USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 858 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 54 GLN :FLIP amide:sc= -0.721 F(o=-3.5!,f=-1) USER MOD Set 1.2: A 55 ASN : amide:sc= -0.319 X(o=-1,f=-1.2) USER MOD Set 2.1: A 22 LYS NZ :NH3+ -120:sc= 1.15 (180deg=-0.001) USER MOD Set 2.2: A 24 SER OG : rot -16:sc= 0.445 USER MOD Set 2.3: A 30 CYS SG : rot -23:sc= -0.151 USER MOD Set 3.1: A 11 GLN :FLIP amide:sc= 0.307 F(o=-1.7,f=-0.82) USER MOD Set 3.2: A 20 TYR OH : rot -116:sc= -1.12 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN :FLIP amide:sc= -0.0253 F(o=-2.8!,f=-0.025) USER MOD Single : A 15 ASN : amide:sc= -10.4! C(o=-10!,f=-12!) USER MOD Single : A 21 MET CE :methyl -169:sc= -11.1! (180deg=-12.3!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -130:sc= 0 USER MOD Single : A 33 SER OG : rot -19:sc= -0.0667 USER MOD Single : A 35 GLN :FLIP amide:sc= -1.57 F(o=-4.6!,f=-1.6) USER MOD Single : A 38 GLN :FLIP amide:sc= -1.29 F(o=-4.5!,f=-1.3) USER MOD Single : A 43 CYS SG : rot -26:sc= -1.87 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -98:sc= 1.27 (180deg=-0.677) USER MOD Single : A 65 TYR OH : rot -71:sc= -0.313 USER MOD Single : A 67 ASN : amide:sc= -0.237 K(o=-0.24,f=-1.8!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN :FLIP amide:sc= -2.45! C(o=-5.2!,f=-2.4!) USER MOD Single : A 84 CYS SG : rot 87:sc= 0.359 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc=-0.00115 X(o=-0.0011,f=-0.12) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 GLN : amide:sc= -1.54! C(o=-1.5!,f=-4.3!) USER MOD Single : A 101 LYS NZ :NH3+ 167:sc= -0.0268 (180deg=-0.176) USER MOD Single : A 103 THR OG1 : rot 88:sc= 1.15 USER MOD Single : A 106 LYS NZ :NH3+ 172:sc= 1.24 (180deg=1.12) USER MOD Single : A 107 TYR OH : rot 125:sc= 1.24 USER MOD Single : A 108 LYS NZ :NH3+ -142:sc= 1.21 (180deg=0.741) USER MOD Single : A 109 SER OG : rot -133:sc= 0.563 USER MOD ----------------------------------------------------------------- ATOM 59 N ILE A 5 13.742 8.985 3.284 1.00 0.00 N ATOM 60 CA ILE A 5 12.302 8.914 3.062 1.00 0.00 C ATOM 61 C ILE A 5 11.769 10.086 2.234 1.00 0.00 C ATOM 62 O ILE A 5 10.761 9.940 1.553 1.00 0.00 O ATOM 63 CB ILE A 5 11.510 8.868 4.385 1.00 0.00 C ATOM 64 CG1 ILE A 5 11.879 7.663 5.240 1.00 0.00 C ATOM 65 CG2 ILE A 5 10.032 8.848 4.110 1.00 0.00 C ATOM 66 CD1 ILE A 5 11.915 6.348 4.510 1.00 0.00 C ATOM 0 HA ILE A 5 12.154 7.987 2.508 1.00 0.00 H new ATOM 0 HB ILE A 5 11.774 9.767 4.941 1.00 0.00 H new ATOM 0 HG12 ILE A 5 12.858 7.840 5.686 1.00 0.00 H new ATOM 0 HG13 ILE A 5 11.164 7.586 6.059 1.00 0.00 H new ATOM 0 HG21 ILE A 5 9.487 8.816 5.053 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.752 9.746 3.560 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.784 7.968 3.517 1.00 0.00 H new ATOM 0 HD11 ILE A 5 12.187 5.553 5.205 1.00 0.00 H new ATOM 0 HD12 ILE A 5 10.932 6.139 4.087 1.00 0.00 H new ATOM 0 HD13 ILE A 5 12.652 6.397 3.708 1.00 0.00 H new ATOM 78 N GLU A 6 12.351 11.268 2.410 1.00 0.00 N ATOM 79 CA GLU A 6 11.822 12.491 1.794 1.00 0.00 C ATOM 80 C GLU A 6 11.434 12.287 0.328 1.00 0.00 C ATOM 81 O GLU A 6 10.332 12.651 -0.083 1.00 0.00 O ATOM 82 CB GLU A 6 12.846 13.618 1.908 1.00 0.00 C ATOM 83 CG GLU A 6 13.171 13.990 3.340 1.00 0.00 C ATOM 84 CD GLU A 6 11.948 14.435 4.111 1.00 0.00 C ATOM 85 OE1 GLU A 6 11.273 15.386 3.667 1.00 0.00 O ATOM 86 OE2 GLU A 6 11.672 13.856 5.176 1.00 0.00 O ATOM 0 H GLU A 6 13.189 11.410 2.973 1.00 0.00 H new ATOM 0 HA GLU A 6 10.914 12.758 2.336 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.763 13.319 1.401 1.00 0.00 H new ATOM 0 HB3 GLU A 6 12.467 14.498 1.388 1.00 0.00 H new ATOM 0 HG2 GLU A 6 13.622 13.134 3.842 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.912 14.790 3.346 1.00 0.00 H new ATOM 93 N LYS A 7 12.301 11.638 -0.433 1.00 0.00 N ATOM 94 CA LYS A 7 12.006 11.317 -1.825 1.00 0.00 C ATOM 95 C LYS A 7 10.792 10.390 -1.927 1.00 0.00 C ATOM 96 O LYS A 7 9.925 10.569 -2.785 1.00 0.00 O ATOM 97 CB LYS A 7 13.222 10.659 -2.481 1.00 0.00 C ATOM 98 CG LYS A 7 14.463 11.535 -2.469 1.00 0.00 C ATOM 99 CD LYS A 7 15.654 10.844 -3.117 1.00 0.00 C ATOM 100 CE LYS A 7 16.045 9.572 -2.375 1.00 0.00 C ATOM 101 NZ LYS A 7 17.235 8.922 -2.983 1.00 0.00 N ATOM 0 H LYS A 7 13.216 11.322 -0.112 1.00 0.00 H new ATOM 0 HA LYS A 7 11.774 12.245 -2.347 1.00 0.00 H new ATOM 0 HB2 LYS A 7 13.442 9.724 -1.966 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.976 10.405 -3.512 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.254 12.467 -2.995 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.712 11.798 -1.441 1.00 0.00 H new ATOM 0 HD2 LYS A 7 15.414 10.601 -4.152 1.00 0.00 H new ATOM 0 HD3 LYS A 7 16.503 11.527 -3.138 1.00 0.00 H new ATOM 0 HE2 LYS A 7 16.254 9.809 -1.332 1.00 0.00 H new ATOM 0 HE3 LYS A 7 15.207 8.875 -2.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 17.470 8.060 -2.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 17.027 8.673 -3.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 18.042 9.578 -2.954 1.00 0.00 H new ATOM 115 N ILE A 8 10.758 9.388 -1.061 1.00 0.00 N ATOM 116 CA ILE A 8 9.696 8.397 -1.044 1.00 0.00 C ATOM 117 C ILE A 8 8.349 8.983 -0.602 1.00 0.00 C ATOM 118 O ILE A 8 7.309 8.618 -1.144 1.00 0.00 O ATOM 119 CB ILE A 8 10.084 7.218 -0.137 1.00 0.00 C ATOM 120 CG1 ILE A 8 11.385 6.594 -0.652 1.00 0.00 C ATOM 121 CG2 ILE A 8 8.964 6.196 -0.097 1.00 0.00 C ATOM 122 CD1 ILE A 8 11.918 5.481 0.217 1.00 0.00 C ATOM 0 H ILE A 8 11.471 9.240 -0.347 1.00 0.00 H new ATOM 0 HA ILE A 8 9.571 8.046 -2.068 1.00 0.00 H new ATOM 0 HB ILE A 8 10.244 7.573 0.881 1.00 0.00 H new ATOM 0 HG12 ILE A 8 11.218 6.208 -1.657 1.00 0.00 H new ATOM 0 HG13 ILE A 8 12.143 7.373 -0.732 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.251 5.366 0.549 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.059 6.663 0.293 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.775 5.824 -1.104 1.00 0.00 H new ATOM 0 HD11 ILE A 8 12.840 5.092 -0.215 1.00 0.00 H new ATOM 0 HD12 ILE A 8 12.120 5.865 1.217 1.00 0.00 H new ATOM 0 HD13 ILE A 8 11.180 4.681 0.277 1.00 0.00 H new ATOM 134 N GLN A 9 8.355 9.857 0.401 1.00 0.00 N ATOM 135 CA GLN A 9 7.103 10.434 0.904 1.00 0.00 C ATOM 136 C GLN A 9 6.341 11.168 -0.180 1.00 0.00 C ATOM 137 O GLN A 9 5.146 10.948 -0.343 1.00 0.00 O ATOM 138 CB GLN A 9 7.326 11.377 2.080 1.00 0.00 C ATOM 139 CG GLN A 9 7.592 10.690 3.401 1.00 0.00 C ATOM 140 CD GLN A 9 7.867 11.686 4.511 1.00 0.00 C ATOM 141 OE1 GLN A 9 9.064 11.645 5.068 1.00 0.00 O flip ATOM 142 NE2 GLN A 9 7.013 12.502 4.851 1.00 0.00 N flip ATOM 0 H GLN A 9 9.197 10.180 0.878 1.00 0.00 H new ATOM 0 HA GLN A 9 6.510 9.586 1.246 1.00 0.00 H new ATOM 0 HB2 GLN A 9 8.168 12.030 1.850 1.00 0.00 H new ATOM 0 HB3 GLN A 9 6.449 12.015 2.188 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.733 10.075 3.670 1.00 0.00 H new ATOM 0 HG3 GLN A 9 8.444 10.019 3.296 1.00 0.00 H new ATOM 0 HE21 GLN A 9 6.099 12.503 4.397 1.00 0.00 H new ATOM 0 HE22 GLN A 9 7.218 13.178 5.587 1.00 0.00 H new ATOM 151 N ARG A 10 7.046 11.963 -0.978 1.00 0.00 N ATOM 152 CA ARG A 10 6.420 12.628 -2.114 1.00 0.00 C ATOM 153 C ARG A 10 5.748 11.601 -3.024 1.00 0.00 C ATOM 154 O ARG A 10 4.688 11.857 -3.595 1.00 0.00 O ATOM 155 CB ARG A 10 7.426 13.447 -2.929 1.00 0.00 C ATOM 156 CG ARG A 10 7.744 14.849 -2.406 1.00 0.00 C ATOM 157 CD ARG A 10 8.475 14.884 -1.067 1.00 0.00 C ATOM 158 NE ARG A 10 7.617 14.648 0.095 1.00 0.00 N ATOM 159 CZ ARG A 10 8.042 14.761 1.359 1.00 0.00 C ATOM 160 NH1 ARG A 10 9.310 15.078 1.617 1.00 0.00 N ATOM 161 NH2 ARG A 10 7.196 14.569 2.361 1.00 0.00 N ATOM 0 H ARG A 10 8.040 12.161 -0.861 1.00 0.00 H new ATOM 0 HA ARG A 10 5.674 13.313 -1.712 1.00 0.00 H new ATOM 0 HB2 ARG A 10 8.358 12.884 -2.987 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.046 13.540 -3.947 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.350 15.369 -3.148 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.812 15.405 -2.309 1.00 0.00 H new ATOM 0 HD2 ARG A 10 9.266 14.134 -1.078 1.00 0.00 H new ATOM 0 HD3 ARG A 10 8.958 15.855 -0.956 1.00 0.00 H new ATOM 0 HE ARG A 10 6.645 14.384 -0.067 1.00 0.00 H new ATOM 0 HH11 ARG A 10 9.963 15.236 0.849 1.00 0.00 H new ATOM 0 HH12 ARG A 10 9.628 15.163 2.582 1.00 0.00 H new ATOM 0 HH21 ARG A 10 6.222 14.335 2.168 1.00 0.00 H new ATOM 0 HH22 ARG A 10 7.519 14.655 3.325 1.00 0.00 H new ATOM 175 N GLN A 11 6.365 10.430 -3.120 1.00 0.00 N ATOM 176 CA GLN A 11 5.836 9.335 -3.924 1.00 0.00 C ATOM 177 C GLN A 11 4.552 8.772 -3.323 1.00 0.00 C ATOM 178 O GLN A 11 3.574 8.572 -4.023 1.00 0.00 O ATOM 179 CB GLN A 11 6.887 8.230 -4.058 1.00 0.00 C ATOM 180 CG GLN A 11 6.411 7.012 -4.829 1.00 0.00 C ATOM 181 CD GLN A 11 7.465 5.922 -4.889 1.00 0.00 C ATOM 182 OE1 GLN A 11 7.161 4.774 -4.307 1.00 0.00 O flip ATOM 183 NE2 GLN A 11 8.550 6.119 -5.430 1.00 0.00 N flip ATOM 0 H GLN A 11 7.241 10.213 -2.646 1.00 0.00 H new ATOM 0 HA GLN A 11 5.597 9.727 -4.913 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.767 8.639 -4.553 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.199 7.917 -3.061 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.509 6.617 -4.361 1.00 0.00 H new ATOM 0 HG3 GLN A 11 6.140 7.309 -5.842 1.00 0.00 H new ATOM 0 HE21 GLN A 11 8.745 7.019 -5.868 1.00 0.00 H new ATOM 0 HE22 GLN A 11 9.255 5.382 -5.441 1.00 0.00 H new ATOM 192 N ILE A 12 4.568 8.494 -2.030 1.00 0.00 N ATOM 193 CA ILE A 12 3.403 7.923 -1.358 1.00 0.00 C ATOM 194 C ILE A 12 2.271 8.938 -1.301 1.00 0.00 C ATOM 195 O ILE A 12 1.099 8.602 -1.401 1.00 0.00 O ATOM 196 CB ILE A 12 3.739 7.469 0.080 1.00 0.00 C ATOM 197 CG1 ILE A 12 4.973 6.562 0.091 1.00 0.00 C ATOM 198 CG2 ILE A 12 2.551 6.749 0.699 1.00 0.00 C ATOM 199 CD1 ILE A 12 5.280 5.982 1.452 1.00 0.00 C ATOM 0 H ILE A 12 5.371 8.653 -1.422 1.00 0.00 H new ATOM 0 HA ILE A 12 3.094 7.053 -1.937 1.00 0.00 H new ATOM 0 HB ILE A 12 3.961 8.356 0.674 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.822 5.747 -0.617 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.836 7.131 -0.256 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.803 6.435 1.712 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.694 7.422 0.730 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.303 5.873 0.099 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.166 5.350 1.387 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.463 6.791 2.159 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.433 5.386 1.793 1.00 0.00 H new ATOM 211 N ALA A 13 2.639 10.169 -1.060 1.00 0.00 N ATOM 212 CA ALA A 13 1.673 11.239 -0.902 1.00 0.00 C ATOM 213 C ALA A 13 0.843 11.447 -2.168 1.00 0.00 C ATOM 214 O ALA A 13 -0.314 11.867 -2.094 1.00 0.00 O ATOM 215 CB ALA A 13 2.376 12.529 -0.516 1.00 0.00 C ATOM 0 H ALA A 13 3.611 10.464 -0.967 1.00 0.00 H new ATOM 0 HA ALA A 13 0.989 10.950 -0.104 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.640 13.324 -0.401 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.907 12.387 0.425 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.087 12.803 -1.295 1.00 0.00 H new ATOM 221 N GLU A 14 1.475 11.285 -3.327 1.00 0.00 N ATOM 222 CA GLU A 14 0.814 11.591 -4.590 1.00 0.00 C ATOM 223 C GLU A 14 -0.297 10.588 -4.920 1.00 0.00 C ATOM 224 O GLU A 14 -1.346 10.978 -5.439 1.00 0.00 O ATOM 225 CB GLU A 14 1.818 11.687 -5.743 1.00 0.00 C ATOM 226 CG GLU A 14 2.560 10.400 -6.022 1.00 0.00 C ATOM 227 CD GLU A 14 3.584 10.531 -7.130 1.00 0.00 C ATOM 228 OE1 GLU A 14 3.751 11.644 -7.672 1.00 0.00 O ATOM 229 OE2 GLU A 14 4.226 9.516 -7.474 1.00 0.00 O ATOM 0 H GLU A 14 2.433 10.947 -3.417 1.00 0.00 H new ATOM 0 HA GLU A 14 0.346 12.568 -4.466 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.290 11.993 -6.646 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.542 12.470 -5.516 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.060 10.071 -5.111 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.842 9.625 -6.289 1.00 0.00 H new ATOM 236 N ASN A 15 -0.080 9.302 -4.643 1.00 0.00 N ATOM 237 CA ASN A 15 -1.090 8.296 -4.943 1.00 0.00 C ATOM 238 C ASN A 15 -2.201 8.254 -3.910 1.00 0.00 C ATOM 239 O ASN A 15 -1.961 8.246 -2.706 1.00 0.00 O ATOM 240 CB ASN A 15 -0.469 6.916 -5.092 1.00 0.00 C ATOM 241 CG ASN A 15 0.630 6.674 -4.106 1.00 0.00 C ATOM 242 OD1 ASN A 15 0.400 6.616 -2.908 1.00 0.00 O ATOM 243 ND2 ASN A 15 1.846 6.562 -4.612 1.00 0.00 N ATOM 0 H ASN A 15 0.773 8.939 -4.218 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.535 8.591 -5.893 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.241 6.158 -4.964 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -0.077 6.804 -6.103 1.00 0.00 H new ATOM 0 HD21 ASN A 15 2.645 6.420 -3.994 1.00 0.00 H new ATOM 0 HD22 ASN A 15 1.986 6.617 -5.621 1.00 0.00 H new ATOM 250 N PRO A 16 -3.443 8.186 -4.395 1.00 0.00 N ATOM 251 CA PRO A 16 -4.630 8.088 -3.545 1.00 0.00 C ATOM 252 C PRO A 16 -4.646 6.794 -2.753 1.00 0.00 C ATOM 253 O PRO A 16 -5.035 6.761 -1.586 1.00 0.00 O ATOM 254 CB PRO A 16 -5.783 8.065 -4.558 1.00 0.00 C ATOM 255 CG PRO A 16 -5.205 8.646 -5.799 1.00 0.00 C ATOM 256 CD PRO A 16 -3.793 8.165 -5.821 1.00 0.00 C ATOM 0 HA PRO A 16 -4.680 8.898 -2.818 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.143 7.050 -4.726 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.632 8.650 -4.205 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.750 8.314 -6.683 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.252 9.735 -5.786 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.709 7.165 -6.247 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.148 8.818 -6.409 1.00 0.00 H new ATOM 264 N ILE A 17 -4.269 5.724 -3.434 1.00 0.00 N ATOM 265 CA ILE A 17 -4.294 4.391 -2.869 1.00 0.00 C ATOM 266 C ILE A 17 -3.023 3.678 -3.308 1.00 0.00 C ATOM 267 O ILE A 17 -2.701 3.679 -4.495 1.00 0.00 O ATOM 268 CB ILE A 17 -5.507 3.590 -3.408 1.00 0.00 C ATOM 269 CG1 ILE A 17 -6.816 4.395 -3.318 1.00 0.00 C ATOM 270 CG2 ILE A 17 -5.653 2.274 -2.661 1.00 0.00 C ATOM 271 CD1 ILE A 17 -7.264 4.741 -1.910 1.00 0.00 C ATOM 0 H ILE A 17 -3.936 5.759 -4.398 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.368 4.459 -1.784 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.315 3.386 -4.461 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.695 5.320 -3.882 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.608 3.826 -3.805 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.510 1.726 -3.053 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.750 1.678 -2.793 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.804 2.473 -1.600 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.194 5.308 -1.953 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.424 3.824 -1.343 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.496 5.341 -1.421 1.00 0.00 H new ATOM 283 N LEU A 18 -2.229 3.228 -2.355 1.00 0.00 N ATOM 284 CA LEU A 18 -0.914 2.704 -2.668 1.00 0.00 C ATOM 285 C LEU A 18 -0.652 1.369 -1.976 1.00 0.00 C ATOM 286 O LEU A 18 -1.059 1.151 -0.839 1.00 0.00 O ATOM 287 CB LEU A 18 0.134 3.727 -2.255 1.00 0.00 C ATOM 288 CG LEU A 18 1.553 3.451 -2.731 1.00 0.00 C ATOM 289 CD1 LEU A 18 1.585 3.331 -4.249 1.00 0.00 C ATOM 290 CD2 LEU A 18 2.468 4.575 -2.260 1.00 0.00 C ATOM 0 H LEU A 18 -2.470 3.215 -1.364 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.861 2.522 -3.741 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.171 4.704 -2.630 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.142 3.792 -1.167 1.00 0.00 H new ATOM 0 HG LEU A 18 1.902 2.508 -2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.606 3.134 -4.577 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.938 2.512 -4.563 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.234 4.262 -4.695 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.486 4.382 -2.599 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.122 5.523 -2.673 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.451 4.626 -1.171 1.00 0.00 H new ATOM 302 N LEU A 19 0.007 0.474 -2.691 1.00 0.00 N ATOM 303 CA LEU A 19 0.313 -0.859 -2.199 1.00 0.00 C ATOM 304 C LEU A 19 1.774 -1.205 -2.449 1.00 0.00 C ATOM 305 O LEU A 19 2.201 -1.309 -3.587 1.00 0.00 O ATOM 306 CB LEU A 19 -0.584 -1.872 -2.919 1.00 0.00 C ATOM 307 CG LEU A 19 -0.088 -3.319 -2.902 1.00 0.00 C ATOM 308 CD1 LEU A 19 0.031 -3.848 -1.477 1.00 0.00 C ATOM 309 CD2 LEU A 19 -1.011 -4.197 -3.722 1.00 0.00 C ATOM 0 H LEU A 19 0.347 0.652 -3.636 1.00 0.00 H new ATOM 0 HA LEU A 19 0.132 -0.891 -1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.575 -1.840 -2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.698 -1.557 -3.956 1.00 0.00 H new ATOM 0 HG LEU A 19 0.907 -3.342 -3.347 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.386 -4.878 -1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.737 -3.233 -0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.945 -3.811 -0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.648 -5.225 -3.703 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.016 -4.159 -3.303 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.034 -3.840 -4.751 1.00 0.00 H new ATOM 321 N TYR A 20 2.513 -1.489 -1.394 1.00 0.00 N ATOM 322 CA TYR A 20 3.888 -1.935 -1.551 1.00 0.00 C ATOM 323 C TYR A 20 4.006 -3.444 -1.431 1.00 0.00 C ATOM 324 O TYR A 20 3.737 -4.011 -0.369 1.00 0.00 O ATOM 325 CB TYR A 20 4.797 -1.278 -0.524 1.00 0.00 C ATOM 326 CG TYR A 20 5.077 0.177 -0.791 1.00 0.00 C ATOM 327 CD1 TYR A 20 4.061 1.112 -0.857 1.00 0.00 C ATOM 328 CD2 TYR A 20 6.377 0.609 -1.001 1.00 0.00 C ATOM 329 CE1 TYR A 20 4.337 2.432 -1.121 1.00 0.00 C ATOM 330 CE2 TYR A 20 6.655 1.930 -1.263 1.00 0.00 C ATOM 331 CZ TYR A 20 5.634 2.837 -1.323 1.00 0.00 C ATOM 332 OH TYR A 20 5.909 4.157 -1.594 1.00 0.00 O ATOM 0 H TYR A 20 2.191 -1.421 -0.428 1.00 0.00 H new ATOM 0 HA TYR A 20 4.202 -1.639 -2.552 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.342 -1.374 0.462 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.743 -1.819 -0.493 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.039 0.802 -0.699 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.186 -0.105 -0.958 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.533 3.152 -1.170 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.675 2.249 -1.421 1.00 0.00 H new ATOM 0 HH TYR A 20 6.292 4.234 -2.493 1.00 0.00 H new ATOM 342 N MET A 21 4.512 -4.082 -2.480 1.00 0.00 N ATOM 343 CA MET A 21 4.781 -5.511 -2.435 1.00 0.00 C ATOM 344 C MET A 21 5.983 -5.941 -3.295 1.00 0.00 C ATOM 345 O MET A 21 6.873 -5.143 -3.584 1.00 0.00 O ATOM 346 CB MET A 21 3.524 -6.288 -2.796 1.00 0.00 C ATOM 347 CG MET A 21 2.752 -5.821 -4.028 1.00 0.00 C ATOM 348 SD MET A 21 3.666 -5.944 -5.573 1.00 0.00 S ATOM 349 CE MET A 21 4.582 -4.420 -5.607 1.00 0.00 C ATOM 0 H MET A 21 4.743 -3.634 -3.367 1.00 0.00 H new ATOM 0 HA MET A 21 5.066 -5.749 -1.410 1.00 0.00 H new ATOM 0 HB2 MET A 21 3.802 -7.331 -2.945 1.00 0.00 H new ATOM 0 HB3 MET A 21 2.849 -6.257 -1.941 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.838 -6.410 -4.113 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.450 -4.784 -3.881 1.00 0.00 H new ATOM 0 HE1 MET A 21 5.029 -4.286 -6.592 1.00 0.00 H new ATOM 0 HE2 MET A 21 3.911 -3.587 -5.397 1.00 0.00 H new ATOM 0 HE3 MET A 21 5.368 -4.451 -4.853 1.00 0.00 H new ATOM 359 N LYS A 22 5.992 -7.197 -3.743 1.00 0.00 N ATOM 360 CA LYS A 22 7.066 -7.681 -4.605 1.00 0.00 C ATOM 361 C LYS A 22 6.586 -7.686 -6.045 1.00 0.00 C ATOM 362 O LYS A 22 5.656 -8.399 -6.387 1.00 0.00 O ATOM 363 CB LYS A 22 7.512 -9.086 -4.175 1.00 0.00 C ATOM 364 CG LYS A 22 8.785 -9.581 -4.858 1.00 0.00 C ATOM 365 CD LYS A 22 9.233 -10.920 -4.283 1.00 0.00 C ATOM 366 CE LYS A 22 10.577 -11.379 -4.845 1.00 0.00 C ATOM 367 NZ LYS A 22 10.543 -11.601 -6.316 1.00 0.00 N ATOM 0 H LYS A 22 5.275 -7.889 -3.525 1.00 0.00 H new ATOM 0 HA LYS A 22 7.927 -7.018 -4.517 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.668 -9.090 -3.096 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.706 -9.789 -4.383 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.611 -9.682 -5.929 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.578 -8.844 -4.732 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.305 -10.840 -3.198 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.477 -11.675 -4.497 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.337 -10.633 -4.613 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.876 -12.303 -4.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.785 -12.591 -6.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.589 -11.395 -6.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.231 -10.973 -6.778 1.00 0.00 H new ATOM 381 N GLY A 23 7.157 -6.819 -6.849 1.00 0.00 N ATOM 382 CA GLY A 23 6.682 -6.649 -8.215 1.00 0.00 C ATOM 383 C GLY A 23 7.467 -7.468 -9.210 1.00 0.00 C ATOM 384 O GLY A 23 8.239 -6.926 -10.005 1.00 0.00 O ATOM 0 H GLY A 23 7.943 -6.223 -6.591 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.630 -6.931 -8.268 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.744 -5.596 -8.488 1.00 0.00 H new ATOM 388 N SER A 24 7.296 -8.778 -9.140 1.00 0.00 N ATOM 389 CA SER A 24 8.009 -9.689 -10.013 1.00 0.00 C ATOM 390 C SER A 24 7.370 -9.735 -11.397 1.00 0.00 C ATOM 391 O SER A 24 6.153 -9.677 -11.521 1.00 0.00 O ATOM 392 CB SER A 24 8.025 -11.076 -9.384 1.00 0.00 C ATOM 393 OG SER A 24 8.595 -11.013 -8.090 1.00 0.00 O ATOM 0 H SER A 24 6.664 -9.234 -8.482 1.00 0.00 H new ATOM 0 HA SER A 24 9.032 -9.334 -10.136 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.010 -11.469 -9.325 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.597 -11.762 -10.009 1.00 0.00 H new ATOM 0 HG SER A 24 9.079 -10.167 -7.986 1.00 0.00 H new ATOM 399 N PRO A 25 8.177 -9.866 -12.457 1.00 0.00 N ATOM 400 CA PRO A 25 7.659 -9.961 -13.822 1.00 0.00 C ATOM 401 C PRO A 25 6.684 -11.130 -13.956 1.00 0.00 C ATOM 402 O PRO A 25 5.625 -11.009 -14.572 1.00 0.00 O ATOM 403 CB PRO A 25 8.913 -10.187 -14.677 1.00 0.00 C ATOM 404 CG PRO A 25 9.976 -10.618 -13.721 1.00 0.00 C ATOM 405 CD PRO A 25 9.643 -9.970 -12.409 1.00 0.00 C ATOM 0 HA PRO A 25 7.101 -9.074 -14.123 1.00 0.00 H new ATOM 0 HB2 PRO A 25 8.737 -10.948 -15.438 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.201 -9.275 -15.199 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.997 -11.704 -13.625 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.962 -10.309 -14.069 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.978 -10.572 -11.564 1.00 0.00 H new ATOM 0 HD3 PRO A 25 10.114 -8.992 -12.310 1.00 0.00 H new ATOM 413 N LYS A 26 7.031 -12.239 -13.312 1.00 0.00 N ATOM 414 CA LYS A 26 6.184 -13.427 -13.280 1.00 0.00 C ATOM 415 C LYS A 26 4.871 -13.169 -12.532 1.00 0.00 C ATOM 416 O LYS A 26 3.848 -13.791 -12.831 1.00 0.00 O ATOM 417 CB LYS A 26 6.933 -14.611 -12.647 1.00 0.00 C ATOM 418 CG LYS A 26 7.388 -14.385 -11.208 1.00 0.00 C ATOM 419 CD LYS A 26 8.072 -15.623 -10.651 1.00 0.00 C ATOM 420 CE LYS A 26 8.490 -15.441 -9.200 1.00 0.00 C ATOM 421 NZ LYS A 26 9.103 -16.675 -8.640 1.00 0.00 N ATOM 0 H LYS A 26 7.906 -12.340 -12.798 1.00 0.00 H new ATOM 0 HA LYS A 26 5.936 -13.676 -14.312 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.287 -15.488 -12.675 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.807 -14.839 -13.258 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.073 -13.538 -11.168 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.529 -14.130 -10.587 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.398 -16.476 -10.729 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.950 -15.854 -11.254 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.201 -14.618 -9.128 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.620 -15.165 -8.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.374 -16.509 -7.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.417 -17.455 -8.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.948 -16.925 -9.193 1.00 0.00 H new ATOM 435 N LEU A 27 4.923 -12.314 -11.516 1.00 0.00 N ATOM 436 CA LEU A 27 3.763 -12.051 -10.672 1.00 0.00 C ATOM 437 C LEU A 27 3.975 -10.723 -9.946 1.00 0.00 C ATOM 438 O LEU A 27 4.933 -10.584 -9.180 1.00 0.00 O ATOM 439 CB LEU A 27 3.648 -13.190 -9.650 1.00 0.00 C ATOM 440 CG LEU A 27 2.270 -13.418 -9.003 1.00 0.00 C ATOM 441 CD1 LEU A 27 2.321 -14.619 -8.073 1.00 0.00 C ATOM 442 CD2 LEU A 27 1.795 -12.205 -8.232 1.00 0.00 C ATOM 0 H LEU A 27 5.759 -11.790 -11.257 1.00 0.00 H new ATOM 0 HA LEU A 27 2.852 -11.994 -11.268 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.948 -14.116 -10.141 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.368 -13.003 -8.854 1.00 0.00 H new ATOM 0 HG LEU A 27 1.561 -13.601 -9.811 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.341 -14.771 -7.621 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.601 -15.507 -8.640 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.058 -14.442 -7.290 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.819 -12.412 -7.793 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.508 -11.975 -7.440 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.716 -11.353 -8.907 1.00 0.00 H new ATOM 454 N PRO A 28 3.124 -9.711 -10.205 1.00 0.00 N ATOM 455 CA PRO A 28 3.273 -8.378 -9.612 1.00 0.00 C ATOM 456 C PRO A 28 2.911 -8.314 -8.128 1.00 0.00 C ATOM 457 O PRO A 28 2.556 -7.256 -7.637 1.00 0.00 O ATOM 458 CB PRO A 28 2.306 -7.501 -10.423 1.00 0.00 C ATOM 459 CG PRO A 28 1.857 -8.335 -11.572 1.00 0.00 C ATOM 460 CD PRO A 28 1.992 -9.759 -11.135 1.00 0.00 C ATOM 0 HA PRO A 28 4.314 -8.059 -9.654 1.00 0.00 H new ATOM 0 HB2 PRO A 28 1.458 -7.189 -9.813 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.800 -6.594 -10.770 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.825 -8.106 -11.839 1.00 0.00 H new ATOM 0 HG3 PRO A 28 2.465 -8.140 -12.455 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.085 -10.120 -10.649 1.00 0.00 H new ATOM 0 HD3 PRO A 28 2.189 -10.423 -11.977 1.00 0.00 H new ATOM 468 N SER A 29 3.137 -9.409 -7.413 1.00 0.00 N ATOM 469 CA SER A 29 3.012 -9.461 -5.965 1.00 0.00 C ATOM 470 C SER A 29 3.583 -10.774 -5.432 1.00 0.00 C ATOM 471 O SER A 29 2.873 -11.562 -4.812 1.00 0.00 O ATOM 472 CB SER A 29 1.579 -9.242 -5.517 1.00 0.00 C ATOM 473 OG SER A 29 0.664 -10.034 -6.255 1.00 0.00 O ATOM 0 H SER A 29 3.416 -10.297 -7.830 1.00 0.00 H new ATOM 0 HA SER A 29 3.595 -8.643 -5.542 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.491 -9.479 -4.457 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.321 -8.189 -5.631 1.00 0.00 H new ATOM 0 HG SER A 29 -0.067 -9.469 -6.584 1.00 0.00 H new ATOM 479 N CYS A 30 4.814 -11.075 -5.832 1.00 0.00 N ATOM 480 CA CYS A 30 5.416 -12.386 -5.566 1.00 0.00 C ATOM 481 C CYS A 30 5.434 -12.736 -4.075 1.00 0.00 C ATOM 482 O CYS A 30 5.299 -13.907 -3.712 1.00 0.00 O ATOM 483 CB CYS A 30 6.832 -12.429 -6.136 1.00 0.00 C ATOM 484 SG CYS A 30 7.690 -14.004 -5.914 1.00 0.00 S ATOM 0 H CYS A 30 5.419 -10.431 -6.342 1.00 0.00 H new ATOM 0 HA CYS A 30 4.795 -13.134 -6.058 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.787 -12.203 -7.201 1.00 0.00 H new ATOM 0 HB3 CYS A 30 7.421 -11.641 -5.667 1.00 0.00 H new ATOM 0 HG CYS A 30 7.160 -14.650 -4.918 1.00 0.00 H new ATOM 490 N GLY A 31 5.667 -11.738 -3.227 1.00 0.00 N ATOM 491 CA GLY A 31 5.767 -11.976 -1.793 1.00 0.00 C ATOM 492 C GLY A 31 4.435 -12.332 -1.144 1.00 0.00 C ATOM 493 O GLY A 31 3.678 -13.156 -1.654 1.00 0.00 O ATOM 0 H GLY A 31 5.789 -10.765 -3.506 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.477 -12.784 -1.615 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.171 -11.085 -1.312 1.00 0.00 H new ATOM 497 N PHE A 32 4.160 -11.732 0.009 1.00 0.00 N ATOM 498 CA PHE A 32 2.935 -12.024 0.744 1.00 0.00 C ATOM 499 C PHE A 32 1.730 -11.352 0.124 1.00 0.00 C ATOM 500 O PHE A 32 0.627 -11.863 0.214 1.00 0.00 O ATOM 501 CB PHE A 32 3.028 -11.588 2.202 1.00 0.00 C ATOM 502 CG PHE A 32 3.870 -12.473 3.063 1.00 0.00 C ATOM 503 CD1 PHE A 32 5.239 -12.569 2.879 1.00 0.00 C ATOM 504 CD2 PHE A 32 3.277 -13.193 4.080 1.00 0.00 C ATOM 505 CE1 PHE A 32 6.001 -13.379 3.697 1.00 0.00 C ATOM 506 CE2 PHE A 32 4.032 -14.003 4.905 1.00 0.00 C ATOM 507 CZ PHE A 32 5.398 -14.097 4.712 1.00 0.00 C ATOM 0 H PHE A 32 4.766 -11.043 0.454 1.00 0.00 H new ATOM 0 HA PHE A 32 2.813 -13.106 0.695 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.431 -10.576 2.240 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.022 -11.546 2.620 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.714 -12.006 2.089 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.210 -13.122 4.232 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.068 -13.451 3.544 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.557 -14.561 5.698 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.993 -14.731 5.353 1.00 0.00 H new ATOM 517 N SER A 33 1.922 -10.149 -0.390 1.00 0.00 N ATOM 518 CA SER A 33 0.816 -9.336 -0.892 1.00 0.00 C ATOM 519 C SER A 33 -0.035 -10.074 -1.929 1.00 0.00 C ATOM 520 O SER A 33 -1.122 -9.620 -2.253 1.00 0.00 O ATOM 521 CB SER A 33 1.328 -8.028 -1.471 1.00 0.00 C ATOM 522 OG SER A 33 0.263 -7.200 -1.898 1.00 0.00 O ATOM 0 H SER A 33 2.838 -9.707 -0.473 1.00 0.00 H new ATOM 0 HA SER A 33 0.173 -9.124 -0.038 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.920 -7.504 -0.721 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.990 -8.235 -2.312 1.00 0.00 H new ATOM 0 HG SER A 33 -0.544 -7.742 -2.020 1.00 0.00 H new ATOM 528 N ALA A 34 0.437 -11.228 -2.392 1.00 0.00 N ATOM 529 CA ALA A 34 -0.320 -12.059 -3.322 1.00 0.00 C ATOM 530 C ALA A 34 -1.756 -12.278 -2.832 1.00 0.00 C ATOM 531 O ALA A 34 -2.699 -12.176 -3.611 1.00 0.00 O ATOM 532 CB ALA A 34 0.381 -13.397 -3.525 1.00 0.00 C ATOM 0 H ALA A 34 1.347 -11.611 -2.136 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.369 -11.536 -4.277 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.194 -14.007 -4.221 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.379 -13.227 -3.930 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.461 -13.915 -2.569 1.00 0.00 H new ATOM 538 N GLN A 35 -1.940 -12.533 -1.535 1.00 0.00 N ATOM 539 CA GLN A 35 -3.294 -12.690 -1.014 1.00 0.00 C ATOM 540 C GLN A 35 -3.936 -11.310 -0.774 1.00 0.00 C ATOM 541 O GLN A 35 -5.150 -11.147 -0.887 1.00 0.00 O ATOM 542 CB GLN A 35 -3.342 -13.563 0.267 1.00 0.00 C ATOM 543 CG GLN A 35 -3.155 -12.830 1.588 1.00 0.00 C ATOM 544 CD GLN A 35 -1.745 -12.361 1.835 1.00 0.00 C ATOM 545 OE1 GLN A 35 -1.559 -11.056 1.856 1.00 0.00 O flip ATOM 546 NE2 GLN A 35 -0.828 -13.165 1.987 1.00 0.00 N flip ATOM 0 H GLN A 35 -1.193 -12.632 -0.847 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.874 -13.222 -1.768 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.302 -14.079 0.294 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -2.571 -14.329 0.188 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -3.823 -11.969 1.611 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.456 -13.489 2.403 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.019 -14.167 1.963 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.124 -12.831 2.137 1.00 0.00 H new ATOM 555 N ALA A 36 -3.108 -10.347 -0.361 1.00 0.00 N ATOM 556 CA ALA A 36 -3.567 -9.004 0.007 1.00 0.00 C ATOM 557 C ALA A 36 -4.102 -8.229 -1.188 1.00 0.00 C ATOM 558 O ALA A 36 -5.120 -7.544 -1.093 1.00 0.00 O ATOM 559 CB ALA A 36 -2.439 -8.226 0.672 1.00 0.00 C ATOM 0 H ALA A 36 -2.100 -10.476 -0.272 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.390 -9.126 0.711 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.793 -7.230 0.940 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.116 -8.751 1.571 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.600 -8.139 -0.019 1.00 0.00 H new ATOM 565 N VAL A 37 -3.392 -8.329 -2.300 1.00 0.00 N ATOM 566 CA VAL A 37 -3.751 -7.635 -3.530 1.00 0.00 C ATOM 567 C VAL A 37 -5.184 -7.968 -3.926 1.00 0.00 C ATOM 568 O VAL A 37 -5.923 -7.115 -4.421 1.00 0.00 O ATOM 569 CB VAL A 37 -2.770 -7.995 -4.679 1.00 0.00 C ATOM 570 CG1 VAL A 37 -2.778 -9.485 -4.977 1.00 0.00 C ATOM 571 CG2 VAL A 37 -3.080 -7.207 -5.943 1.00 0.00 C ATOM 0 H VAL A 37 -2.547 -8.895 -2.377 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.679 -6.562 -3.350 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.772 -7.721 -4.338 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.080 -9.698 -5.786 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.479 -10.036 -4.085 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.781 -9.791 -5.274 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.374 -7.484 -6.726 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.094 -7.432 -6.272 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.993 -6.140 -5.737 1.00 0.00 H new ATOM 581 N GLN A 38 -5.561 -9.217 -3.699 1.00 0.00 N ATOM 582 CA GLN A 38 -6.891 -9.689 -4.027 1.00 0.00 C ATOM 583 C GLN A 38 -7.928 -8.973 -3.180 1.00 0.00 C ATOM 584 O GLN A 38 -8.937 -8.502 -3.690 1.00 0.00 O ATOM 585 CB GLN A 38 -6.985 -11.202 -3.801 1.00 0.00 C ATOM 586 CG GLN A 38 -5.798 -11.975 -4.360 1.00 0.00 C ATOM 587 CD GLN A 38 -5.556 -11.745 -5.851 1.00 0.00 C ATOM 588 OE1 GLN A 38 -6.469 -11.059 -6.524 1.00 0.00 O flip ATOM 589 NE2 GLN A 38 -4.569 -12.225 -6.408 1.00 0.00 N flip ATOM 0 H GLN A 38 -4.955 -9.926 -3.285 1.00 0.00 H new ATOM 0 HA GLN A 38 -7.087 -9.475 -5.078 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.064 -11.397 -2.732 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.900 -11.574 -4.262 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.901 -11.693 -3.809 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.957 -13.040 -4.188 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.882 -12.749 -5.866 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.438 -12.099 -7.412 1.00 0.00 H new ATOM 598 N ALA A 39 -7.651 -8.881 -1.889 1.00 0.00 N ATOM 599 CA ALA A 39 -8.537 -8.207 -0.952 1.00 0.00 C ATOM 600 C ALA A 39 -8.742 -6.746 -1.326 1.00 0.00 C ATOM 601 O ALA A 39 -9.842 -6.215 -1.201 1.00 0.00 O ATOM 602 CB ALA A 39 -7.971 -8.303 0.453 1.00 0.00 C ATOM 0 H ALA A 39 -6.810 -9.269 -1.462 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.507 -8.703 -0.993 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.639 -7.796 1.150 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.878 -9.351 0.737 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.989 -7.830 0.483 1.00 0.00 H new ATOM 608 N LEU A 40 -7.654 -6.079 -1.682 1.00 0.00 N ATOM 609 CA LEU A 40 -7.685 -4.647 -1.952 1.00 0.00 C ATOM 610 C LEU A 40 -8.560 -4.349 -3.155 1.00 0.00 C ATOM 611 O LEU A 40 -9.509 -3.571 -3.073 1.00 0.00 O ATOM 612 CB LEU A 40 -6.280 -4.165 -2.275 1.00 0.00 C ATOM 613 CG LEU A 40 -5.940 -2.722 -1.874 1.00 0.00 C ATOM 614 CD1 LEU A 40 -4.588 -2.333 -2.443 1.00 0.00 C ATOM 615 CD2 LEU A 40 -7.009 -1.729 -2.310 1.00 0.00 C ATOM 0 H LEU A 40 -6.735 -6.508 -1.791 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.081 -4.143 -1.071 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.570 -4.831 -1.785 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.123 -4.266 -3.349 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.902 -2.685 -0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.353 -1.308 -2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.823 -3.004 -2.053 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.616 -2.407 -3.530 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.720 -0.724 -2.002 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.114 -1.760 -3.395 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.960 -1.991 -1.846 1.00 0.00 H new ATOM 627 N ALA A 41 -8.202 -4.959 -4.277 1.00 0.00 N ATOM 628 CA ALA A 41 -8.911 -4.751 -5.525 1.00 0.00 C ATOM 629 C ALA A 41 -10.361 -5.153 -5.377 1.00 0.00 C ATOM 630 O ALA A 41 -11.255 -4.563 -5.982 1.00 0.00 O ATOM 631 CB ALA A 41 -8.255 -5.540 -6.647 1.00 0.00 C ATOM 0 H ALA A 41 -7.417 -5.607 -4.344 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.867 -3.691 -5.777 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.800 -5.373 -7.576 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.223 -5.212 -6.767 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.272 -6.602 -6.403 1.00 0.00 H new ATOM 637 N ALA A 42 -10.579 -6.179 -4.574 1.00 0.00 N ATOM 638 CA ALA A 42 -11.920 -6.693 -4.347 1.00 0.00 C ATOM 639 C ALA A 42 -12.767 -5.718 -3.543 1.00 0.00 C ATOM 640 O ALA A 42 -13.938 -5.505 -3.854 1.00 0.00 O ATOM 641 CB ALA A 42 -11.866 -8.036 -3.639 1.00 0.00 C ATOM 0 H ALA A 42 -9.845 -6.674 -4.067 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.387 -6.822 -5.323 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.879 -8.404 -3.478 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.314 -8.749 -4.252 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.365 -7.921 -2.678 1.00 0.00 H new ATOM 647 N CYS A 43 -12.215 -5.228 -2.438 1.00 0.00 N ATOM 648 CA CYS A 43 -12.985 -4.403 -1.525 1.00 0.00 C ATOM 649 C CYS A 43 -13.242 -3.008 -2.099 1.00 0.00 C ATOM 650 O CYS A 43 -14.388 -2.560 -2.162 1.00 0.00 O ATOM 651 CB CYS A 43 -12.281 -4.322 -0.168 1.00 0.00 C ATOM 652 SG CYS A 43 -10.636 -3.580 -0.210 1.00 0.00 S ATOM 0 H CYS A 43 -11.247 -5.388 -2.158 1.00 0.00 H new ATOM 0 HA CYS A 43 -13.959 -4.872 -1.386 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -12.906 -3.747 0.516 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -12.200 -5.328 0.244 1.00 0.00 H new ATOM 0 HG CYS A 43 -10.117 -3.743 -1.391 1.00 0.00 H new ATOM 658 N GLY A 44 -12.178 -2.319 -2.494 1.00 0.00 N ATOM 659 CA GLY A 44 -12.322 -0.979 -3.025 1.00 0.00 C ATOM 660 C GLY A 44 -12.245 -0.918 -4.538 1.00 0.00 C ATOM 661 O GLY A 44 -12.749 -1.800 -5.240 1.00 0.00 O ATOM 0 H GLY A 44 -11.219 -2.665 -2.456 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.278 -0.569 -2.701 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.543 -0.344 -2.603 1.00 0.00 H new ATOM 665 N GLU A 45 -11.618 0.138 -5.033 1.00 0.00 N ATOM 666 CA GLU A 45 -11.468 0.351 -6.461 1.00 0.00 C ATOM 667 C GLU A 45 -10.078 -0.068 -6.936 1.00 0.00 C ATOM 668 O GLU A 45 -9.353 -0.785 -6.239 1.00 0.00 O ATOM 669 CB GLU A 45 -11.696 1.821 -6.825 1.00 0.00 C ATOM 670 CG GLU A 45 -10.693 2.772 -6.189 1.00 0.00 C ATOM 671 CD GLU A 45 -10.718 4.152 -6.811 1.00 0.00 C ATOM 672 OE1 GLU A 45 -11.515 4.377 -7.747 1.00 0.00 O ATOM 673 OE2 GLU A 45 -9.891 5.002 -6.420 1.00 0.00 O ATOM 0 H GLU A 45 -11.200 0.869 -4.457 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.219 -0.264 -6.958 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.649 1.929 -7.909 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -12.702 2.110 -6.519 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.903 2.855 -5.123 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.691 2.353 -6.284 1.00 0.00 H new ATOM 680 N ARG A 46 -9.661 0.544 -8.038 1.00 0.00 N ATOM 681 CA ARG A 46 -8.295 0.433 -8.527 1.00 0.00 C ATOM 682 C ARG A 46 -7.322 1.145 -7.595 1.00 0.00 C ATOM 683 O ARG A 46 -7.730 1.907 -6.721 1.00 0.00 O ATOM 684 CB ARG A 46 -8.172 0.931 -9.973 1.00 0.00 C ATOM 685 CG ARG A 46 -9.037 2.132 -10.289 1.00 0.00 C ATOM 686 CD ARG A 46 -8.727 3.325 -9.404 1.00 0.00 C ATOM 687 NE ARG A 46 -9.673 4.424 -9.621 1.00 0.00 N ATOM 688 CZ ARG A 46 -9.753 5.144 -10.735 1.00 0.00 C ATOM 689 NH1 ARG A 46 -8.814 5.034 -11.667 1.00 0.00 N ATOM 690 NH2 ARG A 46 -10.753 6.003 -10.897 1.00 0.00 N ATOM 0 H ARG A 46 -10.262 1.131 -8.617 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.027 -0.624 -8.533 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.131 1.185 -10.171 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.436 0.118 -10.650 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.895 2.412 -11.333 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.086 1.860 -10.172 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.758 3.020 -8.358 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.714 3.673 -9.604 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.316 4.652 -8.863 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.030 4.396 -11.528 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.876 5.587 -12.522 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.458 6.109 -10.167 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.816 6.557 -11.751 1.00 0.00 H new ATOM 704 N PHE A 47 -6.066 0.766 -7.671 1.00 0.00 N ATOM 705 CA PHE A 47 -5.086 1.231 -6.705 1.00 0.00 C ATOM 706 C PHE A 47 -3.694 1.239 -7.326 1.00 0.00 C ATOM 707 O PHE A 47 -3.429 0.509 -8.284 1.00 0.00 O ATOM 708 CB PHE A 47 -5.122 0.317 -5.472 1.00 0.00 C ATOM 709 CG PHE A 47 -4.709 -1.110 -5.733 1.00 0.00 C ATOM 710 CD1 PHE A 47 -3.374 -1.443 -5.933 1.00 0.00 C ATOM 711 CD2 PHE A 47 -5.654 -2.122 -5.738 1.00 0.00 C ATOM 712 CE1 PHE A 47 -2.996 -2.754 -6.144 1.00 0.00 C ATOM 713 CE2 PHE A 47 -5.281 -3.435 -5.944 1.00 0.00 C ATOM 714 CZ PHE A 47 -3.951 -3.751 -6.149 1.00 0.00 C ATOM 0 H PHE A 47 -5.697 0.140 -8.387 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.327 2.250 -6.403 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.468 0.736 -4.707 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.133 0.320 -5.064 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.623 -0.667 -5.923 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.695 -1.881 -5.579 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.956 -2.999 -6.305 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.028 -4.215 -5.945 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.659 -4.778 -6.313 1.00 0.00 H new ATOM 724 N ALA A 48 -2.794 2.004 -6.737 1.00 0.00 N ATOM 725 CA ALA A 48 -1.410 2.031 -7.182 1.00 0.00 C ATOM 726 C ALA A 48 -0.573 1.115 -6.312 1.00 0.00 C ATOM 727 O ALA A 48 -0.943 0.821 -5.181 1.00 0.00 O ATOM 728 CB ALA A 48 -0.849 3.441 -7.171 1.00 0.00 C ATOM 0 H ALA A 48 -2.996 2.617 -5.947 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.375 1.676 -8.212 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.187 3.423 -7.509 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.437 4.072 -7.837 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.893 3.842 -6.159 1.00 0.00 H new ATOM 734 N TYR A 49 0.496 0.584 -6.871 1.00 0.00 N ATOM 735 CA TYR A 49 1.306 -0.390 -6.169 1.00 0.00 C ATOM 736 C TYR A 49 2.781 -0.067 -6.425 1.00 0.00 C ATOM 737 O TYR A 49 3.124 0.488 -7.472 1.00 0.00 O ATOM 738 CB TYR A 49 0.961 -1.812 -6.662 1.00 0.00 C ATOM 739 CG TYR A 49 1.723 -2.247 -7.887 1.00 0.00 C ATOM 740 CD1 TYR A 49 3.022 -2.689 -7.751 1.00 0.00 C ATOM 741 CD2 TYR A 49 1.154 -2.245 -9.149 1.00 0.00 C ATOM 742 CE1 TYR A 49 3.759 -3.108 -8.826 1.00 0.00 C ATOM 743 CE2 TYR A 49 1.881 -2.670 -10.249 1.00 0.00 C ATOM 744 CZ TYR A 49 3.188 -3.099 -10.083 1.00 0.00 C ATOM 745 OH TYR A 49 3.915 -3.525 -11.172 1.00 0.00 O ATOM 0 H TYR A 49 0.824 0.811 -7.810 1.00 0.00 H new ATOM 0 HA TYR A 49 1.107 -0.349 -5.098 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.156 -2.520 -5.857 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.107 -1.860 -6.877 1.00 0.00 H new ATOM 0 HD1 TYR A 49 3.471 -2.705 -6.769 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.135 -1.910 -9.277 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.777 -3.442 -8.692 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.431 -2.667 -11.231 1.00 0.00 H new ATOM 0 HH TYR A 49 3.365 -3.455 -11.980 1.00 0.00 H new ATOM 755 N VAL A 50 3.644 -0.416 -5.487 1.00 0.00 N ATOM 756 CA VAL A 50 5.069 -0.174 -5.630 1.00 0.00 C ATOM 757 C VAL A 50 5.844 -1.424 -5.279 1.00 0.00 C ATOM 758 O VAL A 50 5.709 -1.957 -4.173 1.00 0.00 O ATOM 759 CB VAL A 50 5.557 0.946 -4.690 1.00 0.00 C ATOM 760 CG1 VAL A 50 7.029 1.239 -4.917 1.00 0.00 C ATOM 761 CG2 VAL A 50 4.728 2.203 -4.859 1.00 0.00 C ATOM 0 H VAL A 50 3.380 -0.871 -4.613 1.00 0.00 H new ATOM 0 HA VAL A 50 5.236 0.120 -6.666 1.00 0.00 H new ATOM 0 HB VAL A 50 5.432 0.598 -3.665 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.350 2.033 -4.242 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.613 0.339 -4.723 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.182 1.556 -5.949 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.096 2.975 -4.183 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.806 2.554 -5.888 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.685 1.985 -4.628 1.00 0.00 H new ATOM 771 N ASP A 51 6.708 -1.851 -6.179 1.00 0.00 N ATOM 772 CA ASP A 51 7.557 -2.985 -5.902 1.00 0.00 C ATOM 773 C ASP A 51 8.701 -2.589 -4.977 1.00 0.00 C ATOM 774 O ASP A 51 9.314 -1.535 -5.135 1.00 0.00 O ATOM 775 CB ASP A 51 8.050 -3.649 -7.196 1.00 0.00 C ATOM 776 CG ASP A 51 8.688 -2.698 -8.189 1.00 0.00 C ATOM 777 OD1 ASP A 51 9.752 -2.136 -7.895 1.00 0.00 O ATOM 778 OD2 ASP A 51 8.118 -2.520 -9.286 1.00 0.00 O ATOM 0 H ASP A 51 6.838 -1.432 -7.100 1.00 0.00 H new ATOM 0 HA ASP A 51 6.965 -3.736 -5.379 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.772 -4.424 -6.939 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.208 -4.146 -7.678 1.00 0.00 H new ATOM 783 N ILE A 52 8.896 -3.387 -3.938 1.00 0.00 N ATOM 784 CA ILE A 52 9.865 -3.084 -2.893 1.00 0.00 C ATOM 785 C ILE A 52 10.548 -4.336 -2.382 1.00 0.00 C ATOM 786 O ILE A 52 11.759 -4.345 -2.253 1.00 0.00 O ATOM 787 CB ILE A 52 9.275 -2.266 -1.726 1.00 0.00 C ATOM 788 CG1 ILE A 52 7.789 -2.539 -1.551 1.00 0.00 C ATOM 789 CG2 ILE A 52 9.531 -0.792 -1.921 1.00 0.00 C ATOM 790 CD1 ILE A 52 7.475 -3.888 -0.974 1.00 0.00 C ATOM 0 H ILE A 52 8.389 -4.261 -3.795 1.00 0.00 H new ATOM 0 HA ILE A 52 10.615 -2.450 -3.366 1.00 0.00 H new ATOM 0 HB ILE A 52 9.778 -2.583 -0.813 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.364 -1.772 -0.904 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.298 -2.447 -2.520 1.00 0.00 H new ATOM 0 HG21 ILE A 52 9.106 -0.235 -1.086 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.605 -0.612 -1.968 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.067 -0.462 -2.851 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.395 -4.002 -0.882 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.867 -4.665 -1.630 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.934 -3.979 0.010 1.00 0.00 H new ATOM 802 N LEU A 53 9.832 -5.461 -2.341 1.00 0.00 N ATOM 803 CA LEU A 53 10.523 -6.735 -2.138 1.00 0.00 C ATOM 804 C LEU A 53 11.416 -7.020 -3.348 1.00 0.00 C ATOM 805 O LEU A 53 12.259 -7.914 -3.325 1.00 0.00 O ATOM 806 CB LEU A 53 9.581 -7.930 -1.899 1.00 0.00 C ATOM 807 CG LEU A 53 8.742 -7.904 -0.617 1.00 0.00 C ATOM 808 CD1 LEU A 53 9.522 -7.264 0.510 1.00 0.00 C ATOM 809 CD2 LEU A 53 7.405 -7.219 -0.823 1.00 0.00 C ATOM 0 H LEU A 53 8.819 -5.519 -2.441 1.00 0.00 H new ATOM 0 HA LEU A 53 11.112 -6.627 -1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 53 8.901 -8.002 -2.748 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.181 -8.840 -1.894 1.00 0.00 H new ATOM 0 HG LEU A 53 8.524 -8.936 -0.343 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.913 -7.253 1.414 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.432 -7.835 0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.784 -6.242 0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.845 -7.225 0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.569 -6.190 -1.142 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.838 -7.750 -1.588 1.00 0.00 H new ATOM 821 N GLN A 54 11.243 -6.203 -4.383 1.00 0.00 N ATOM 822 CA GLN A 54 12.043 -6.292 -5.587 1.00 0.00 C ATOM 823 C GLN A 54 13.202 -5.275 -5.534 1.00 0.00 C ATOM 824 O GLN A 54 14.354 -5.648 -5.744 1.00 0.00 O ATOM 825 CB GLN A 54 11.131 -6.103 -6.825 1.00 0.00 C ATOM 826 CG GLN A 54 11.843 -6.241 -8.172 1.00 0.00 C ATOM 827 CD GLN A 54 12.572 -4.986 -8.628 1.00 0.00 C ATOM 828 OE1 GLN A 54 12.248 -3.855 -8.027 1.00 0.00 O flip ATOM 829 NE2 GLN A 54 13.360 -5.022 -9.572 1.00 0.00 N flip ATOM 0 H GLN A 54 10.542 -5.462 -4.404 1.00 0.00 H new ATOM 0 HA GLN A 54 12.500 -7.279 -5.665 1.00 0.00 H new ATOM 0 HB2 GLN A 54 10.324 -6.834 -6.780 1.00 0.00 H new ATOM 0 HB3 GLN A 54 10.670 -5.116 -6.773 1.00 0.00 H new ATOM 0 HG2 GLN A 54 12.559 -7.060 -8.108 1.00 0.00 H new ATOM 0 HG3 GLN A 54 11.110 -6.517 -8.930 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.588 -5.913 -10.013 1.00 0.00 H new ATOM 0 HE22 GLN A 54 13.786 -4.161 -9.914 1.00 0.00 H new ATOM 838 N ASN A 55 12.917 -4.017 -5.161 1.00 0.00 N ATOM 839 CA ASN A 55 13.984 -3.012 -4.989 1.00 0.00 C ATOM 840 C ASN A 55 14.622 -3.123 -3.611 1.00 0.00 C ATOM 841 O ASN A 55 13.969 -2.844 -2.614 1.00 0.00 O ATOM 842 CB ASN A 55 13.449 -1.580 -5.130 1.00 0.00 C ATOM 843 CG ASN A 55 12.879 -1.271 -6.494 1.00 0.00 C ATOM 844 OD1 ASN A 55 13.558 -1.382 -7.512 1.00 0.00 O ATOM 845 ND2 ASN A 55 11.629 -0.854 -6.518 1.00 0.00 N ATOM 0 H ASN A 55 11.975 -3.673 -4.975 1.00 0.00 H new ATOM 0 HA ASN A 55 14.716 -3.213 -5.771 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.677 -1.416 -4.379 1.00 0.00 H new ATOM 0 HB3 ASN A 55 14.256 -0.879 -4.917 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.190 -0.609 -7.406 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.101 -0.776 -5.649 1.00 0.00 H new ATOM 852 N PRO A 56 15.915 -3.453 -3.532 1.00 0.00 N ATOM 853 CA PRO A 56 16.638 -3.530 -2.260 1.00 0.00 C ATOM 854 C PRO A 56 16.697 -2.192 -1.516 1.00 0.00 C ATOM 855 O PRO A 56 16.551 -2.151 -0.294 1.00 0.00 O ATOM 856 CB PRO A 56 18.049 -3.979 -2.668 1.00 0.00 C ATOM 857 CG PRO A 56 17.879 -4.553 -4.030 1.00 0.00 C ATOM 858 CD PRO A 56 16.797 -3.732 -4.660 1.00 0.00 C ATOM 0 HA PRO A 56 16.142 -4.208 -1.566 1.00 0.00 H new ATOM 0 HB2 PRO A 56 18.746 -3.141 -2.675 1.00 0.00 H new ATOM 0 HB3 PRO A 56 18.447 -4.718 -1.973 1.00 0.00 H new ATOM 0 HG2 PRO A 56 18.805 -4.493 -4.603 1.00 0.00 H new ATOM 0 HG3 PRO A 56 17.600 -5.606 -3.983 1.00 0.00 H new ATOM 0 HD2 PRO A 56 17.189 -2.817 -5.105 1.00 0.00 H new ATOM 0 HD3 PRO A 56 16.283 -4.277 -5.452 1.00 0.00 H new ATOM 866 N ASP A 57 16.996 -1.119 -2.245 1.00 0.00 N ATOM 867 CA ASP A 57 17.183 0.202 -1.635 1.00 0.00 C ATOM 868 C ASP A 57 15.917 0.675 -0.942 1.00 0.00 C ATOM 869 O ASP A 57 15.932 1.068 0.224 1.00 0.00 O ATOM 870 CB ASP A 57 17.552 1.246 -2.699 1.00 0.00 C ATOM 871 CG ASP A 57 18.839 0.952 -3.446 1.00 0.00 C ATOM 872 OD1 ASP A 57 19.498 -0.065 -3.153 1.00 0.00 O ATOM 873 OD2 ASP A 57 19.195 1.750 -4.339 1.00 0.00 O ATOM 0 H ASP A 57 17.115 -1.135 -3.258 1.00 0.00 H new ATOM 0 HA ASP A 57 17.988 0.101 -0.907 1.00 0.00 H new ATOM 0 HB2 ASP A 57 16.737 1.317 -3.419 1.00 0.00 H new ATOM 0 HB3 ASP A 57 17.639 2.221 -2.219 1.00 0.00 H new ATOM 878 N ILE A 58 14.836 0.697 -1.702 1.00 0.00 N ATOM 879 CA ILE A 58 13.560 1.194 -1.220 1.00 0.00 C ATOM 880 C ILE A 58 13.004 0.270 -0.138 1.00 0.00 C ATOM 881 O ILE A 58 12.408 0.724 0.839 1.00 0.00 O ATOM 882 CB ILE A 58 12.554 1.320 -2.384 1.00 0.00 C ATOM 883 CG1 ILE A 58 13.176 2.121 -3.534 1.00 0.00 C ATOM 884 CG2 ILE A 58 11.281 1.997 -1.908 1.00 0.00 C ATOM 885 CD1 ILE A 58 12.269 2.270 -4.739 1.00 0.00 C ATOM 0 H ILE A 58 14.818 0.372 -2.669 1.00 0.00 H new ATOM 0 HA ILE A 58 13.716 2.183 -0.788 1.00 0.00 H new ATOM 0 HB ILE A 58 12.307 0.320 -2.742 1.00 0.00 H new ATOM 0 HG12 ILE A 58 13.445 3.112 -3.169 1.00 0.00 H new ATOM 0 HG13 ILE A 58 14.100 1.634 -3.845 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.580 2.079 -2.739 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.831 1.406 -1.111 1.00 0.00 H new ATOM 0 HG23 ILE A 58 11.517 2.993 -1.532 1.00 0.00 H new ATOM 0 HD11 ILE A 58 12.779 2.848 -5.509 1.00 0.00 H new ATOM 0 HD12 ILE A 58 12.020 1.284 -5.131 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.355 2.785 -4.445 1.00 0.00 H new ATOM 897 N ARG A 59 13.239 -1.024 -0.319 1.00 0.00 N ATOM 898 CA ARG A 59 12.810 -2.054 0.624 1.00 0.00 C ATOM 899 C ARG A 59 13.361 -1.804 2.020 1.00 0.00 C ATOM 900 O ARG A 59 12.791 -2.265 3.001 1.00 0.00 O ATOM 901 CB ARG A 59 13.276 -3.425 0.132 1.00 0.00 C ATOM 902 CG ARG A 59 12.886 -4.592 1.022 1.00 0.00 C ATOM 903 CD ARG A 59 13.373 -5.903 0.431 1.00 0.00 C ATOM 904 NE ARG A 59 13.043 -7.054 1.269 1.00 0.00 N ATOM 905 CZ ARG A 59 13.345 -8.310 0.947 1.00 0.00 C ATOM 906 NH1 ARG A 59 13.952 -8.575 -0.205 1.00 0.00 N ATOM 907 NH2 ARG A 59 13.035 -9.300 1.775 1.00 0.00 N ATOM 0 H ARG A 59 13.736 -1.393 -1.130 1.00 0.00 H new ATOM 0 HA ARG A 59 11.722 -2.023 0.680 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.868 -3.595 -0.864 1.00 0.00 H new ATOM 0 HB3 ARG A 59 14.361 -3.409 0.033 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.311 -4.455 2.016 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.803 -4.620 1.139 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.931 -6.039 -0.556 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.453 -5.856 0.293 1.00 0.00 H new ATOM 0 HE ARG A 59 12.555 -6.886 2.149 1.00 0.00 H new ATOM 0 HH11 ARG A 59 14.187 -7.816 -0.844 1.00 0.00 H new ATOM 0 HH12 ARG A 59 14.183 -9.538 -0.450 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.565 -9.098 2.658 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.266 -10.262 1.528 1.00 0.00 H new ATOM 921 N ALA A 60 14.557 -1.252 2.094 1.00 0.00 N ATOM 922 CA ALA A 60 15.249 -1.153 3.366 1.00 0.00 C ATOM 923 C ALA A 60 14.785 0.028 4.218 1.00 0.00 C ATOM 924 O ALA A 60 14.648 -0.113 5.427 1.00 0.00 O ATOM 925 CB ALA A 60 16.749 -1.076 3.134 1.00 0.00 C ATOM 0 H ALA A 60 15.066 -0.869 1.298 1.00 0.00 H new ATOM 0 HA ALA A 60 15.003 -2.054 3.928 1.00 0.00 H new ATOM 0 HB1 ALA A 60 17.262 -1.002 4.093 1.00 0.00 H new ATOM 0 HB2 ALA A 60 17.083 -1.973 2.612 1.00 0.00 H new ATOM 0 HB3 ALA A 60 16.979 -0.198 2.530 1.00 0.00 H new ATOM 931 N GLU A 61 14.789 1.221 3.638 1.00 0.00 N ATOM 932 CA GLU A 61 14.637 2.445 4.431 1.00 0.00 C ATOM 933 C GLU A 61 13.190 2.811 4.712 1.00 0.00 C ATOM 934 O GLU A 61 12.826 3.183 5.828 1.00 0.00 O ATOM 935 CB GLU A 61 15.306 3.610 3.713 1.00 0.00 C ATOM 936 CG GLU A 61 16.773 3.355 3.426 1.00 0.00 C ATOM 937 CD GLU A 61 17.536 2.981 4.681 1.00 0.00 C ATOM 938 OE1 GLU A 61 17.562 3.790 5.629 1.00 0.00 O ATOM 939 OE2 GLU A 61 18.089 1.866 4.737 1.00 0.00 O ATOM 0 H GLU A 61 14.894 1.372 2.635 1.00 0.00 H new ATOM 0 HA GLU A 61 15.113 2.246 5.391 1.00 0.00 H new ATOM 0 HB2 GLU A 61 14.784 3.801 2.775 1.00 0.00 H new ATOM 0 HB3 GLU A 61 15.210 4.510 4.321 1.00 0.00 H new ATOM 0 HG2 GLU A 61 16.866 2.554 2.692 1.00 0.00 H new ATOM 0 HG3 GLU A 61 17.217 4.247 2.983 1.00 0.00 H new ATOM 946 N LEU A 62 12.423 2.840 3.654 1.00 0.00 N ATOM 947 CA LEU A 62 11.053 3.315 3.681 1.00 0.00 C ATOM 948 C LEU A 62 10.116 2.545 4.615 1.00 0.00 C ATOM 949 O LEU A 62 9.328 3.172 5.326 1.00 0.00 O ATOM 950 CB LEU A 62 10.563 3.352 2.255 1.00 0.00 C ATOM 951 CG LEU A 62 9.107 2.993 1.989 1.00 0.00 C ATOM 952 CD1 LEU A 62 8.132 4.003 2.550 1.00 0.00 C ATOM 953 CD2 LEU A 62 8.937 2.880 0.512 1.00 0.00 C ATOM 0 H LEU A 62 12.732 2.531 2.732 1.00 0.00 H new ATOM 0 HA LEU A 62 11.043 4.313 4.119 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.735 4.357 1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 62 11.186 2.675 1.670 1.00 0.00 H new ATOM 0 HG LEU A 62 8.883 2.053 2.494 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.113 3.688 2.326 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.261 4.073 3.630 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.318 4.978 2.099 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.903 2.623 0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.187 3.832 0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.597 2.102 0.128 1.00 0.00 H new ATOM 965 N PRO A 63 10.181 1.213 4.680 1.00 0.00 N ATOM 966 CA PRO A 63 9.321 0.455 5.585 1.00 0.00 C ATOM 967 C PRO A 63 9.546 0.865 7.024 1.00 0.00 C ATOM 968 O PRO A 63 8.599 0.955 7.816 1.00 0.00 O ATOM 969 CB PRO A 63 9.764 -0.986 5.379 1.00 0.00 C ATOM 970 CG PRO A 63 11.133 -0.876 4.824 1.00 0.00 C ATOM 971 CD PRO A 63 11.097 0.331 3.945 1.00 0.00 C ATOM 0 HA PRO A 63 8.262 0.617 5.383 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.759 -1.541 6.317 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.099 -1.512 4.694 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.873 -0.765 5.617 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.403 -1.768 4.259 1.00 0.00 H new ATOM 0 HD2 PRO A 63 12.084 0.777 3.823 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.727 0.098 2.946 1.00 0.00 H new ATOM 979 N LYS A 64 10.819 1.100 7.344 1.00 0.00 N ATOM 980 CA LYS A 64 11.223 1.483 8.687 1.00 0.00 C ATOM 981 C LYS A 64 10.455 2.711 9.105 1.00 0.00 C ATOM 982 O LYS A 64 10.040 2.852 10.257 1.00 0.00 O ATOM 983 CB LYS A 64 12.704 1.826 8.741 1.00 0.00 C ATOM 984 CG LYS A 64 13.618 0.829 8.062 1.00 0.00 C ATOM 985 CD LYS A 64 15.072 1.185 8.325 1.00 0.00 C ATOM 986 CE LYS A 64 15.375 2.625 7.918 1.00 0.00 C ATOM 987 NZ LYS A 64 16.813 2.975 8.067 1.00 0.00 N ATOM 0 H LYS A 64 11.591 1.029 6.681 1.00 0.00 H new ATOM 0 HA LYS A 64 11.021 0.641 9.349 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.852 2.803 8.281 1.00 0.00 H new ATOM 0 HB3 LYS A 64 13.002 1.917 9.785 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.410 -0.176 8.430 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.426 0.821 6.989 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.296 1.050 9.383 1.00 0.00 H new ATOM 0 HD3 LYS A 64 15.720 0.505 7.773 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.075 2.776 6.881 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.776 3.303 8.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.957 3.475 8.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 17.384 2.106 8.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 17.104 3.589 7.280 1.00 0.00 H new ATOM 1001 N TYR A 65 10.327 3.629 8.161 1.00 0.00 N ATOM 1002 CA TYR A 65 9.681 4.885 8.421 1.00 0.00 C ATOM 1003 C TYR A 65 8.219 4.657 8.783 1.00 0.00 C ATOM 1004 O TYR A 65 7.699 5.307 9.693 1.00 0.00 O ATOM 1005 CB TYR A 65 9.885 5.847 7.234 1.00 0.00 C ATOM 1006 CG TYR A 65 8.668 6.282 6.428 1.00 0.00 C ATOM 1007 CD1 TYR A 65 7.541 6.837 7.028 1.00 0.00 C ATOM 1008 CD2 TYR A 65 8.691 6.205 5.043 1.00 0.00 C ATOM 1009 CE1 TYR A 65 6.474 7.274 6.274 1.00 0.00 C ATOM 1010 CE2 TYR A 65 7.634 6.660 4.289 1.00 0.00 C ATOM 1011 CZ TYR A 65 6.528 7.188 4.906 1.00 0.00 C ATOM 1012 OH TYR A 65 5.477 7.653 4.152 1.00 0.00 O ATOM 0 H TYR A 65 10.667 3.518 7.206 1.00 0.00 H new ATOM 0 HA TYR A 65 10.138 5.369 9.284 1.00 0.00 H new ATOM 0 HB2 TYR A 65 10.367 6.747 7.617 1.00 0.00 H new ATOM 0 HB3 TYR A 65 10.587 5.378 6.545 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.502 6.927 8.104 1.00 0.00 H new ATOM 0 HD2 TYR A 65 9.553 5.781 4.549 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.599 7.682 6.758 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.675 6.602 3.211 1.00 0.00 H new ATOM 0 HH TYR A 65 4.710 7.051 4.253 1.00 0.00 H new ATOM 1022 N ALA A 66 7.527 3.796 8.032 1.00 0.00 N ATOM 1023 CA ALA A 66 6.110 3.616 8.282 1.00 0.00 C ATOM 1024 C ALA A 66 5.839 2.808 9.550 1.00 0.00 C ATOM 1025 O ALA A 66 5.271 3.340 10.506 1.00 0.00 O ATOM 1026 CB ALA A 66 5.495 2.908 7.101 1.00 0.00 C ATOM 0 H ALA A 66 7.915 3.234 7.274 1.00 0.00 H new ATOM 0 HA ALA A 66 5.668 4.602 8.424 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.429 2.766 7.277 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.638 3.508 6.202 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.973 1.937 6.969 1.00 0.00 H new ATOM 1032 N ASN A 67 6.400 1.597 9.623 1.00 0.00 N ATOM 1033 CA ASN A 67 6.381 0.801 10.855 1.00 0.00 C ATOM 1034 C ASN A 67 7.208 -0.473 10.668 1.00 0.00 C ATOM 1035 O ASN A 67 8.083 -0.810 11.466 1.00 0.00 O ATOM 1036 CB ASN A 67 4.938 0.445 11.240 1.00 0.00 C ATOM 1037 CG ASN A 67 4.824 -0.287 12.565 1.00 0.00 C ATOM 1038 OD1 ASN A 67 5.370 -1.375 12.746 1.00 0.00 O ATOM 1039 ND2 ASN A 67 4.096 0.306 13.495 1.00 0.00 N ATOM 0 H ASN A 67 6.874 1.145 8.841 1.00 0.00 H new ATOM 0 HA ASN A 67 6.818 1.391 11.660 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.348 1.360 11.288 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.504 -0.173 10.455 1.00 0.00 H new ATOM 0 HD21 ASN A 67 3.970 -0.139 14.404 1.00 0.00 H new ATOM 0 HD22 ASN A 67 3.661 1.208 13.304 1.00 0.00 H new ATOM 1046 N TRP A 68 6.822 -1.202 9.619 1.00 0.00 N ATOM 1047 CA TRP A 68 7.377 -2.508 9.260 1.00 0.00 C ATOM 1048 C TRP A 68 8.883 -2.480 9.020 1.00 0.00 C ATOM 1049 O TRP A 68 9.403 -1.544 8.438 1.00 0.00 O ATOM 1050 CB TRP A 68 6.713 -3.016 7.976 1.00 0.00 C ATOM 1051 CG TRP A 68 5.365 -3.670 8.130 1.00 0.00 C ATOM 1052 CD1 TRP A 68 5.048 -4.919 7.691 1.00 0.00 C ATOM 1053 CD2 TRP A 68 4.158 -3.136 8.706 1.00 0.00 C ATOM 1054 NE1 TRP A 68 3.736 -5.205 7.966 1.00 0.00 N ATOM 1055 CE2 TRP A 68 3.168 -4.132 8.589 1.00 0.00 C ATOM 1056 CE3 TRP A 68 3.813 -1.926 9.311 1.00 0.00 C ATOM 1057 CZ2 TRP A 68 1.867 -3.956 9.054 1.00 0.00 C ATOM 1058 CZ3 TRP A 68 2.519 -1.753 9.772 1.00 0.00 C ATOM 1059 CH2 TRP A 68 1.562 -2.763 9.642 1.00 0.00 C ATOM 0 H TRP A 68 6.093 -0.890 8.977 1.00 0.00 H new ATOM 0 HA TRP A 68 7.179 -3.163 10.109 1.00 0.00 H new ATOM 0 HB2 TRP A 68 6.608 -2.175 7.291 1.00 0.00 H new ATOM 0 HB3 TRP A 68 7.387 -3.730 7.503 1.00 0.00 H new ATOM 0 HD1 TRP A 68 5.734 -5.590 7.196 1.00 0.00 H new ATOM 0 HE1 TRP A 68 3.261 -6.079 7.741 1.00 0.00 H new ATOM 0 HE3 TRP A 68 4.544 -1.138 9.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 1.126 -4.736 8.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 2.244 -0.820 10.241 1.00 0.00 H new ATOM 0 HH2 TRP A 68 0.562 -2.596 10.014 1.00 0.00 H new ATOM 1070 N PRO A 69 9.579 -3.585 9.327 1.00 0.00 N ATOM 1071 CA PRO A 69 10.992 -3.733 8.973 1.00 0.00 C ATOM 1072 C PRO A 69 11.170 -3.687 7.453 1.00 0.00 C ATOM 1073 O PRO A 69 12.085 -3.047 6.936 1.00 0.00 O ATOM 1074 CB PRO A 69 11.371 -5.110 9.530 1.00 0.00 C ATOM 1075 CG PRO A 69 10.082 -5.855 9.642 1.00 0.00 C ATOM 1076 CD PRO A 69 9.012 -4.826 9.886 1.00 0.00 C ATOM 0 HA PRO A 69 11.617 -2.936 9.376 1.00 0.00 H new ATOM 0 HB2 PRO A 69 12.067 -5.625 8.868 1.00 0.00 H new ATOM 0 HB3 PRO A 69 11.860 -5.021 10.500 1.00 0.00 H new ATOM 0 HG2 PRO A 69 9.879 -6.417 8.731 1.00 0.00 H new ATOM 0 HG3 PRO A 69 10.120 -6.576 10.459 1.00 0.00 H new ATOM 0 HD2 PRO A 69 8.078 -5.096 9.393 1.00 0.00 H new ATOM 0 HD3 PRO A 69 8.793 -4.722 10.949 1.00 0.00 H new ATOM 1084 N THR A 70 10.206 -4.282 6.757 1.00 0.00 N ATOM 1085 CA THR A 70 10.118 -4.245 5.300 1.00 0.00 C ATOM 1086 C THR A 70 8.650 -4.151 4.877 1.00 0.00 C ATOM 1087 O THR A 70 7.930 -3.274 5.340 1.00 0.00 O ATOM 1088 CB THR A 70 10.804 -5.465 4.648 1.00 0.00 C ATOM 1089 OG1 THR A 70 10.311 -6.691 5.204 1.00 0.00 O ATOM 1090 CG2 THR A 70 12.309 -5.392 4.827 1.00 0.00 C ATOM 0 H THR A 70 9.452 -4.811 7.195 1.00 0.00 H new ATOM 0 HA THR A 70 10.651 -3.361 4.949 1.00 0.00 H new ATOM 0 HB THR A 70 10.570 -5.446 3.584 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.759 -7.449 4.774 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.773 -6.261 4.361 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.687 -4.483 4.359 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.549 -5.380 5.890 1.00 0.00 H new ATOM 1098 N PHE A 71 8.200 -5.025 3.993 1.00 0.00 N ATOM 1099 CA PHE A 71 6.819 -4.974 3.527 1.00 0.00 C ATOM 1100 C PHE A 71 6.264 -6.403 3.479 1.00 0.00 C ATOM 1101 O PHE A 71 6.932 -7.311 3.977 1.00 0.00 O ATOM 1102 CB PHE A 71 6.766 -4.295 2.146 1.00 0.00 C ATOM 1103 CG PHE A 71 7.398 -2.924 2.092 1.00 0.00 C ATOM 1104 CD1 PHE A 71 8.776 -2.784 2.062 1.00 0.00 C ATOM 1105 CD2 PHE A 71 6.615 -1.782 2.039 1.00 0.00 C ATOM 1106 CE1 PHE A 71 9.355 -1.541 1.989 1.00 0.00 C ATOM 1107 CE2 PHE A 71 7.196 -0.528 1.962 1.00 0.00 C ATOM 1108 CZ PHE A 71 8.566 -0.412 1.937 1.00 0.00 C ATOM 0 H PHE A 71 8.762 -5.772 3.585 1.00 0.00 H new ATOM 0 HA PHE A 71 6.203 -4.386 4.208 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.264 -4.938 1.421 1.00 0.00 H new ATOM 0 HB3 PHE A 71 5.724 -4.212 1.837 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.402 -3.663 2.096 1.00 0.00 H new ATOM 0 HD2 PHE A 71 5.539 -1.871 2.058 1.00 0.00 H new ATOM 0 HE1 PHE A 71 10.431 -1.448 1.972 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.576 0.355 1.922 1.00 0.00 H new ATOM 0 HZ PHE A 71 9.024 0.564 1.877 1.00 0.00 H new ATOM 1118 N PRO A 72 5.070 -6.680 2.887 1.00 0.00 N ATOM 1119 CA PRO A 72 4.166 -5.698 2.252 1.00 0.00 C ATOM 1120 C PRO A 72 3.545 -4.702 3.225 1.00 0.00 C ATOM 1121 O PRO A 72 3.279 -5.023 4.386 1.00 0.00 O ATOM 1122 CB PRO A 72 3.064 -6.554 1.621 1.00 0.00 C ATOM 1123 CG PRO A 72 3.082 -7.829 2.386 1.00 0.00 C ATOM 1124 CD PRO A 72 4.505 -8.040 2.824 1.00 0.00 C ATOM 0 HA PRO A 72 4.722 -5.083 1.544 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.093 -6.064 1.694 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.256 -6.726 0.562 1.00 0.00 H new ATOM 0 HG2 PRO A 72 2.415 -7.776 3.246 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.739 -8.658 1.767 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.554 -8.537 3.793 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.051 -8.665 2.117 1.00 0.00 H new ATOM 1132 N GLN A 73 3.208 -3.534 2.694 1.00 0.00 N ATOM 1133 CA GLN A 73 2.490 -2.514 3.443 1.00 0.00 C ATOM 1134 C GLN A 73 1.493 -1.825 2.525 1.00 0.00 C ATOM 1135 O GLN A 73 1.829 -1.445 1.401 1.00 0.00 O ATOM 1136 CB GLN A 73 3.420 -1.434 3.989 1.00 0.00 C ATOM 1137 CG GLN A 73 4.584 -1.916 4.828 1.00 0.00 C ATOM 1138 CD GLN A 73 5.405 -0.748 5.345 1.00 0.00 C ATOM 1139 OE1 GLN A 73 5.495 -0.614 6.654 1.00 0.00 O flip ATOM 1140 NE2 GLN A 73 5.933 0.045 4.574 1.00 0.00 N flip ATOM 0 H GLN A 73 3.425 -3.268 1.733 1.00 0.00 H new ATOM 0 HA GLN A 73 2.000 -3.018 4.276 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.816 -0.866 3.148 1.00 0.00 H new ATOM 0 HB3 GLN A 73 2.828 -0.743 4.589 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.213 -2.503 5.668 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.217 -2.575 4.233 1.00 0.00 H new ATOM 0 HE21 GLN A 73 5.844 -0.087 3.567 1.00 0.00 H new ATOM 0 HE22 GLN A 73 6.461 0.837 4.940 1.00 0.00 H new ATOM 1149 N LEU A 74 0.289 -1.630 3.023 1.00 0.00 N ATOM 1150 CA LEU A 74 -0.749 -0.936 2.281 1.00 0.00 C ATOM 1151 C LEU A 74 -0.825 0.509 2.757 1.00 0.00 C ATOM 1152 O LEU A 74 -0.863 0.767 3.963 1.00 0.00 O ATOM 1153 CB LEU A 74 -2.083 -1.671 2.474 1.00 0.00 C ATOM 1154 CG LEU A 74 -3.262 -1.223 1.597 1.00 0.00 C ATOM 1155 CD1 LEU A 74 -3.792 0.138 2.006 1.00 0.00 C ATOM 1156 CD2 LEU A 74 -2.844 -1.200 0.142 1.00 0.00 C ATOM 0 H LEU A 74 0.001 -1.946 3.949 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.520 -0.927 1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.913 -2.733 2.296 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.379 -1.566 3.518 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.068 -1.944 1.737 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.624 0.414 1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.134 0.100 3.040 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.999 0.880 1.913 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.685 -0.881 -0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.015 -0.504 0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.530 -2.198 -0.162 1.00 0.00 H new ATOM 1168 N TRP A 75 -0.885 1.438 1.812 1.00 0.00 N ATOM 1169 CA TRP A 75 -1.004 2.851 2.131 1.00 0.00 C ATOM 1170 C TRP A 75 -2.315 3.418 1.602 1.00 0.00 C ATOM 1171 O TRP A 75 -2.673 3.225 0.440 1.00 0.00 O ATOM 1172 CB TRP A 75 0.171 3.640 1.565 1.00 0.00 C ATOM 1173 CG TRP A 75 1.482 3.270 2.180 1.00 0.00 C ATOM 1174 CD1 TRP A 75 2.221 2.140 1.973 1.00 0.00 C ATOM 1175 CD2 TRP A 75 2.174 4.026 3.164 1.00 0.00 C ATOM 1176 NE1 TRP A 75 3.362 2.183 2.742 1.00 0.00 N ATOM 1177 CE2 TRP A 75 3.347 3.329 3.486 1.00 0.00 C ATOM 1178 CE3 TRP A 75 1.915 5.242 3.793 1.00 0.00 C ATOM 1179 CZ2 TRP A 75 4.258 3.810 4.414 1.00 0.00 C ATOM 1180 CZ3 TRP A 75 2.821 5.717 4.718 1.00 0.00 C ATOM 1181 CH2 TRP A 75 3.978 5.000 5.021 1.00 0.00 C ATOM 0 H TRP A 75 -0.853 1.235 0.813 1.00 0.00 H new ATOM 0 HA TRP A 75 -0.995 2.946 3.217 1.00 0.00 H new ATOM 0 HB2 TRP A 75 0.224 3.478 0.488 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -0.007 4.704 1.719 1.00 0.00 H new ATOM 0 HD1 TRP A 75 1.951 1.334 1.306 1.00 0.00 H new ATOM 0 HE1 TRP A 75 4.097 1.476 2.754 1.00 0.00 H new ATOM 0 HE3 TRP A 75 1.021 5.802 3.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 5.158 3.262 4.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 2.632 6.657 5.215 1.00 0.00 H new ATOM 0 HH2 TRP A 75 4.668 5.395 5.752 1.00 0.00 H new ATOM 1192 N VAL A 76 -3.016 4.128 2.465 1.00 0.00 N ATOM 1193 CA VAL A 76 -4.283 4.750 2.120 1.00 0.00 C ATOM 1194 C VAL A 76 -4.188 6.253 2.349 1.00 0.00 C ATOM 1195 O VAL A 76 -3.872 6.678 3.463 1.00 0.00 O ATOM 1196 CB VAL A 76 -5.416 4.184 3.002 1.00 0.00 C ATOM 1197 CG1 VAL A 76 -6.739 4.855 2.704 1.00 0.00 C ATOM 1198 CG2 VAL A 76 -5.535 2.689 2.823 1.00 0.00 C ATOM 0 H VAL A 76 -2.723 4.291 3.428 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.502 4.541 1.073 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.160 4.394 4.040 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.514 4.432 3.343 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.655 5.925 2.895 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.002 4.692 1.659 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.339 2.310 3.453 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.755 2.464 1.779 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.597 2.213 3.107 1.00 0.00 H new ATOM 1208 N ASP A 77 -4.436 7.051 1.302 1.00 0.00 N ATOM 1209 CA ASP A 77 -4.351 8.518 1.403 1.00 0.00 C ATOM 1210 C ASP A 77 -2.947 8.913 1.853 1.00 0.00 C ATOM 1211 O ASP A 77 -2.721 9.916 2.528 1.00 0.00 O ATOM 1212 CB ASP A 77 -5.401 8.995 2.396 1.00 0.00 C ATOM 1213 CG ASP A 77 -5.477 10.502 2.583 1.00 0.00 C ATOM 1214 OD1 ASP A 77 -5.725 11.224 1.594 1.00 0.00 O ATOM 1215 OD2 ASP A 77 -5.337 10.968 3.733 1.00 0.00 O ATOM 0 H ASP A 77 -4.697 6.709 0.377 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.540 8.984 0.436 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.377 8.636 2.069 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.199 8.535 3.363 1.00 0.00 H new ATOM 1220 N GLY A 78 -2.016 8.076 1.464 1.00 0.00 N ATOM 1221 CA GLY A 78 -0.623 8.263 1.806 1.00 0.00 C ATOM 1222 C GLY A 78 -0.322 7.973 3.268 1.00 0.00 C ATOM 1223 O GLY A 78 0.634 8.513 3.824 1.00 0.00 O ATOM 0 H GLY A 78 -2.201 7.245 0.901 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.011 7.613 1.180 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.334 9.289 1.579 1.00 0.00 H new ATOM 1227 N GLU A 79 -1.099 7.080 3.880 1.00 0.00 N ATOM 1228 CA GLU A 79 -0.856 6.687 5.266 1.00 0.00 C ATOM 1229 C GLU A 79 -0.997 5.180 5.452 1.00 0.00 C ATOM 1230 O GLU A 79 -1.821 4.535 4.808 1.00 0.00 O ATOM 1231 CB GLU A 79 -1.768 7.431 6.246 1.00 0.00 C ATOM 1232 CG GLU A 79 -1.588 8.940 6.218 1.00 0.00 C ATOM 1233 CD GLU A 79 -2.287 9.648 7.361 1.00 0.00 C ATOM 1234 OE1 GLU A 79 -2.812 8.969 8.270 1.00 0.00 O ATOM 1235 OE2 GLU A 79 -2.265 10.896 7.385 1.00 0.00 O ATOM 0 H GLU A 79 -1.896 6.619 3.441 1.00 0.00 H new ATOM 0 HA GLU A 79 0.173 6.968 5.491 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.806 7.193 6.015 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.575 7.069 7.256 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.524 9.173 6.252 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.969 9.327 5.273 1.00 0.00 H new ATOM 1242 N LEU A 80 -0.068 4.626 6.217 1.00 0.00 N ATOM 1243 CA LEU A 80 0.073 3.189 6.380 1.00 0.00 C ATOM 1244 C LEU A 80 -1.102 2.548 7.116 1.00 0.00 C ATOM 1245 O LEU A 80 -1.439 2.933 8.238 1.00 0.00 O ATOM 1246 CB LEU A 80 1.375 2.904 7.134 1.00 0.00 C ATOM 1247 CG LEU A 80 1.628 1.437 7.454 1.00 0.00 C ATOM 1248 CD1 LEU A 80 1.921 0.649 6.192 1.00 0.00 C ATOM 1249 CD2 LEU A 80 2.757 1.301 8.456 1.00 0.00 C ATOM 0 H LEU A 80 0.615 5.168 6.747 1.00 0.00 H new ATOM 0 HA LEU A 80 0.092 2.746 5.384 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.209 3.280 6.542 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.367 3.467 8.067 1.00 0.00 H new ATOM 0 HG LEU A 80 0.724 1.022 7.900 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.098 -0.396 6.448 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.070 0.717 5.515 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.806 1.058 5.705 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.925 0.246 8.674 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.666 1.735 8.041 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.493 1.824 9.375 1.00 0.00 H new ATOM 1261 N VAL A 81 -1.591 1.458 6.542 1.00 0.00 N ATOM 1262 CA VAL A 81 -2.578 0.611 7.195 1.00 0.00 C ATOM 1263 C VAL A 81 -1.942 -0.732 7.580 1.00 0.00 C ATOM 1264 O VAL A 81 -1.971 -1.141 8.740 1.00 0.00 O ATOM 1265 CB VAL A 81 -3.804 0.374 6.270 1.00 0.00 C ATOM 1266 CG1 VAL A 81 -4.783 -0.623 6.874 1.00 0.00 C ATOM 1267 CG2 VAL A 81 -4.522 1.682 5.985 1.00 0.00 C ATOM 0 H VAL A 81 -1.316 1.137 5.614 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.923 1.117 8.097 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.425 -0.042 5.337 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.626 -0.761 6.197 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.281 -1.578 7.028 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.144 -0.245 7.830 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.377 1.494 5.336 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.867 2.119 6.922 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.838 2.373 5.493 1.00 0.00 H new ATOM 1277 N GLY A 82 -1.354 -1.400 6.590 1.00 0.00 N ATOM 1278 CA GLY A 82 -0.700 -2.687 6.815 1.00 0.00 C ATOM 1279 C GLY A 82 -0.860 -3.596 5.614 1.00 0.00 C ATOM 1280 O GLY A 82 -1.894 -3.551 4.965 1.00 0.00 O ATOM 0 H GLY A 82 -1.317 -1.072 5.625 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.359 -2.530 7.018 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.126 -3.166 7.697 1.00 0.00 H new ATOM 1284 N GLY A 83 0.219 -4.246 5.193 1.00 0.00 N ATOM 1285 CA GLY A 83 0.192 -4.937 3.911 1.00 0.00 C ATOM 1286 C GLY A 83 -0.376 -6.351 3.921 1.00 0.00 C ATOM 1287 O GLY A 83 -1.279 -6.651 3.152 1.00 0.00 O ATOM 0 H GLY A 83 1.100 -4.309 5.704 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.391 -4.338 3.211 1.00 0.00 H new ATOM 0 HA3 GLY A 83 1.210 -4.979 3.523 1.00 0.00 H new ATOM 1291 N CYS A 84 0.255 -7.265 4.645 1.00 0.00 N ATOM 1292 CA CYS A 84 -0.125 -8.674 4.532 1.00 0.00 C ATOM 1293 C CYS A 84 -1.395 -9.015 5.314 1.00 0.00 C ATOM 1294 O CYS A 84 -2.421 -9.361 4.727 1.00 0.00 O ATOM 1295 CB CYS A 84 1.037 -9.569 4.967 1.00 0.00 C ATOM 1296 SG CYS A 84 1.745 -9.130 6.571 1.00 0.00 S ATOM 0 H CYS A 84 1.012 -7.069 5.300 1.00 0.00 H new ATOM 0 HA CYS A 84 -0.352 -8.860 3.482 1.00 0.00 H new ATOM 0 HB2 CYS A 84 0.692 -10.602 5.005 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.821 -9.522 4.211 1.00 0.00 H new ATOM 0 HG CYS A 84 1.086 -9.732 7.516 1.00 0.00 H new ATOM 1302 N ASP A 85 -1.302 -8.960 6.634 1.00 0.00 N ATOM 1303 CA ASP A 85 -2.420 -9.319 7.504 1.00 0.00 C ATOM 1304 C ASP A 85 -3.495 -8.257 7.471 1.00 0.00 C ATOM 1305 O ASP A 85 -4.688 -8.561 7.481 1.00 0.00 O ATOM 1306 CB ASP A 85 -1.939 -9.494 8.948 1.00 0.00 C ATOM 1307 CG ASP A 85 -0.971 -10.644 9.115 1.00 0.00 C ATOM 1308 OD1 ASP A 85 -1.368 -11.801 8.876 1.00 0.00 O ATOM 1309 OD2 ASP A 85 0.197 -10.397 9.483 1.00 0.00 O ATOM 0 H ASP A 85 -0.461 -8.669 7.132 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.834 -10.258 7.138 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -1.460 -8.573 9.279 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -2.801 -9.656 9.595 1.00 0.00 H new ATOM 1314 N ILE A 86 -3.057 -7.020 7.613 1.00 0.00 N ATOM 1315 CA ILE A 86 -3.965 -5.909 7.799 1.00 0.00 C ATOM 1316 C ILE A 86 -4.927 -5.761 6.622 1.00 0.00 C ATOM 1317 O ILE A 86 -6.129 -5.643 6.829 1.00 0.00 O ATOM 1318 CB ILE A 86 -3.193 -4.601 8.023 1.00 0.00 C ATOM 1319 CG1 ILE A 86 -2.205 -4.751 9.186 1.00 0.00 C ATOM 1320 CG2 ILE A 86 -4.164 -3.472 8.312 1.00 0.00 C ATOM 1321 CD1 ILE A 86 -2.859 -5.074 10.514 1.00 0.00 C ATOM 0 H ILE A 86 -2.071 -6.761 7.603 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.557 -6.123 8.689 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.631 -4.369 7.118 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.491 -5.538 8.943 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.637 -3.826 9.288 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.610 -2.547 8.470 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.841 -3.349 7.467 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.740 -3.707 9.207 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.093 -5.164 11.284 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.552 -4.276 10.782 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.403 -6.015 10.432 1.00 0.00 H new ATOM 1333 N VAL A 87 -4.409 -5.815 5.395 1.00 0.00 N ATOM 1334 CA VAL A 87 -5.263 -5.731 4.209 1.00 0.00 C ATOM 1335 C VAL A 87 -6.341 -6.805 4.225 1.00 0.00 C ATOM 1336 O VAL A 87 -7.514 -6.501 4.042 1.00 0.00 O ATOM 1337 CB VAL A 87 -4.458 -5.852 2.892 1.00 0.00 C ATOM 1338 CG1 VAL A 87 -5.386 -5.926 1.689 1.00 0.00 C ATOM 1339 CG2 VAL A 87 -3.519 -4.676 2.735 1.00 0.00 C ATOM 0 H VAL A 87 -3.414 -5.915 5.196 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.726 -4.745 4.244 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.877 -6.773 2.942 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.794 -6.010 0.778 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.034 -6.797 1.783 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.995 -5.023 1.644 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -2.961 -4.778 1.804 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.095 -3.751 2.714 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.823 -4.651 3.574 1.00 0.00 H new ATOM 1349 N ILE A 88 -5.947 -8.053 4.449 1.00 0.00 N ATOM 1350 CA ILE A 88 -6.908 -9.147 4.479 1.00 0.00 C ATOM 1351 C ILE A 88 -7.926 -8.968 5.593 1.00 0.00 C ATOM 1352 O ILE A 88 -9.127 -9.093 5.361 1.00 0.00 O ATOM 1353 CB ILE A 88 -6.222 -10.521 4.633 1.00 0.00 C ATOM 1354 CG1 ILE A 88 -5.383 -10.834 3.393 1.00 0.00 C ATOM 1355 CG2 ILE A 88 -7.261 -11.614 4.866 1.00 0.00 C ATOM 1356 CD1 ILE A 88 -6.202 -10.937 2.122 1.00 0.00 C ATOM 0 H ILE A 88 -4.979 -8.330 4.611 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.422 -9.122 3.518 1.00 0.00 H new ATOM 0 HB ILE A 88 -5.562 -10.486 5.500 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.629 -10.057 3.268 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -4.851 -11.772 3.551 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -6.760 -12.576 4.972 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -7.822 -11.395 5.774 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -7.945 -11.653 4.018 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.544 -11.161 1.282 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.939 -11.733 2.228 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.713 -9.991 1.941 1.00 0.00 H new ATOM 1368 N GLU A 89 -7.454 -8.719 6.806 1.00 0.00 N ATOM 1369 CA GLU A 89 -8.364 -8.591 7.932 1.00 0.00 C ATOM 1370 C GLU A 89 -9.292 -7.398 7.733 1.00 0.00 C ATOM 1371 O GLU A 89 -10.505 -7.547 7.798 1.00 0.00 O ATOM 1372 CB GLU A 89 -7.601 -8.464 9.253 1.00 0.00 C ATOM 1373 CG GLU A 89 -8.513 -8.460 10.472 1.00 0.00 C ATOM 1374 CD GLU A 89 -7.755 -8.358 11.781 1.00 0.00 C ATOM 1375 OE1 GLU A 89 -6.512 -8.246 11.753 1.00 0.00 O ATOM 1376 OE2 GLU A 89 -8.404 -8.392 12.850 1.00 0.00 O ATOM 0 H GLU A 89 -6.466 -8.604 7.032 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.966 -9.498 7.981 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.894 -9.290 9.338 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.017 -7.544 9.241 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.208 -7.624 10.395 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.110 -9.372 10.475 1.00 0.00 H new ATOM 1383 N MET A 90 -8.723 -6.234 7.419 1.00 0.00 N ATOM 1384 CA MET A 90 -9.517 -5.032 7.143 1.00 0.00 C ATOM 1385 C MET A 90 -10.498 -5.268 5.999 1.00 0.00 C ATOM 1386 O MET A 90 -11.656 -4.864 6.083 1.00 0.00 O ATOM 1387 CB MET A 90 -8.612 -3.826 6.854 1.00 0.00 C ATOM 1388 CG MET A 90 -7.794 -3.388 8.058 1.00 0.00 C ATOM 1389 SD MET A 90 -8.827 -2.949 9.469 1.00 0.00 S ATOM 1390 CE MET A 90 -7.581 -2.487 10.671 1.00 0.00 C ATOM 0 H MET A 90 -7.715 -6.096 7.349 1.00 0.00 H new ATOM 0 HA MET A 90 -10.098 -4.807 8.037 1.00 0.00 H new ATOM 0 HB2 MET A 90 -7.937 -4.075 6.035 1.00 0.00 H new ATOM 0 HB3 MET A 90 -9.227 -2.991 6.518 1.00 0.00 H new ATOM 0 HG2 MET A 90 -7.115 -4.191 8.344 1.00 0.00 H new ATOM 0 HG3 MET A 90 -7.177 -2.533 7.783 1.00 0.00 H new ATOM 0 HE1 MET A 90 -8.065 -2.189 11.601 1.00 0.00 H new ATOM 0 HE2 MET A 90 -6.924 -3.336 10.859 1.00 0.00 H new ATOM 0 HE3 MET A 90 -6.994 -1.654 10.285 1.00 0.00 H new ATOM 1400 N TYR A 91 -10.062 -6.015 4.993 1.00 0.00 N ATOM 1401 CA TYR A 91 -10.931 -6.433 3.895 1.00 0.00 C ATOM 1402 C TYR A 91 -12.126 -7.219 4.410 1.00 0.00 C ATOM 1403 O TYR A 91 -13.271 -6.903 4.083 1.00 0.00 O ATOM 1404 CB TYR A 91 -10.106 -7.284 2.928 1.00 0.00 C ATOM 1405 CG TYR A 91 -10.875 -8.251 2.054 1.00 0.00 C ATOM 1406 CD1 TYR A 91 -11.777 -7.838 1.079 1.00 0.00 C ATOM 1407 CD2 TYR A 91 -10.669 -9.610 2.220 1.00 0.00 C ATOM 1408 CE1 TYR A 91 -12.443 -8.766 0.297 1.00 0.00 C ATOM 1409 CE2 TYR A 91 -11.325 -10.536 1.453 1.00 0.00 C ATOM 1410 CZ TYR A 91 -12.211 -10.114 0.489 1.00 0.00 C ATOM 1411 OH TYR A 91 -12.867 -11.045 -0.284 1.00 0.00 O ATOM 0 H TYR A 91 -9.101 -6.348 4.913 1.00 0.00 H new ATOM 0 HA TYR A 91 -11.320 -5.553 3.383 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -9.542 -6.613 2.280 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -9.380 -7.853 3.509 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.959 -6.784 0.931 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -9.973 -9.949 2.973 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -13.140 -8.438 -0.459 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -11.148 -11.591 1.604 1.00 0.00 H new ATOM 0 HH TYR A 91 -12.587 -11.946 -0.019 1.00 0.00 H new ATOM 1421 N GLN A 92 -11.852 -8.232 5.215 1.00 0.00 N ATOM 1422 CA GLN A 92 -12.901 -9.065 5.775 1.00 0.00 C ATOM 1423 C GLN A 92 -13.803 -8.248 6.696 1.00 0.00 C ATOM 1424 O GLN A 92 -15.024 -8.400 6.682 1.00 0.00 O ATOM 1425 CB GLN A 92 -12.302 -10.257 6.519 1.00 0.00 C ATOM 1426 CG GLN A 92 -11.442 -11.146 5.630 1.00 0.00 C ATOM 1427 CD GLN A 92 -10.880 -12.347 6.357 1.00 0.00 C ATOM 1428 OE1 GLN A 92 -10.158 -12.211 7.344 1.00 0.00 O ATOM 1429 NE2 GLN A 92 -11.199 -13.531 5.864 1.00 0.00 N ATOM 0 H GLN A 92 -10.908 -8.497 5.496 1.00 0.00 H new ATOM 0 HA GLN A 92 -13.510 -9.447 4.956 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -11.699 -9.893 7.350 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.108 -10.853 6.947 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -12.037 -11.487 4.783 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.620 -10.557 5.224 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -11.801 -13.596 5.043 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -10.843 -14.379 6.304 1.00 0.00 H new ATOM 1438 N ARG A 93 -13.185 -7.358 7.472 1.00 0.00 N ATOM 1439 CA ARG A 93 -13.912 -6.471 8.378 1.00 0.00 C ATOM 1440 C ARG A 93 -14.823 -5.525 7.597 1.00 0.00 C ATOM 1441 O ARG A 93 -15.816 -5.026 8.128 1.00 0.00 O ATOM 1442 CB ARG A 93 -12.938 -5.624 9.206 1.00 0.00 C ATOM 1443 CG ARG A 93 -11.911 -6.418 9.991 1.00 0.00 C ATOM 1444 CD ARG A 93 -12.553 -7.383 10.970 1.00 0.00 C ATOM 1445 NE ARG A 93 -13.372 -6.698 11.966 1.00 0.00 N ATOM 1446 CZ ARG A 93 -13.994 -7.318 12.963 1.00 0.00 C ATOM 1447 NH1 ARG A 93 -13.885 -8.635 13.103 1.00 0.00 N ATOM 1448 NH2 ARG A 93 -14.721 -6.616 13.820 1.00 0.00 N ATOM 0 H ARG A 93 -12.173 -7.232 7.490 1.00 0.00 H new ATOM 0 HA ARG A 93 -14.510 -7.100 9.037 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -12.414 -4.941 8.537 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -13.512 -5.012 9.902 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -11.278 -6.974 9.299 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -11.262 -5.731 10.534 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -13.170 -8.095 10.423 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -11.775 -7.957 11.474 1.00 0.00 H new ATOM 0 HE ARG A 93 -13.472 -5.686 11.892 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -13.322 -9.173 12.444 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -14.364 -9.108 13.870 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -14.801 -5.605 13.712 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -15.201 -7.087 14.587 1.00 0.00 H new ATOM 1462 N GLY A 94 -14.366 -5.135 6.412 1.00 0.00 N ATOM 1463 CA GLY A 94 -15.030 -4.083 5.669 1.00 0.00 C ATOM 1464 C GLY A 94 -14.318 -2.755 5.837 1.00 0.00 C ATOM 1465 O GLY A 94 -14.435 -1.868 4.999 1.00 0.00 O ATOM 0 H GLY A 94 -13.546 -5.530 5.953 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -15.065 -4.348 4.612 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -16.062 -3.990 6.009 1.00 0.00 H new ATOM 1469 N GLU A 95 -13.588 -2.625 6.935 1.00 0.00 N ATOM 1470 CA GLU A 95 -12.852 -1.402 7.263 1.00 0.00 C ATOM 1471 C GLU A 95 -11.948 -0.925 6.120 1.00 0.00 C ATOM 1472 O GLU A 95 -11.747 0.274 5.943 1.00 0.00 O ATOM 1473 CB GLU A 95 -12.009 -1.639 8.508 1.00 0.00 C ATOM 1474 CG GLU A 95 -12.830 -1.985 9.737 1.00 0.00 C ATOM 1475 CD GLU A 95 -13.708 -0.843 10.210 1.00 0.00 C ATOM 1476 OE1 GLU A 95 -14.549 -0.357 9.428 1.00 0.00 O ATOM 1477 OE2 GLU A 95 -13.567 -0.435 11.378 1.00 0.00 O ATOM 0 H GLU A 95 -13.486 -3.365 7.630 1.00 0.00 H new ATOM 0 HA GLU A 95 -13.590 -0.619 7.437 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.304 -2.447 8.312 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -11.420 -0.745 8.714 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -13.457 -2.849 9.516 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -12.158 -2.277 10.544 1.00 0.00 H new ATOM 1484 N LEU A 96 -11.357 -1.868 5.399 1.00 0.00 N ATOM 1485 CA LEU A 96 -10.408 -1.541 4.333 1.00 0.00 C ATOM 1486 C LEU A 96 -11.101 -0.789 3.210 1.00 0.00 C ATOM 1487 O LEU A 96 -10.745 0.339 2.902 1.00 0.00 O ATOM 1488 CB LEU A 96 -9.755 -2.808 3.776 1.00 0.00 C ATOM 1489 CG LEU A 96 -8.683 -2.564 2.713 1.00 0.00 C ATOM 1490 CD1 LEU A 96 -7.528 -1.754 3.283 1.00 0.00 C ATOM 1491 CD2 LEU A 96 -8.181 -3.880 2.146 1.00 0.00 C ATOM 0 H LEU A 96 -11.515 -2.867 5.530 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.633 -0.905 4.762 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -9.308 -3.362 4.601 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -10.532 -3.442 3.349 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.135 -1.990 1.904 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.779 -1.594 2.508 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -7.898 -0.791 3.635 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -7.079 -2.296 4.115 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -7.419 -3.684 1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.752 -4.481 2.947 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.011 -4.421 1.691 1.00 0.00 H new ATOM 1503 N GLN A 97 -12.157 -1.374 2.678 1.00 0.00 N ATOM 1504 CA GLN A 97 -12.968 -0.704 1.670 1.00 0.00 C ATOM 1505 C GLN A 97 -13.584 0.576 2.214 1.00 0.00 C ATOM 1506 O GLN A 97 -13.823 1.512 1.468 1.00 0.00 O ATOM 1507 CB GLN A 97 -14.037 -1.639 1.110 1.00 0.00 C ATOM 1508 CG GLN A 97 -14.816 -2.403 2.163 1.00 0.00 C ATOM 1509 CD GLN A 97 -15.742 -3.437 1.563 1.00 0.00 C ATOM 1510 OE1 GLN A 97 -16.651 -3.111 0.803 1.00 0.00 O ATOM 1511 NE2 GLN A 97 -15.503 -4.696 1.894 1.00 0.00 N ATOM 0 H GLN A 97 -12.476 -2.311 2.924 1.00 0.00 H new ATOM 0 HA GLN A 97 -12.308 -0.426 0.848 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -14.736 -1.055 0.511 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -13.561 -2.353 0.438 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -14.118 -2.895 2.841 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -15.399 -1.701 2.760 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -14.737 -4.920 2.529 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -16.085 -5.443 1.514 1.00 0.00 H new ATOM 1520 N GLN A 98 -13.783 0.633 3.519 1.00 0.00 N ATOM 1521 CA GLN A 98 -14.309 1.828 4.161 1.00 0.00 C ATOM 1522 C GLN A 98 -13.322 2.985 4.076 1.00 0.00 C ATOM 1523 O GLN A 98 -13.652 4.056 3.561 1.00 0.00 O ATOM 1524 CB GLN A 98 -14.657 1.533 5.620 1.00 0.00 C ATOM 1525 CG GLN A 98 -15.905 0.681 5.799 1.00 0.00 C ATOM 1526 CD GLN A 98 -17.159 1.346 5.252 1.00 0.00 C ATOM 1527 OE1 GLN A 98 -17.257 1.645 4.062 1.00 0.00 O ATOM 1528 NE2 GLN A 98 -18.129 1.586 6.118 1.00 0.00 N ATOM 0 H GLN A 98 -13.588 -0.137 4.159 1.00 0.00 H new ATOM 0 HA GLN A 98 -15.215 2.123 3.631 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -13.813 1.026 6.089 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -14.795 2.477 6.148 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -15.760 -0.277 5.299 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -16.045 0.469 6.859 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -18.014 1.325 7.097 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -18.992 2.032 5.807 1.00 0.00 H new ATOM 1537 N LEU A 99 -12.101 2.757 4.539 1.00 0.00 N ATOM 1538 CA LEU A 99 -11.067 3.777 4.473 1.00 0.00 C ATOM 1539 C LEU A 99 -10.605 4.018 3.032 1.00 0.00 C ATOM 1540 O LEU A 99 -10.376 5.164 2.639 1.00 0.00 O ATOM 1541 CB LEU A 99 -9.914 3.463 5.447 1.00 0.00 C ATOM 1542 CG LEU A 99 -9.322 2.051 5.395 1.00 0.00 C ATOM 1543 CD1 LEU A 99 -8.474 1.841 4.157 1.00 0.00 C ATOM 1544 CD2 LEU A 99 -8.512 1.765 6.649 1.00 0.00 C ATOM 0 H LEU A 99 -11.804 1.878 4.963 1.00 0.00 H new ATOM 0 HA LEU A 99 -11.495 4.723 4.806 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -9.110 4.174 5.260 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -10.269 3.644 6.461 1.00 0.00 H new ATOM 0 HG LEU A 99 -10.155 1.349 5.346 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -8.073 0.827 4.158 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -9.086 1.988 3.267 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -7.652 2.557 4.154 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -8.100 0.758 6.594 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -7.699 2.486 6.729 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -9.156 1.846 7.525 1.00 0.00 H new ATOM 1556 N ILE A 100 -10.567 2.958 2.221 1.00 0.00 N ATOM 1557 CA ILE A 100 -10.247 3.100 0.801 1.00 0.00 C ATOM 1558 C ILE A 100 -11.301 3.950 0.098 1.00 0.00 C ATOM 1559 O ILE A 100 -10.960 4.858 -0.640 1.00 0.00 O ATOM 1560 CB ILE A 100 -10.141 1.735 0.068 1.00 0.00 C ATOM 1561 CG1 ILE A 100 -8.961 0.906 0.594 1.00 0.00 C ATOM 1562 CG2 ILE A 100 -10.009 1.943 -1.439 1.00 0.00 C ATOM 1563 CD1 ILE A 100 -7.602 1.528 0.338 1.00 0.00 C ATOM 0 H ILE A 100 -10.752 2.001 2.521 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.272 3.585 0.757 1.00 0.00 H new ATOM 0 HB ILE A 100 -11.058 1.181 0.269 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.085 0.759 1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.990 -0.081 0.131 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -9.936 0.975 -1.935 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -10.884 2.476 -1.811 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -9.113 2.527 -1.649 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.824 0.880 0.740 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.454 1.650 -0.735 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.550 2.502 0.824 1.00 0.00 H new ATOM 1575 N LYS A 101 -12.576 3.632 0.321 1.00 0.00 N ATOM 1576 CA LYS A 101 -13.680 4.341 -0.320 1.00 0.00 C ATOM 1577 C LYS A 101 -13.617 5.834 -0.058 1.00 0.00 C ATOM 1578 O LYS A 101 -13.674 6.639 -0.982 1.00 0.00 O ATOM 1579 CB LYS A 101 -15.009 3.814 0.206 1.00 0.00 C ATOM 1580 CG LYS A 101 -16.203 4.553 -0.349 1.00 0.00 C ATOM 1581 CD LYS A 101 -17.504 4.074 0.270 1.00 0.00 C ATOM 1582 CE LYS A 101 -17.550 4.359 1.766 1.00 0.00 C ATOM 1583 NZ LYS A 101 -17.485 5.818 2.064 1.00 0.00 N ATOM 0 H LYS A 101 -12.870 2.882 0.946 1.00 0.00 H new ATOM 0 HA LYS A 101 -13.596 4.170 -1.393 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -15.097 2.756 -0.042 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -15.017 3.888 1.293 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -16.086 5.621 -0.166 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -16.244 4.417 -1.430 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -18.344 4.565 -0.221 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -17.617 3.003 0.099 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -18.467 3.945 2.185 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -16.719 3.852 2.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -17.738 5.981 3.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -16.520 6.165 1.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -18.152 6.328 1.450 1.00 0.00 H new ATOM 1597 N GLU A 102 -13.510 6.189 1.210 1.00 0.00 N ATOM 1598 CA GLU A 102 -13.449 7.581 1.615 1.00 0.00 C ATOM 1599 C GLU A 102 -12.280 8.275 0.920 1.00 0.00 C ATOM 1600 O GLU A 102 -12.418 9.375 0.390 1.00 0.00 O ATOM 1601 CB GLU A 102 -13.287 7.669 3.129 1.00 0.00 C ATOM 1602 CG GLU A 102 -13.334 9.087 3.667 1.00 0.00 C ATOM 1603 CD GLU A 102 -14.683 9.760 3.483 1.00 0.00 C ATOM 1604 OE1 GLU A 102 -15.635 9.106 3.002 1.00 0.00 O ATOM 1605 OE2 GLU A 102 -14.810 10.945 3.848 1.00 0.00 O ATOM 0 H GLU A 102 -13.463 5.525 1.983 1.00 0.00 H new ATOM 0 HA GLU A 102 -14.374 8.080 1.327 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -14.074 7.083 3.604 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -12.337 7.214 3.411 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -13.086 9.073 4.728 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -12.569 9.682 3.168 1.00 0.00 H new ATOM 1612 N THR A 103 -11.139 7.601 0.921 1.00 0.00 N ATOM 1613 CA THR A 103 -9.928 8.108 0.299 1.00 0.00 C ATOM 1614 C THR A 103 -10.039 8.175 -1.223 1.00 0.00 C ATOM 1615 O THR A 103 -9.709 9.191 -1.837 1.00 0.00 O ATOM 1616 CB THR A 103 -8.740 7.228 0.694 1.00 0.00 C ATOM 1617 OG1 THR A 103 -8.627 7.201 2.121 1.00 0.00 O ATOM 1618 CG2 THR A 103 -7.458 7.747 0.092 1.00 0.00 C ATOM 0 H THR A 103 -11.028 6.685 1.355 1.00 0.00 H new ATOM 0 HA THR A 103 -9.778 9.126 0.658 1.00 0.00 H new ATOM 0 HB THR A 103 -8.911 6.221 0.314 1.00 0.00 H new ATOM 0 HG1 THR A 103 -9.187 6.481 2.480 1.00 0.00 H new ATOM 0 HG21 THR A 103 -6.630 7.103 0.389 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.542 7.752 -0.995 1.00 0.00 H new ATOM 0 HG23 THR A 103 -7.274 8.761 0.446 1.00 0.00 H new ATOM 1626 N ALA A 104 -10.505 7.102 -1.826 1.00 0.00 N ATOM 1627 CA ALA A 104 -10.658 7.043 -3.264 1.00 0.00 C ATOM 1628 C ALA A 104 -11.630 8.114 -3.729 1.00 0.00 C ATOM 1629 O ALA A 104 -11.390 8.798 -4.712 1.00 0.00 O ATOM 1630 CB ALA A 104 -11.146 5.669 -3.685 1.00 0.00 C ATOM 0 H ALA A 104 -10.787 6.252 -1.338 1.00 0.00 H new ATOM 0 HA ALA A 104 -9.689 7.224 -3.729 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -11.257 5.639 -4.769 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.424 4.915 -3.373 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -12.109 5.465 -3.216 1.00 0.00 H new ATOM 1636 N ALA A 105 -12.725 8.263 -2.996 1.00 0.00 N ATOM 1637 CA ALA A 105 -13.739 9.255 -3.315 1.00 0.00 C ATOM 1638 C ALA A 105 -13.179 10.675 -3.241 1.00 0.00 C ATOM 1639 O ALA A 105 -13.490 11.516 -4.079 1.00 0.00 O ATOM 1640 CB ALA A 105 -14.936 9.111 -2.388 1.00 0.00 C ATOM 0 H ALA A 105 -12.933 7.703 -2.169 1.00 0.00 H new ATOM 0 HA ALA A 105 -14.063 9.077 -4.341 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -15.685 9.862 -2.641 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -15.367 8.116 -2.502 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -14.616 9.252 -1.356 1.00 0.00 H new ATOM 1646 N LYS A 106 -12.383 10.955 -2.214 1.00 0.00 N ATOM 1647 CA LYS A 106 -11.831 12.292 -2.036 1.00 0.00 C ATOM 1648 C LYS A 106 -10.745 12.596 -3.069 1.00 0.00 C ATOM 1649 O LYS A 106 -10.674 13.715 -3.576 1.00 0.00 O ATOM 1650 CB LYS A 106 -11.384 12.531 -0.574 1.00 0.00 C ATOM 1651 CG LYS A 106 -10.402 11.518 -0.005 1.00 0.00 C ATOM 1652 CD LYS A 106 -8.950 11.894 -0.234 1.00 0.00 C ATOM 1653 CE LYS A 106 -8.561 13.126 0.576 1.00 0.00 C ATOM 1654 NZ LYS A 106 -7.100 13.401 0.524 1.00 0.00 N ATOM 0 H LYS A 106 -12.108 10.281 -1.499 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.625 13.014 -2.225 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -10.933 13.521 -0.510 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -12.271 12.543 0.059 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.578 11.414 1.066 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.593 10.544 -0.456 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -8.308 11.057 0.042 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -8.785 12.086 -1.294 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -9.105 13.992 0.199 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -8.865 12.986 1.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.903 14.318 0.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -6.587 12.650 1.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -6.787 13.427 -0.467 1.00 0.00 H new ATOM 1668 N TYR A 107 -9.975 11.588 -3.477 1.00 0.00 N ATOM 1669 CA TYR A 107 -9.012 11.794 -4.558 1.00 0.00 C ATOM 1670 C TYR A 107 -9.661 11.760 -5.944 1.00 0.00 C ATOM 1671 O TYR A 107 -9.363 12.604 -6.790 1.00 0.00 O ATOM 1672 CB TYR A 107 -7.876 10.771 -4.530 1.00 0.00 C ATOM 1673 CG TYR A 107 -6.885 10.942 -3.408 1.00 0.00 C ATOM 1674 CD1 TYR A 107 -5.830 11.833 -3.541 1.00 0.00 C ATOM 1675 CD2 TYR A 107 -6.963 10.186 -2.246 1.00 0.00 C ATOM 1676 CE1 TYR A 107 -4.889 11.976 -2.545 1.00 0.00 C ATOM 1677 CE2 TYR A 107 -6.030 10.325 -1.249 1.00 0.00 C ATOM 1678 CZ TYR A 107 -4.994 11.223 -1.402 1.00 0.00 C ATOM 1679 OH TYR A 107 -4.063 11.367 -0.403 1.00 0.00 O ATOM 0 H TYR A 107 -9.996 10.645 -3.088 1.00 0.00 H new ATOM 0 HA TYR A 107 -8.606 12.790 -4.381 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -8.309 9.773 -4.462 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -7.340 10.822 -5.478 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -5.745 12.425 -4.441 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -7.770 9.478 -2.125 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -4.075 12.675 -2.663 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -6.107 9.734 -0.348 1.00 0.00 H new ATOM 0 HH TYR A 107 -4.517 11.579 0.439 1.00 0.00 H new ATOM 1689 N LYS A 108 -10.508 10.766 -6.194 1.00 0.00 N ATOM 1690 CA LYS A 108 -11.145 10.613 -7.500 1.00 0.00 C ATOM 1691 C LYS A 108 -12.453 11.382 -7.538 1.00 0.00 C ATOM 1692 O LYS A 108 -12.665 12.311 -6.759 1.00 0.00 O ATOM 1693 CB LYS A 108 -11.389 9.129 -7.843 1.00 0.00 C ATOM 1694 CG LYS A 108 -10.137 8.337 -8.094 1.00 0.00 C ATOM 1695 CD LYS A 108 -9.332 8.172 -6.840 1.00 0.00 C ATOM 1696 CE LYS A 108 -7.989 7.635 -7.172 1.00 0.00 C ATOM 1697 NZ LYS A 108 -8.051 6.277 -7.766 1.00 0.00 N ATOM 0 H LYS A 108 -10.770 10.055 -5.511 1.00 0.00 H new ATOM 0 HA LYS A 108 -10.467 11.020 -8.250 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -11.940 8.665 -7.025 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -12.024 9.072 -8.727 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -10.399 7.356 -8.491 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -9.534 8.837 -8.852 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -9.235 9.131 -6.331 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -9.844 7.497 -6.154 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -7.493 8.311 -7.869 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -7.380 7.605 -6.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -7.256 5.707 -7.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -8.948 5.823 -7.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -7.992 6.348 -8.802 1.00 0.00 H new ATOM 1711 N SER A 109 -13.381 10.882 -8.323 1.00 0.00 N ATOM 1712 CA SER A 109 -14.736 11.387 -8.318 1.00 0.00 C ATOM 1713 C SER A 109 -15.515 10.736 -7.173 1.00 0.00 C ATOM 1714 O SER A 109 -14.955 10.383 -6.137 1.00 0.00 O ATOM 1715 CB SER A 109 -15.392 11.099 -9.675 1.00 0.00 C ATOM 1716 OG SER A 109 -16.678 11.693 -9.771 1.00 0.00 O ATOM 0 H SER A 109 -13.219 10.118 -8.979 1.00 0.00 H new ATOM 0 HA SER A 109 -14.737 12.466 -8.162 1.00 0.00 H new ATOM 0 HB2 SER A 109 -14.755 11.477 -10.475 1.00 0.00 H new ATOM 0 HB3 SER A 109 -15.477 10.022 -9.817 1.00 0.00 H new ATOM 0 HG SER A 109 -17.316 11.038 -10.124 1.00 0.00 H new ATOM 1722 N GLU A 110 -16.795 10.558 -7.388 1.00 0.00 N ATOM 1723 CA GLU A 110 -17.684 9.930 -6.419 1.00 0.00 C ATOM 1724 C GLU A 110 -17.487 8.409 -6.364 1.00 0.00 C ATOM 1725 O GLU A 110 -18.440 7.658 -6.573 1.00 0.00 O ATOM 1726 CB GLU A 110 -19.132 10.248 -6.785 1.00 0.00 C ATOM 1727 CG GLU A 110 -19.423 11.737 -6.872 1.00 0.00 C ATOM 1728 CD GLU A 110 -20.840 12.033 -7.312 1.00 0.00 C ATOM 1729 OE1 GLU A 110 -21.617 11.082 -7.526 1.00 0.00 O ATOM 1730 OE2 GLU A 110 -21.185 13.225 -7.450 1.00 0.00 O ATOM 0 H GLU A 110 -17.262 10.845 -8.248 1.00 0.00 H new ATOM 0 HA GLU A 110 -17.446 10.329 -5.433 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -19.367 9.784 -7.743 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -19.793 9.800 -6.043 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -19.247 12.194 -5.898 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -18.726 12.198 -7.572 1.00 0.00 H new ATOM 1737 N GLU A 111 -16.256 7.952 -6.144 1.00 0.00 N ATOM 1738 CA GLU A 111 -15.977 6.514 -6.124 1.00 0.00 C ATOM 1739 C GLU A 111 -16.675 5.853 -4.938 1.00 0.00 C ATOM 1740 O GLU A 111 -16.450 6.217 -3.780 1.00 0.00 O ATOM 1741 CB GLU A 111 -14.467 6.251 -6.069 1.00 0.00 C ATOM 1742 CG GLU A 111 -13.693 6.878 -7.217 1.00 0.00 C ATOM 1743 CD GLU A 111 -14.113 6.371 -8.587 1.00 0.00 C ATOM 1744 OE1 GLU A 111 -15.047 5.541 -8.673 1.00 0.00 O ATOM 1745 OE2 GLU A 111 -13.518 6.818 -9.593 1.00 0.00 O ATOM 0 H GLU A 111 -15.444 8.546 -5.979 1.00 0.00 H new ATOM 0 HA GLU A 111 -16.365 6.079 -7.045 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -14.075 6.634 -5.127 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -14.295 5.175 -6.072 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -13.824 7.960 -7.184 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -12.630 6.681 -7.077 1.00 0.00 H new ATOM 1752 N PRO A 112 -17.601 4.926 -5.225 1.00 0.00 N ATOM 1753 CA PRO A 112 -18.411 4.267 -4.224 1.00 0.00 C ATOM 1754 C PRO A 112 -17.900 2.875 -3.856 1.00 0.00 C ATOM 1755 O PRO A 112 -18.611 1.882 -4.030 1.00 0.00 O ATOM 1756 CB PRO A 112 -19.747 4.151 -4.927 1.00 0.00 C ATOM 1757 CG PRO A 112 -19.433 4.059 -6.389 1.00 0.00 C ATOM 1758 CD PRO A 112 -18.001 4.505 -6.569 1.00 0.00 C ATOM 0 HA PRO A 112 -18.423 4.815 -3.282 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -20.292 3.270 -4.588 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -20.376 5.016 -4.716 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -19.566 3.038 -6.747 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -20.108 4.690 -6.968 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -17.372 3.695 -6.939 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -17.923 5.323 -7.285 1.00 0.00 H new ATOM 1766 N ASP A 113 -16.621 2.802 -3.564 1.00 0.00 N ATOM 1767 CA ASP A 113 -15.914 1.525 -3.417 1.00 0.00 C ATOM 1768 C ASP A 113 -16.617 0.548 -2.488 1.00 0.00 C ATOM 1769 O ASP A 113 -16.919 -0.578 -2.882 1.00 0.00 O ATOM 1770 CB ASP A 113 -14.505 1.765 -2.883 1.00 0.00 C ATOM 1771 CG ASP A 113 -13.647 2.576 -3.824 1.00 0.00 C ATOM 1772 OD1 ASP A 113 -14.148 2.987 -4.892 1.00 0.00 O ATOM 1773 OD2 ASP A 113 -12.471 2.800 -3.492 1.00 0.00 O ATOM 0 H ASP A 113 -16.030 3.621 -3.419 1.00 0.00 H new ATOM 0 HA ASP A 113 -15.890 1.080 -4.412 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -14.569 2.279 -1.924 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -14.024 0.804 -2.698 1.00 0.00 H new