.354 -1.245 -10.501 1.00 1.00 C ATOM 2112 CD GLU A 131 -10.970 -0.623 -10.686 1.00 1.00 C ATOM 2113 OE1 GLU A 131 -10.017 -1.054 -9.997 1.00 1.00 O ATOM 2114 OE2 GLU A 131 -10.814 0.268 -11.552 1.00 1.00 O ATOM 0 H GLU A 131 -10.923 -0.378 -8.371 1.00 1.00 H new ATOM 0 HA GLU A 131 -13.471 -0.551 -7.247 1.00 1.00 H new ATOM 0 HB2 GLU A 131 -14.233 -0.805 -9.560 1.00 1.00 H new ATOM 0 HB3 GLU A 131 -13.042 0.471 -9.408 1.00 1.00 H new ATOM 0 HG2 GLU A 131 -12.238 -2.310 -10.299 1.00 1.00 H new ATOM 0 HG3 GLU A 131 -12.909 -1.156 -11.435 1.00 1.00 H new ATOM 2121 N GLU A 132 -12.144 -3.422 -8.058 1.00 1.00 N ATOM 2122 CA GLU A 132 -12.319 -4.854 -8.059 1.00 1.00 C ATOM 2123 C GLU A 132 -12.127 -5.370 -6.638 1.00 1.00 C ATOM 2124 O GLU A 132 -12.961 -6.145 -6.175 1.00 1.00 O ATOM 2125 CB GLU A 132 -11.382 -5.460 -9.108 1.00 1.00 C ATOM 2126 CG GLU A 132 -11.882 -6.763 -9.730 1.00 1.00 C ATOM 2127 CD GLU A 132 -11.551 -6.835 -11.224 1.00 1.00 C ATOM 2128 OE1 GLU A 132 -12.325 -6.282 -12.037 1.00 1.00 O ATOM 2129 OE2 GLU A 132 -10.493 -7.407 -11.588 1.00 1.00 O ATOM 0 H GLU A 132 -11.192 -3.121 -8.267 1.00 1.00 H new ATOM 0 HA GLU A 132 -13.325 -5.157 -8.350 1.00 1.00 H new ATOM 0 HB2 GLU A 132 -11.226 -4.730 -9.902 1.00 1.00 H new ATOM 0 HB3 GLU A 132 -10.411 -5.642 -8.647 1.00 1.00 H new ATOM 0 HG2 GLU A 132 -11.430 -7.610 -9.215 1.00 1.00 H new ATOM 0 HG3 GLU A 132 -12.960 -6.844 -9.591 1.00 1.00 H new ATOM 2136 N ARG A 133 -11.109 -4.906 -5.888 1.00 1.00 N ATOM 2137 CA ARG A 133 -10.977 -5.414 -4.512 1.00 1.00 C ATOM 2138 C ARG A 133 -12.133 -4.885 -3.652 1.00 1.00 C ATOM 2139 O ARG A 133 -12.493 -5.582 -2.707 1.00 1.00 O ATOM 2140 CB ARG A 133 -9.637 -5.057 -3.855 1.00 1.00 C ATOM 2141 CG ARG A 133 -8.627 -6.218 -3.800 1.00 1.00 C ATOM 2142 CD ARG A 133 -8.820 -7.242 -2.677 1.00 1.00 C ATOM 2143 NE ARG A 133 -8.302 -6.766 -1.377 1.00 1.00 N ATOM 2144 CZ ARG A 133 -9.069 -6.366 -0.354 1.00 1.00 C ATOM 2145 NH1 ARG A 133 -10.364 -6.143 -0.520 1.00 1.00 N ATOM 2146 NH2 ARG A 133 -8.531 -6.189 0.846 1.00 1.00 N ATOM 0 H ARG A 133 -10.409 -4.226 -6.185 1.00 1.00 H new ATOM 0 HA ARG A 133 -11.013 -6.502 -4.576 1.00 1.00 H new ATOM 0 HB2 ARG A 133 -9.188 -4.227 -4.400 1.00 1.00 H new ATOM 0 HB3 ARG A 133 -9.826 -4.707 -2.840 1.00 1.00 H new ATOM 0 HG2 ARG A 133 -8.663 -6.746 -4.753 1.00 1.00 H new ATOM 0 HG3 ARG A 133 -7.627 -5.795 -3.707 1.00 1.00 H new ATOM 0 HD2 ARG A 133 -9.881 -7.472 -2.579 1.00 1.00 H new ATOM 0 HD3 ARG A 133 -8.316 -8.170 -2.947 1.00 1.00 H new ATOM 0 HE ARG A 133 -7.290 -6.740 -1.250 1.00 1.00 H new ATOM 0 HH11 ARG A 133 -10.791 -6.276 -1.437 1.00 1.00 H new ATOM 0 HH12 ARG A 133 -10.934 -5.839 0.269 1.00 1.00 H new ATOM 0 HH21 ARG A 133 -7.535 -6.357 0.988 1.00 1.00 H new ATOM 0 HH22 ARG A 133 -9.113 -5.884 1.626 1.00 1.00 H new ATOM 2160 N ALA A 134 -12.715 -3.713 -3.958 1.00 1.00 N ATOM 2161 CA ALA A 134 -13.926 -3.211 -3.308 1.00 1.00 C ATOM 2162 C ALA A 134 -15.065 -4.207 -3.522 1.00 1.00 C ATOM 2163 O ALA A 134 -15.654 -4.673 -2.550 1.00 1.00 O ATOM 2164 CB ALA A 134 -14.294 -1.796 -3.795 1.00 1.00 C ATOM 0 H ALA A 134 -12.349 -3.084 -4.673 1.00 1.00 H new ATOM 0 HA ALA A 134 -13.740 -3.120 -2.238 1.00 1.00 H new ATOM 0 HB1 ALA A 134 -15.199 -1.461 -3.288 1.00 1.00 H new ATOM 0 HB2 ALA A 134 -13.477 -1.110 -3.571 1.00 1.00 H new ATOM 0 HB3 ALA A 134 -14.467 -1.815 -4.871 1.00 1.00 H new ATOM 2170 N GLN A 135 -15.339 -4.587 -4.774 1.00 1.00 N ATOM 2171 CA GLN A 135 -16.346 -5.591 -5.084 1.00 1.00 C ATOM 2172 C GLN A 135 -16.035 -6.940 -4.424 1.00 1.00 C ATOM 2173 O GLN A 135 -16.970 -7.647 -4.042 1.00 1.00 O ATOM 2174 CB GLN A 135 -16.471 -5.745 -6.604 1.00 1.00 C ATOM 2175 CG GLN A 135 -17.055 -4.491 -7.259 1.00 1.00 C ATOM 2176 CD GLN A 135 -17.048 -4.604 -8.781 1.00 1.00 C ATOM 2177 OE1 GLN A 135 -18.040 -4.991 -9.396 1.00 1.00 O ATOM 2178 NE2 GLN A 135 -15.943 -4.253 -9.418 1.00 1.00 N ATOM 0 H GLN A 135 -14.868 -4.205 -5.594 1.00 1.00 H new ATOM 0 HA GLN A 135 -17.298 -5.251 -4.676 1.00 1.00 H new ATOM 0 HB2 GLN A 135 -15.489 -5.953 -7.030 1.00 1.00 H new ATOM 0 HB3 GLN A 135 -17.105 -6.602 -6.831 1.00 1.00 H new ATOM 0 HG2 GLN A 135 -18.076 -4.337 -6.909 1.00 1.00 H new ATOM 0 HG3 GLN A 135 -16.478 -3.617 -6.955 1.00 1.00 H new ATOM 0 HE21 GLN A 135 -15.130 -3.934 -8.891 1.00 1.00 H new ATOM 0 HE22 GLN A 135 -15.904 -4.301 -10.436 1.00 1.00 H new ATOM 2187 N GLN A 136 -14.758 -7.302 -4.253 1.00 1.00 N ATOM 2188 CA GLN A 136 -14.405 -8.535 -3.559 1.00 1.00 C ATOM 2189 C GLN A 136 -14.809 -8.442 -2.086 1.00 1.00 C ATOM 2190 O GLN A 136 -15.424 -9.370 -1.557 1.00 1.00 O ATOM 2191 CB GLN A 136 -12.900 -8.806 -3.692 1.00 1.00 C ATOM 2192 CG GLN A 136 -12.543 -9.810 -4.787 1.00 1.00 C ATOM 2193 CD GLN A 136 -12.864 -9.332 -6.199 1.00 1.00 C ATOM 2194 OE1 GLN A 136 -14.006 -9.364 -6.651 1.00 1.00 O ATOM 2195 NE2 GLN A 136 -11.860 -8.952 -6.962 1.00 1.00 N ATOM 0 H GLN A 136 -13.961 -6.759 -4.585 1.00 1.00 H new ATOM 0 HA GLN A 136 -14.945 -9.365 -4.014 1.00 1.00 H new ATOM 0 HB2 GLN A 136 -12.389 -7.865 -3.895 1.00 1.00 H new ATOM 0 HB3 GLN A 136 -12.522 -9.175 -2.738 1.00 1.00 H new ATOM 0 HG2 GLN A 136 -11.478 -10.036 -4.725 1.00 1.00 H new ATOM 0 HG3 GLN A 136 -13.078 -10.741 -4.600 1.00 1.00 H new ATOM 0 HE21 GLN A 136 -10.913 -8.927 -6.584 1.00 1.00 H new ATOM 0 HE22 GLN A 136 -12.029 -8.683 -7.931 1.00 1.00 H new ATOM 2204 N GLU A 137 -14.470 -7.330 -1.433 1.00 1.00 N ATOM 2205 CA GLU A 137 -14.727 -7.079 -0.026 1.00 1.00 C ATOM 2206 C GLU A 137 -16.227 -7.021 0.259 1.00 1.00 C ATOM 2207 O GLU A 137 -16.662 -7.450 1.325 1.00 1.00 O ATOM 2208 CB GLU A 137 -14.053 -5.750 0.348 1.00 1.00 C ATOM 2209 CG GLU A 137 -13.759 -5.642 1.842 1.00 1.00 C ATOM 2210 CD GLU A 137 -12.708 -6.673 2.246 1.00 1.00 C ATOM 2211 OE1 GLU A 137 -11.529 -6.504 1.861 1.00 1.00 O ATOM 2212 OE2 GLU A 137 -13.065 -7.694 2.878 1.00 1.00 O ATOM 0 H GLU A 137 -13.992 -6.555 -1.892 1.00 1.00 H new ATOM 0 HA GLU A 137 -14.319 -7.892 0.574 1.00 1.00 H new ATOM 0 HB2 GLU A 137 -13.122 -5.649 -0.210 1.00 1.00 H new ATOM 0 HB3 GLU A 137 -14.696 -4.923 0.047 1.00 1.00 H new ATOM 0 HG2 GLU A 137 -13.405 -4.639 2.079 1.00 1.00 H new ATOM 0 HG3 GLU A 137 -14.674 -5.801 2.413 1.00 1.00 H new ATOM 2219 N ASP A 138 -17.014 -6.539 -0.705 1.00 1.00 N ATOM 2220 CA ASP A 138 -18.469 -6.558 -0.685 1.00 1.00 C ATOM 2221 C ASP A 138 -19.009 -7.969 -0.572 1.00 1.00 C ATOM 2222 O ASP A 138 -19.865 -8.229 0.269 1.00 1.00 O ATOM 2223 CB ASP A 138 -19.049 -5.886 -1.935 1.00 1.00 C ATOM 2224 CG ASP A 138 -19.643 -4.528 -1.612 1.00 1.00 C ATOM 2225 OD1 ASP A 138 -18.931 -3.507 -1.634 1.00 1.00 O ATOM 2226 OD2 ASP A 138 -20.871 -4.504 -1.357 1.00 1.00 O ATOM 0 H ASP A 138 -16.637 -6.110 -1.550 1.00 1.00 H new ATOM 0 HA ASP A 138 -18.779 -5.997 0.197 1.00 1.00 H new ATOM 0 HB2 ASP A 138 -18.266 -5.773 -2.685 1.00 1.00 H new ATOM 0 HB3 ASP A 138 -19.817 -6.526 -2.370 1.00 1.00 H new ATOM 2231 N ALA A 139 -18.540 -8.884 -1.419 1.00 1.00 N ATOM 2232 CA ALA A 139 -18.951 -10.285 -1.329 1.00 1.00 C ATOM 2233 C ALA A 139 -18.530 -10.877 0.020 1.00 1.00 C ATOM 2234 O ALA A 139 -19.274 -11.631 0.654 1.00 1.00 O ATOM 2235 CB ALA A 139 -18.353 -11.078 -2.486 1.00 1.00 C ATOM 0 H ALA A 139 -17.880 -8.683 -2.170 1.00 1.00 H new ATOM 0 HA ALA A 139 -20.037 -10.344 -1.398 1.00 1.00 H new ATOM 0 HB1 ALA A 139 -18.664 -12.120 -2.412 1.00 1.00 H new ATOM 0 HB2 ALA A 139 -18.702 -10.662 -3.431 1.00 1.00 H new ATOM 0 HB3 ALA A 139 -17.265 -11.020 -2.443 1.00 1.00 H new ATOM 2241 N LEU A 140 -17.329 -10.517 0.475 1.00 1.00 N ATOM 2242 CA LEU A 140 -16.791 -10.959 1.742 1.00 1.00 C ATOM 2243 C LEU A 140 -17.522 -10.386 2.948 1.00 1.00 C ATOM 2244 O LEU A 140 -17.439 -10.987 4.023 1.00 1.00 O ATOM 2245 CB LEU A 140 -15.281 -10.695 1.807 1.00 1.00 C ATOM 2246 CG LEU A 140 -14.433 -11.627 0.926 1.00 1.00 C ATOM 2247 CD1 LEU A 140 -12.972 -11.488 1.358 1.00 1.00 C ATOM 2248 CD2 LEU A 140 -14.878 -13.093 0.989 1.00 1.00 C ATOM 0 H LEU A 140 -16.701 -9.901 -0.041 1.00 1.00 H new ATOM 0 HA LEU A 140 -16.957 -12.035 1.795 1.00 1.00 H new ATOM 0 HB2 LEU A 140 -15.092 -9.663 1.510 1.00 1.00 H new ATOM 0 HB3 LEU A 140 -14.952 -10.794 2.841 1.00 1.00 H new ATOM 0 HG LEU A 140 -14.564 -11.327 -0.114 1.00 1.00 H new ATOM 0 HD11 LEU A 140 -12.348 -12.140 0.747 1.00 1.00 H new ATOM 0 HD12 LEU A 140 -12.651 -10.454 1.229 1.00 1.00 H new ATOM 0 HD13 LEU A 140 -12.874 -11.770 2.406 1.00 1.00 H new ATOM 0 HD21 LEU A 140 -14.238 -13.696 0.345 1.00 1.00 H new ATOM 0 HD22 LEU A 140 -14.801 -13.453 2.015 1.00 1.00 H new ATOM 0 HD23 LEU A 140 -15.911 -13.174 0.652 1.00 1.00 H new ATOM 2260 N ALA A 141 -18.290 -9.306 2.793 1.00 1.00 N ATOM 2261 CA ALA A 141 -19.153 -8.721 3.819 1.00 1.00 C ATOM 2262 C ALA A 141 -20.396 -9.594 4.076 1.00 1.00 C ATOM 2263 O ALA A 141 -21.446 -9.093 4.476 1.00 1.00 O ATOM 2264 CB ALA A 141 -19.523 -7.281 3.435 1.00 1.00 C ATOM 0 H ALA A 141 -18.329 -8.794 1.912 1.00 1.00 H new ATOM 0 HA ALA A 141 -18.604 -8.686 4.760 1.00 1.00 H new ATOM 0 HB1 ALA A 141 -20.166 -6.853 4.204 1.00 1.00 H new ATOM 0 HB2 ALA A 141 -18.616 -6.683 3.346 1.00 1.00 H new ATOM 0 HB3 ALA A 141 -20.051 -7.283 2.481 1.00 1.00 H new ATOM 2270 N GLN A 142 -20.263 -10.914 3.920 1.00 1.00 N ATOM 2271 CA GLN A 142 -21.277 -11.941 3.958 1.00 1.00 C ATOM 2272 C GLN A 142 -22.463 -11.534 3.081 1.00 1.00 C ATOM 2273 O GLN A 142 -23.583 -11.389 3.581 1.00 1.00 O ATOM 2274 CB GLN A 142 -21.647 -12.234 5.418 1.00 1.00 C ATOM 2275 CG GLN A 142 -20.499 -12.711 6.332 1.00 1.00 C ATOM 2276 CD GLN A 142 -19.608 -11.623 6.954 1.00 1.00 C ATOM 2277 OE1 GLN A 142 -18.535 -11.921 7.475 1.00 1.00 O ATOM 2278 NE2 GLN A 142 -19.997 -10.356 6.978 1.00 1.00 N ATOM 0 H GLN A 142 -19.343 -11.318 3.747 1.00 1.00 H new ATOM 0 HA GLN A 142 -20.904 -12.876 3.540 1.00 1.00 H new ATOM 0 HB2 GLN A 142 -22.075 -11.330 5.850 1.00 1.00 H new ATOM 0 HB3 GLN A 142 -22.429 -12.993 5.427 1.00 1.00 H new ATOM 0 HG2 GLN A 142 -20.932 -13.299 7.141 1.00 1.00 H new ATOM 0 HG3 GLN A 142 -19.863 -13.382 5.755 1.00 1.00 H new ATOM 0 HE21 GLN A 142 -20.884 -10.087 6.552 1.00 1.00 H new ATOM 0 HE22 GLN A 142 -19.410 -9.651 7.423 1.00 1.00 H new ATOM 2287 N GLN A 143 -22.222 -11.313 1.785 1.00 1.00 N ATOM 2288 CA GLN A 143 -23.239 -10.790 0.873 1.00 1.00 C ATOM 2289 C GLN A 143 -23.677 -11.865 -0.099 1.00 1.00 C ATOM 2290 O GLN A 143 -24.904 -12.036 -0.245 1.00 1.00 O ATOM 2291 CB GLN A 143 -22.722 -9.513 0.200 1.00 1.00 C ATOM 2292 CG GLN A 143 -23.829 -8.711 -0.505 1.00 1.00 C ATOM 2293 CD GLN A 143 -23.415 -7.300 -0.942 1.00 1.00 C ATOM 2294 OE1 GLN A 143 -24.248 -6.494 -1.352 1.00 1.00 O ATOM 2295 NE2 GLN A 143 -22.137 -6.961 -0.897 1.00 1.00 N ATOM 0 H GLN A 143 -21.321 -11.491 1.342 1.00 1.00 H new ATOM 0 HA GLN A 143 -24.135 -10.507 1.425 1.00 1.00 H new ATOM 0 HB2 GLN A 143 -22.246 -8.882 0.950 1.00 1.00 H new ATOM 0 HB3 GLN A 143 -21.955 -9.778 -0.527 1.00 1.00 H new ATOM 0 HG2 GLN A 143 -24.159 -9.267 -1.383 1.00 1.00 H new ATOM 0 HG3 GLN A 143 -24.686 -8.633 0.164 1.00 1.00 H new ATOM 0 HE21 GLN A 143 -21.444 -7.628 -0.557 1.00 1.00 H new ATOM 0 HE22 GLN A 143 -21.845 -6.033 -1.202 1.00 1.00 H new