USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 885 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 10 SER OG : rot 180:sc= 0.396 USER MOD Set 1.2: B 98 LYS NZ :NH3+ 155:sc= 1.67 (180deg=0.204) USER MOD Set 2.1: B 72 HIS : no HE2:sc= -1.49! C(o=-2.5!,f=-5.8!) USER MOD Set 2.2: B 116 ASN : amide:sc= -1.02 X(o=-2.5,f=-2.5!) USER MOD Set 3.1: B 54 TYR OH : rot -120:sc= -1.21 USER MOD Set 3.2: B 61 GLN : amide:sc= 0.459 K(o=-0.75,f=0.095) USER MOD Single : A 9 ASN : amide:sc= -0.975 K(o=-0.98,f=-0.092) USER MOD Single : A 11 GLN : amide:sc= -2.23! K(o=-2.2!,f=-0.11) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 74:sc= 1.19 USER MOD Single : A 31 GLN : amide:sc= -0.554 X(o=-0.55,f=-0.24) USER MOD Single : A 32 GLN : amide:sc= -0.978 K(o=-0.98,f=-0.12) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ 162:sc= 0.608 (180deg=0.471) USER MOD Single : B 44 THR OG1 : rot 180:sc= 0 USER MOD Single : B 46 LYS NZ :NH3+ 168:sc= -0.0136 (180deg=-0.192) USER MOD Single : B 47 THR OG1 : rot 114:sc= 1.25 USER MOD Single : B 48 LYS NZ :NH3+ 138:sc= 1.26 (180deg=1.09) USER MOD Single : B 55 GLN : amide:sc= -1.8! X(o=-1.8!,f=-2.3) USER MOD Single : B 56 ASN : amide:sc= -1.41! K(o=-1.4!,f=-0.0048) USER MOD Single : B 57 SER OG : rot 90:sc= -0.17 USER MOD Single : B 65 LYS NZ :NH3+ 166:sc= -0.0221 (180deg=-0.2) USER MOD Single : B 66 TYR OH : rot 180:sc= 0 USER MOD Single : B 67 ASN : amide:sc= 0.927 K(o=0.93,f=-2.3!) USER MOD Single : B 68 THR OG1 : rot 180:sc= 0 USER MOD Single : B 70 LYS NZ :NH3+ -129:sc= 0.487 (180deg=0.0619) USER MOD Single : B 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 77 TYR OH : rot 34:sc= 1.23 USER MOD Single : B 81 SER OG : rot 77:sc= 1.08 USER MOD Single : B 97 GLN : amide:sc= -3.97! K(o=-4!,f=-0.37) USER MOD Single : B 103 ASN : amide:sc= 1.03 K(o=1,f=-0.17) USER MOD Single : B 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 106 ASN : amide:sc= -3.02! C(o=-3!,f=-3.4!) USER MOD Single : B 107 THR OG1 : rot -52:sc= 1.15 USER MOD Single : B 110 TYR OH : rot 180:sc= 0 USER MOD Single : B 114 HIS : no HD1:sc= 0 X(o=0,f=-0.0073) USER MOD Single : B 115 TYR OH : rot 92:sc= 0.015 USER MOD Single : B 123 CYS SG : rot 67:sc= 1.28 USER MOD Single : B 124 GLN : amide:sc= 0.349 K(o=0.35,f=-1) USER MOD Single : B 129 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0536) USER MOD Single : B 131 ASN : amide:sc= 1.15 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 103 N GLU A 8 10.848 0.526 -6.643 1.00 0.00 N ATOM 104 CA GLU A 8 9.823 1.393 -6.075 1.00 0.00 C ATOM 105 C GLU A 8 8.750 0.562 -5.387 1.00 0.00 C ATOM 106 O GLU A 8 8.399 0.815 -4.243 1.00 0.00 O ATOM 107 CB GLU A 8 9.190 2.256 -7.172 1.00 0.00 C ATOM 108 CG GLU A 8 8.752 1.458 -8.393 1.00 0.00 C ATOM 109 CD GLU A 8 7.903 2.259 -9.352 1.00 0.00 C ATOM 110 OE1 GLU A 8 8.474 2.948 -10.224 1.00 0.00 O ATOM 111 OE2 GLU A 8 6.664 2.185 -9.250 1.00 0.00 O1- ATOM 0 HA GLU A 8 10.291 2.045 -5.338 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.327 2.778 -6.760 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.905 3.018 -7.483 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.635 1.093 -8.917 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.192 0.582 -8.065 1.00 0.00 H new ATOM 118 N ASN A 9 8.275 -0.454 -6.089 1.00 0.00 N ATOM 119 CA ASN A 9 7.223 -1.334 -5.597 1.00 0.00 C ATOM 120 C ASN A 9 7.614 -1.994 -4.281 1.00 0.00 C ATOM 121 O ASN A 9 6.795 -2.101 -3.374 1.00 0.00 O ATOM 122 CB ASN A 9 6.907 -2.398 -6.649 1.00 0.00 C ATOM 123 CG ASN A 9 8.157 -2.881 -7.352 1.00 0.00 C ATOM 124 OD1 ASN A 9 8.832 -3.800 -6.891 1.00 0.00 O ATOM 125 ND2 ASN A 9 8.473 -2.257 -8.475 1.00 0.00 N ATOM 0 H ASN A 9 8.609 -0.694 -7.022 1.00 0.00 H new ATOM 0 HA ASN A 9 6.335 -0.730 -5.411 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.408 -3.242 -6.174 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.212 -1.989 -7.383 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.306 -2.533 -8.995 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.884 -1.500 -8.821 1.00 0.00 H new ATOM 132 N SER A 10 8.869 -2.414 -4.167 1.00 0.00 N ATOM 133 CA SER A 10 9.342 -3.050 -2.947 1.00 0.00 C ATOM 134 C SER A 10 9.332 -2.051 -1.791 1.00 0.00 C ATOM 135 O SER A 10 9.009 -2.401 -0.656 1.00 0.00 O ATOM 136 CB SER A 10 10.745 -3.632 -3.142 1.00 0.00 C ATOM 137 OG SER A 10 11.140 -4.399 -2.014 1.00 0.00 O ATOM 0 H SER A 10 9.572 -2.326 -4.901 1.00 0.00 H new ATOM 0 HA SER A 10 8.667 -3.871 -2.705 1.00 0.00 H new ATOM 0 HB2 SER A 10 10.762 -4.257 -4.035 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.458 -2.824 -3.304 1.00 0.00 H new ATOM 0 HG SER A 10 12.038 -4.761 -2.163 1.00 0.00 H new ATOM 143 N GLN A 11 9.675 -0.804 -2.095 1.00 0.00 N ATOM 144 CA GLN A 11 9.663 0.262 -1.103 1.00 0.00 C ATOM 145 C GLN A 11 8.225 0.636 -0.752 1.00 0.00 C ATOM 146 O GLN A 11 7.907 0.922 0.401 1.00 0.00 O ATOM 147 CB GLN A 11 10.420 1.474 -1.631 1.00 0.00 C ATOM 148 CG GLN A 11 11.834 1.139 -2.078 1.00 0.00 C ATOM 149 CD GLN A 11 12.668 2.369 -2.334 1.00 0.00 C ATOM 150 OE1 GLN A 11 13.550 2.374 -3.191 1.00 0.00 O ATOM 151 NE2 GLN A 11 12.411 3.416 -1.572 1.00 0.00 N ATOM 0 H GLN A 11 9.966 -0.507 -3.026 1.00 0.00 H new ATOM 0 HA GLN A 11 10.159 -0.088 -0.198 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.871 1.902 -2.470 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.461 2.237 -0.854 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.317 0.529 -1.315 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.791 0.538 -2.986 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.670 3.368 -0.873 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.954 4.273 -1.682 1.00 0.00 H new ATOM 160 N LEU A 12 7.364 0.622 -1.765 1.00 0.00 N ATOM 161 CA LEU A 12 5.933 0.838 -1.585 1.00 0.00 C ATOM 162 C LEU A 12 5.368 -0.133 -0.557 1.00 0.00 C ATOM 163 O LEU A 12 4.598 0.254 0.319 1.00 0.00 O ATOM 164 CB LEU A 12 5.202 0.652 -2.918 1.00 0.00 C ATOM 165 CG LEU A 12 4.963 1.922 -3.745 1.00 0.00 C ATOM 166 CD1 LEU A 12 6.218 2.771 -3.848 1.00 0.00 C ATOM 167 CD2 LEU A 12 4.482 1.542 -5.132 1.00 0.00 C ATOM 0 H LEU A 12 7.639 0.461 -2.734 1.00 0.00 H new ATOM 0 HA LEU A 12 5.784 1.857 -1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.773 -0.050 -3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.236 0.188 -2.717 1.00 0.00 H new ATOM 0 HG LEU A 12 4.203 2.516 -3.238 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.008 3.661 -4.441 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.539 3.068 -2.850 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.009 2.194 -4.327 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.313 2.445 -5.718 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.236 0.927 -5.623 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.551 0.981 -5.053 1.00 0.00 H new ATOM 179 N LEU A 13 5.774 -1.394 -0.669 1.00 0.00 N ATOM 180 CA LEU A 13 5.301 -2.447 0.222 1.00 0.00 C ATOM 181 C LEU A 13 5.620 -2.123 1.671 1.00 0.00 C ATOM 182 O LEU A 13 4.748 -2.186 2.531 1.00 0.00 O ATOM 183 CB LEU A 13 5.939 -3.784 -0.148 1.00 0.00 C ATOM 184 CG LEU A 13 5.786 -4.196 -1.609 1.00 0.00 C ATOM 185 CD1 LEU A 13 6.422 -5.553 -1.840 1.00 0.00 C ATOM 186 CD2 LEU A 13 4.321 -4.202 -2.019 1.00 0.00 C ATOM 0 H LEU A 13 6.436 -1.713 -1.376 1.00 0.00 H new ATOM 0 HA LEU A 13 4.219 -2.515 0.107 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.002 -3.739 0.091 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.504 -4.562 0.479 1.00 0.00 H new ATOM 0 HG LEU A 13 6.301 -3.465 -2.232 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.306 -5.836 -2.886 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.482 -5.505 -1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.935 -6.295 -1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.237 -4.499 -3.064 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.772 -4.908 -1.396 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.903 -3.203 -1.891 1.00 0.00 H new ATOM 198 N ASP A 14 6.875 -1.779 1.931 1.00 0.00 N ATOM 199 CA ASP A 14 7.322 -1.438 3.280 1.00 0.00 C ATOM 200 C ASP A 14 6.545 -0.243 3.820 1.00 0.00 C ATOM 201 O ASP A 14 6.203 -0.192 5.000 1.00 0.00 O ATOM 202 CB ASP A 14 8.823 -1.129 3.285 1.00 0.00 C ATOM 203 CG ASP A 14 9.683 -2.369 3.154 1.00 0.00 C ATOM 204 OD1 ASP A 14 9.479 -3.155 2.204 1.00 0.00 O ATOM 205 OD2 ASP A 14 10.583 -2.564 3.995 1.00 0.00 O1- ATOM 0 H ASP A 14 7.607 -1.728 1.222 1.00 0.00 H new ATOM 0 HA ASP A 14 7.135 -2.296 3.925 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.051 -0.447 2.465 1.00 0.00 H new ATOM 0 HB3 ASP A 14 9.079 -0.612 4.210 1.00 0.00 H new ATOM 210 N PHE A 15 6.264 0.704 2.936 1.00 0.00 N ATOM 211 CA PHE A 15 5.503 1.897 3.283 1.00 0.00 C ATOM 212 C PHE A 15 4.081 1.518 3.702 1.00 0.00 C ATOM 213 O PHE A 15 3.630 1.866 4.795 1.00 0.00 O ATOM 214 CB PHE A 15 5.479 2.834 2.073 1.00 0.00 C ATOM 215 CG PHE A 15 4.938 4.209 2.341 1.00 0.00 C ATOM 216 CD1 PHE A 15 3.589 4.480 2.187 1.00 0.00 C ATOM 217 CD2 PHE A 15 5.786 5.239 2.715 1.00 0.00 C ATOM 218 CE1 PHE A 15 3.096 5.750 2.405 1.00 0.00 C ATOM 219 CE2 PHE A 15 5.297 6.512 2.931 1.00 0.00 C ATOM 220 CZ PHE A 15 3.951 6.768 2.776 1.00 0.00 C ATOM 0 H PHE A 15 6.556 0.668 1.959 1.00 0.00 H new ATOM 0 HA PHE A 15 5.974 2.404 4.125 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.494 2.929 1.687 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.881 2.372 1.287 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.915 3.689 1.893 1.00 0.00 H new ATOM 0 HD2 PHE A 15 6.841 5.044 2.839 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.041 5.948 2.285 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.968 7.307 3.221 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.567 7.763 2.945 1.00 0.00 H new ATOM 230 N ILE A 16 3.394 0.786 2.829 1.00 0.00 N ATOM 231 CA ILE A 16 2.040 0.306 3.100 1.00 0.00 C ATOM 232 C ILE A 16 2.021 -0.561 4.357 1.00 0.00 C ATOM 233 O ILE A 16 1.096 -0.498 5.168 1.00 0.00 O ATOM 234 CB ILE A 16 1.498 -0.525 1.915 1.00 0.00 C ATOM 235 CG1 ILE A 16 1.528 0.293 0.623 1.00 0.00 C ATOM 236 CG2 ILE A 16 0.083 -1.005 2.203 1.00 0.00 C ATOM 237 CD1 ILE A 16 1.281 -0.535 -0.620 1.00 0.00 C ATOM 0 H ILE A 16 3.758 0.509 1.917 1.00 0.00 H new ATOM 0 HA ILE A 16 1.406 1.181 3.245 1.00 0.00 H new ATOM 0 HB ILE A 16 2.141 -1.395 1.787 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.775 1.079 0.682 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.497 0.785 0.536 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.282 -1.588 1.358 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.085 -1.626 3.099 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.568 -0.145 2.359 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.316 0.109 -1.499 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.048 -1.305 -0.703 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.300 -1.006 -0.554 1.00 0.00 H new ATOM 249 N ARG A 17 3.064 -1.360 4.501 1.00 0.00 N ATOM 250 CA ARG A 17 3.210 -2.266 5.626 1.00 0.00 C ATOM 251 C ARG A 17 3.260 -1.496 6.944 1.00 0.00 C ATOM 252 O ARG A 17 2.566 -1.845 7.901 1.00 0.00 O ATOM 253 CB ARG A 17 4.479 -3.096 5.431 1.00 0.00 C ATOM 254 CG ARG A 17 4.674 -4.201 6.446 1.00 0.00 C ATOM 255 CD ARG A 17 5.866 -5.063 6.073 1.00 0.00 C ATOM 256 NE ARG A 17 6.163 -6.068 7.088 1.00 0.00 N ATOM 257 CZ ARG A 17 6.864 -7.176 6.852 1.00 0.00 C ATOM 258 NH1 ARG A 17 7.339 -7.425 5.635 1.00 0.00 N1+ ATOM 259 NH2 ARG A 17 7.099 -8.031 7.838 1.00 0.00 N ATOM 0 H ARG A 17 3.837 -1.398 3.837 1.00 0.00 H new ATOM 0 HA ARG A 17 2.346 -2.929 5.671 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.459 -3.536 4.434 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.341 -2.430 5.468 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.825 -3.771 7.436 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.776 -4.816 6.499 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.670 -5.558 5.122 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.740 -4.428 5.928 1.00 0.00 H new ATOM 0 HE ARG A 17 5.813 -5.913 8.034 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.167 -6.766 4.876 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.875 -8.275 5.461 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.743 -7.840 8.775 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.635 -8.880 7.660 1.00 0.00 H new ATOM 273 N GLU A 18 4.060 -0.434 6.983 1.00 0.00 N ATOM 274 CA GLU A 18 4.171 0.389 8.182 1.00 0.00 C ATOM 275 C GLU A 18 2.863 1.117 8.478 1.00 0.00 C ATOM 276 O GLU A 18 2.550 1.385 9.640 1.00 0.00 O ATOM 277 CB GLU A 18 5.324 1.388 8.062 1.00 0.00 C ATOM 278 CG GLU A 18 6.693 0.735 8.169 1.00 0.00 C ATOM 279 CD GLU A 18 7.827 1.735 8.255 1.00 0.00 C ATOM 280 OE1 GLU A 18 7.612 2.848 8.776 1.00 0.00 O1- ATOM 281 OE2 GLU A 18 8.950 1.400 7.818 1.00 0.00 O ATOM 0 H GLU A 18 4.638 -0.125 6.202 1.00 0.00 H new ATOM 0 HA GLU A 18 4.383 -0.279 9.017 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.249 1.907 7.106 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.226 2.142 8.843 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.715 0.094 9.051 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.850 0.091 7.303 1.00 0.00 H new ATOM 288 N LEU A 19 2.092 1.422 7.434 1.00 0.00 N ATOM 289 CA LEU A 19 0.779 2.037 7.615 1.00 0.00 C ATOM 290 C LEU A 19 -0.092 1.148 8.490 1.00 0.00 C ATOM 291 O LEU A 19 -0.693 1.605 9.459 1.00 0.00 O ATOM 292 CB LEU A 19 0.068 2.256 6.276 1.00 0.00 C ATOM 293 CG LEU A 19 0.814 3.104 5.252 1.00 0.00 C ATOM 294 CD1 LEU A 19 0.011 3.210 3.965 1.00 0.00 C ATOM 295 CD2 LEU A 19 1.107 4.489 5.804 1.00 0.00 C ATOM 0 H LEU A 19 2.352 1.255 6.462 1.00 0.00 H new ATOM 0 HA LEU A 19 0.934 3.006 8.090 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.135 1.282 5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.897 2.724 6.472 1.00 0.00 H new ATOM 0 HG LEU A 19 1.763 2.615 5.035 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.557 3.819 3.244 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.148 2.214 3.552 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.953 3.674 4.175 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.640 5.074 5.054 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.170 4.987 6.054 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.722 4.401 6.700 1.00 0.00 H new ATOM 307 N GLY A 20 -0.146 -0.129 8.145 1.00 0.00 N ATOM 308 CA GLY A 20 -0.970 -1.062 8.885 1.00 0.00 C ATOM 309 C GLY A 20 -0.430 -1.355 10.270 1.00 0.00 C ATOM 310 O GLY A 20 -1.183 -1.751 11.162 1.00 0.00 O ATOM 0 H GLY A 20 0.367 -0.537 7.364 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.979 -0.658 8.972 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.047 -1.994 8.326 1.00 0.00 H new ATOM 314 N ASP A 21 0.868 -1.159 10.455 1.00 0.00 N ATOM 315 CA ASP A 21 1.497 -1.402 11.748 1.00 0.00 C ATOM 316 C ASP A 21 1.047 -0.379 12.784 1.00 0.00 C ATOM 317 O ASP A 21 0.702 -0.736 13.909 1.00 0.00 O ATOM 318 CB ASP A 21 3.026 -1.382 11.638 1.00 0.00 C ATOM 319 CG ASP A 21 3.589 -2.660 11.053 1.00 0.00 C ATOM 320 OD1 ASP A 21 3.075 -3.747 11.386 1.00 0.00 O ATOM 321 OD2 ASP A 21 4.570 -2.592 10.284 1.00 0.00 O1- ATOM 0 H ASP A 21 1.506 -0.833 9.729 1.00 0.00 H new ATOM 0 HA ASP A 21 1.182 -2.394 12.073 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.330 -0.539 11.018 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.455 -1.221 12.627 1.00 0.00 H new ATOM 326 N VAL A 22 1.023 0.886 12.398 1.00 0.00 N ATOM 327 CA VAL A 22 0.702 1.951 13.337 1.00 0.00 C ATOM 328 C VAL A 22 -0.785 2.253 13.323 1.00 0.00 C ATOM 329 O VAL A 22 -1.326 2.830 14.265 1.00 0.00 O ATOM 330 CB VAL A 22 1.491 3.240 13.037 1.00 0.00 C ATOM 331 CG1 VAL A 22 2.965 3.039 13.330 1.00 0.00 C ATOM 332 CG2 VAL A 22 1.293 3.673 11.593 1.00 0.00 C ATOM 0 H VAL A 22 1.220 1.200 11.448 1.00 0.00 H new ATOM 0 HA VAL A 22 0.990 1.597 14.327 1.00 0.00 H new ATOM 0 HB VAL A 22 1.110 4.030 13.685 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.508 3.959 13.113 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.095 2.780 14.381 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.353 2.233 12.707 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.860 4.585 11.406 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.642 2.885 10.926 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.235 3.860 11.411 1.00 0.00 H new ATOM 342 N GLY A 23 -1.445 1.853 12.252 1.00 0.00 N ATOM 343 CA GLY A 23 -2.871 2.044 12.162 1.00 0.00 C ATOM 344 C GLY A 23 -3.245 3.207 11.271 1.00 0.00 C ATOM 345 O GLY A 23 -4.169 3.955 11.571 1.00 0.00 O ATOM 0 H GLY A 23 -1.018 1.400 11.444 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.333 1.134 11.779 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.276 2.211 13.160 1.00 0.00 H new ATOM 349 N LEU A 24 -2.511 3.370 10.186 1.00 0.00 N ATOM 350 CA LEU A 24 -2.827 4.385 9.190 1.00 0.00 C ATOM 351 C LEU A 24 -3.628 3.754 8.072 1.00 0.00 C ATOM 352 O LEU A 24 -4.463 4.391 7.434 1.00 0.00 O ATOM 353 CB LEU A 24 -1.546 5.000 8.627 1.00 0.00 C ATOM 354 CG LEU A 24 -0.748 5.847 9.611 1.00 0.00 C ATOM 355 CD1 LEU A 24 0.608 6.211 9.031 1.00 0.00 C ATOM 356 CD2 LEU A 24 -1.527 7.099 9.968 1.00 0.00 C ATOM 0 H LEU A 24 -1.686 2.810 9.968 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.411 5.176 9.661 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.906 4.197 8.261 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.806 5.618 7.767 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.583 5.265 10.517 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.161 6.816 9.750 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.168 5.301 8.816 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.470 6.778 8.110 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.950 7.699 10.672 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.715 7.680 9.065 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.477 6.819 10.424 1.00 0.00 H new ATOM 368 N LEU A 25 -3.367 2.479 7.855 1.00 0.00 N ATOM 369 CA LEU A 25 -4.018 1.731 6.803 1.00 0.00 C ATOM 370 C LEU A 25 -5.343 1.165 7.293 1.00 0.00 C ATOM 371 O LEU A 25 -6.168 0.713 6.500 1.00 0.00 O ATOM 372 CB LEU A 25 -3.095 0.608 6.350 1.00 0.00 C ATOM 373 CG LEU A 25 -3.536 -0.144 5.105 1.00 0.00 C ATOM 374 CD1 LEU A 25 -3.706 0.816 3.937 1.00 0.00 C ATOM 375 CD2 LEU A 25 -2.526 -1.226 4.776 1.00 0.00 C ATOM 0 H LEU A 25 -2.699 1.936 8.403 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.226 2.393 5.962 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.105 1.027 6.168 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.994 -0.106 7.167 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.501 -0.615 5.294 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.022 0.262 3.053 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.460 1.562 4.186 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.757 1.313 3.733 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.846 -1.763 3.883 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.551 -0.772 4.597 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.454 -1.922 5.611 1.00 0.00 H new ATOM 387 N GLU A 26 -5.537 1.211 8.603 1.00 0.00 N ATOM 388 CA GLU A 26 -6.739 0.675 9.225 1.00 0.00 C ATOM 389 C GLU A 26 -7.986 1.392 8.705 1.00 0.00 C ATOM 390 O GLU A 26 -8.000 2.618 8.551 1.00 0.00 O ATOM 391 CB GLU A 26 -6.642 0.783 10.752 1.00 0.00 C ATOM 392 CG GLU A 26 -6.752 2.200 11.295 1.00 0.00 C ATOM 393 CD GLU A 26 -6.872 2.233 12.805 1.00 0.00 C ATOM 394 OE1 GLU A 26 -7.988 2.019 13.319 1.00 0.00 O ATOM 395 OE2 GLU A 26 -5.853 2.468 13.489 1.00 0.00 O1- ATOM 0 H GLU A 26 -4.871 1.618 9.260 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.825 -0.379 8.960 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.430 0.175 11.197 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.691 0.357 11.074 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.875 2.772 10.990 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.621 2.689 10.854 1.00 0.00 H new ATOM 402 N TYR A 27 -9.016 0.618 8.412 1.00 0.00 N ATOM 403 CA TYR A 27 -10.252 1.155 7.864 1.00 0.00 C ATOM 404 C TYR A 27 -11.446 0.353 8.374 1.00 0.00 C ATOM 405 O TYR A 27 -11.279 -0.621 9.109 1.00 0.00 O ATOM 406 CB TYR A 27 -10.208 1.122 6.330 1.00 0.00 C ATOM 407 CG TYR A 27 -10.106 -0.274 5.755 1.00 0.00 C ATOM 408 CD1 TYR A 27 -8.889 -0.939 5.710 1.00 0.00 C ATOM 409 CD2 TYR A 27 -11.228 -0.934 5.274 1.00 0.00 C ATOM 410 CE1 TYR A 27 -8.794 -2.217 5.201 1.00 0.00 C ATOM 411 CE2 TYR A 27 -11.140 -2.215 4.765 1.00 0.00 C ATOM 412 CZ TYR A 27 -9.921 -2.852 4.731 1.00 0.00 C ATOM 413 OH TYR A 27 -9.829 -4.133 4.232 1.00 0.00 O ATOM 0 H TYR A 27 -9.021 -0.393 8.545 1.00 0.00 H new ATOM 0 HA TYR A 27 -10.360 2.190 8.190 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.105 1.602 5.939 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -9.357 1.710 5.987 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.001 -0.447 6.080 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.187 -0.437 5.298 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.838 -2.718 5.171 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -12.024 -2.714 4.396 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.715 -4.436 3.943 1.00 0.00 H new ATOM 423 N GLU A 28 -12.642 0.769 7.983 1.00 0.00 N ATOM 424 CA GLU A 28 -13.863 0.077 8.360 1.00 0.00 C ATOM 425 C GLU A 28 -14.925 0.323 7.300 1.00 0.00 C ATOM 426 O GLU A 28 -15.418 1.439 7.150 1.00 0.00 O ATOM 427 CB GLU A 28 -14.357 0.552 9.728 1.00 0.00 C ATOM 428 CG GLU A 28 -15.557 -0.227 10.242 1.00 0.00 C ATOM 429 CD GLU A 28 -16.010 0.232 11.610 1.00 0.00 C ATOM 430 OE1 GLU A 28 -15.442 -0.238 12.619 1.00 0.00 O ATOM 431 OE2 GLU A 28 -16.935 1.066 11.687 1.00 0.00 O1- ATOM 0 H GLU A 28 -12.792 1.591 7.399 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.659 -0.991 8.430 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.543 0.468 10.449 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.619 1.608 9.664 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -16.382 -0.122 9.537 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -15.306 -1.287 10.284 1.00 0.00 H new ATOM 438 N LEU A 29 -15.258 -0.717 6.558 1.00 0.00 N ATOM 439 CA LEU A 29 -16.180 -0.595 5.440 1.00 0.00 C ATOM 440 C LEU A 29 -17.623 -0.769 5.880 1.00 0.00 C ATOM 441 O LEU A 29 -17.950 -1.685 6.636 1.00 0.00 O ATOM 442 CB LEU A 29 -15.850 -1.635 4.377 1.00 0.00 C ATOM 443 CG LEU A 29 -14.471 -1.500 3.746 1.00 0.00 C ATOM 444 CD1 LEU A 29 -14.169 -2.712 2.891 1.00 0.00 C ATOM 445 CD2 LEU A 29 -14.384 -0.231 2.914 1.00 0.00 C ATOM 0 H LEU A 29 -14.902 -1.661 6.709 1.00 0.00 H new ATOM 0 HA LEU A 29 -16.067 0.408 5.029 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -15.933 -2.626 4.823 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -16.600 -1.576 3.589 1.00 0.00 H new ATOM 0 HG LEU A 29 -13.730 -1.438 4.543 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -13.180 -2.605 2.444 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -14.193 -3.609 3.510 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -14.916 -2.796 2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -13.391 -0.153 2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -15.132 -0.263 2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -14.566 0.635 3.551 1.00 0.00 H new ATOM 457 N SER A 30 -18.474 0.118 5.398 1.00 0.00 N ATOM 458 CA SER A 30 -19.906 0.021 5.625 1.00 0.00 C ATOM 459 C SER A 30 -20.524 -0.941 4.614 1.00 0.00 C ATOM 460 O SER A 30 -19.851 -1.352 3.669 1.00 0.00 O ATOM 461 CB SER A 30 -20.544 1.405 5.504 1.00 0.00 C ATOM 462 OG SER A 30 -19.798 2.368 6.230 1.00 0.00 O ATOM 0 H SER A 30 -18.194 0.924 4.839 1.00 0.00 H new ATOM 0 HA SER A 30 -20.089 -0.361 6.629 1.00 0.00 H new ATOM 0 HB2 SER A 30 -20.598 1.695 4.455 1.00 0.00 H new ATOM 0 HB3 SER A 30 -21.567 1.373 5.879 1.00 0.00 H new ATOM 0 HG SER A 30 -18.969 2.571 5.748 1.00 0.00 H new ATOM 468 N GLN A 31 -21.788 -1.298 4.804 1.00 0.00 N ATOM 469 CA GLN A 31 -22.461 -2.240 3.910 1.00 0.00 C ATOM 470 C GLN A 31 -22.351 -1.799 2.454 1.00 0.00 C ATOM 471 O GLN A 31 -22.056 -2.609 1.572 1.00 0.00 O ATOM 472 CB GLN A 31 -23.932 -2.400 4.302 1.00 0.00 C ATOM 473 CG GLN A 31 -24.134 -3.110 5.630 1.00 0.00 C ATOM 474 CD GLN A 31 -23.556 -4.511 5.629 1.00 0.00 C ATOM 475 OE1 GLN A 31 -24.235 -5.479 5.283 1.00 0.00 O ATOM 476 NE2 GLN A 31 -22.298 -4.632 6.018 1.00 0.00 N ATOM 0 H GLN A 31 -22.370 -0.952 5.567 1.00 0.00 H new ATOM 0 HA GLN A 31 -21.962 -3.204 4.012 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -24.395 -1.415 4.352 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -24.449 -2.956 3.520 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -23.668 -2.528 6.425 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -25.200 -3.159 5.854 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -21.769 -3.806 6.297 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -21.857 -5.551 6.039 1.00 0.00 H new ATOM 485 N GLN A 32 -22.546 -0.511 2.214 1.00 0.00 N ATOM 486 CA GLN A 32 -22.488 0.028 0.859 1.00 0.00 C ATOM 487 C GLN A 32 -21.058 -0.001 0.332 1.00 0.00 C ATOM 488 O GLN A 32 -20.818 -0.364 -0.820 1.00 0.00 O ATOM 489 CB GLN A 32 -23.036 1.457 0.821 1.00 0.00 C ATOM 490 CG GLN A 32 -23.127 2.034 -0.587 1.00 0.00 C ATOM 491 CD GLN A 32 -24.014 1.212 -1.511 1.00 0.00 C ATOM 492 OE1 GLN A 32 -23.778 1.145 -2.719 1.00 0.00 O ATOM 493 NE2 GLN A 32 -25.048 0.595 -0.957 1.00 0.00 N ATOM 0 H GLN A 32 -22.745 0.181 2.936 1.00 0.00 H new ATOM 0 HA GLN A 32 -23.109 -0.598 0.218 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -24.027 1.470 1.276 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -22.398 2.099 1.428 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -23.513 3.052 -0.532 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -22.126 2.096 -1.014 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -25.211 0.674 0.047 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -25.681 0.041 -1.534 1.00 0.00 H new ATOM 502 N GLU A 33 -20.110 0.356 1.190 1.00 0.00 N ATOM 503 CA GLU A 33 -18.700 0.348 0.822 1.00 0.00 C ATOM 504 C GLU A 33 -18.242 -1.074 0.509 1.00 0.00 C ATOM 505 O GLU A 33 -17.337 -1.286 -0.291 1.00 0.00 O ATOM 506 CB GLU A 33 -17.849 0.935 1.950 1.00 0.00 C ATOM 507 CG GLU A 33 -18.207 2.370 2.306 1.00 0.00 C ATOM 508 CD GLU A 33 -17.389 2.902 3.466 1.00 0.00 C ATOM 509 OE1 GLU A 33 -17.703 2.563 4.622 1.00 0.00 O1- ATOM 510 OE2 GLU A 33 -16.426 3.661 3.226 1.00 0.00 O ATOM 0 H GLU A 33 -20.293 0.655 2.148 1.00 0.00 H new ATOM 0 HA GLU A 33 -18.574 0.964 -0.069 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -17.959 0.312 2.838 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -16.799 0.894 1.660 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -18.052 3.006 1.435 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -19.266 2.425 2.557 1.00 0.00 H new ATOM 517 N LYS A 34 -18.891 -2.048 1.131 1.00 0.00 N ATOM 518 CA LYS A 34 -18.561 -3.445 0.913 1.00 0.00 C ATOM 519 C LYS A 34 -19.212 -3.955 -0.362 1.00 0.00 C ATOM 520 O LYS A 34 -18.677 -4.829 -1.039 1.00 0.00 O ATOM 521 CB LYS A 34 -19.004 -4.289 2.111 1.00 0.00 C ATOM 522 CG LYS A 34 -18.140 -4.094 3.342 1.00 0.00 C ATOM 523 CD LYS A 34 -18.630 -4.929 4.511 1.00 0.00 C ATOM 524 CE LYS A 34 -17.697 -4.803 5.703 1.00 0.00 C ATOM 525 NZ LYS A 34 -18.182 -5.569 6.880 1.00 0.00 N1+ ATOM 0 H LYS A 34 -19.652 -1.893 1.793 1.00 0.00 H new ATOM 0 HA LYS A 34 -17.480 -3.531 0.806 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -20.036 -4.041 2.358 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -18.988 -5.342 1.829 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -17.110 -4.363 3.109 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -18.139 -3.041 3.623 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -19.633 -4.610 4.795 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -18.702 -5.974 4.210 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.705 -5.158 5.425 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -17.595 -3.752 5.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -17.514 -5.453 7.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -19.117 -5.214 7.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -18.255 -6.577 6.633 1.00 0.00 H new ATOM 539 N ASP A 35 -20.352 -3.377 -0.702 1.00 0.00 N ATOM 540 CA ASP A 35 -21.123 -3.816 -1.859 1.00 0.00 C ATOM 541 C ASP A 35 -20.417 -3.457 -3.157 1.00 0.00 C ATOM 542 O ASP A 35 -20.536 -4.165 -4.155 1.00 0.00 O ATOM 543 CB ASP A 35 -22.516 -3.188 -1.834 1.00 0.00 C ATOM 544 CG ASP A 35 -23.409 -3.718 -2.940 1.00 0.00 C ATOM 545 OD1 ASP A 35 -23.832 -4.889 -2.860 1.00 0.00 O1- ATOM 546 OD2 ASP A 35 -23.687 -2.968 -3.899 1.00 0.00 O ATOM 0 H ASP A 35 -20.768 -2.598 -0.192 1.00 0.00 H new ATOM 0 HA ASP A 35 -21.216 -4.901 -1.809 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -22.983 -3.384 -0.869 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -22.426 -2.106 -1.931 1.00 0.00 H new ATOM 551 N VAL A 36 -19.670 -2.366 -3.139 1.00 0.00 N ATOM 552 CA VAL A 36 -18.971 -1.915 -4.332 1.00 0.00 C ATOM 553 C VAL A 36 -17.636 -2.641 -4.492 1.00 0.00 C ATOM 554 O VAL A 36 -17.154 -2.838 -5.607 1.00 0.00 O ATOM 555 CB VAL A 36 -18.745 -0.385 -4.315 1.00 0.00 C ATOM 556 CG1 VAL A 36 -20.074 0.346 -4.227 1.00 0.00 C ATOM 557 CG2 VAL A 36 -17.837 0.028 -3.166 1.00 0.00 C ATOM 0 H VAL A 36 -19.532 -1.778 -2.317 1.00 0.00 H new ATOM 0 HA VAL A 36 -19.605 -2.155 -5.186 1.00 0.00 H new ATOM 0 HB VAL A 36 -18.252 -0.110 -5.247 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -19.898 1.422 -4.216 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -20.689 0.088 -5.089 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -20.590 0.054 -3.313 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -17.698 1.109 -3.182 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -18.291 -0.265 -2.220 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.870 -0.464 -3.272 1.00 0.00 H new ATOM 567 N LEU A 37 -17.056 -3.065 -3.376 1.00 0.00 N ATOM 568 CA LEU A 37 -15.750 -3.712 -3.399 1.00 0.00 C ATOM 569 C LEU A 37 -15.888 -5.225 -3.517 1.00 0.00 C ATOM 570 O LEU A 37 -15.306 -5.840 -4.407 1.00 0.00 O ATOM 571 CB LEU A 37 -14.959 -3.346 -2.143 1.00 0.00 C ATOM 572 CG LEU A 37 -14.815 -1.843 -1.896 1.00 0.00 C ATOM 573 CD1 LEU A 37 -13.987 -1.579 -0.654 1.00 0.00 C ATOM 574 CD2 LEU A 37 -14.204 -1.154 -3.105 1.00 0.00 C ATOM 0 H LEU A 37 -17.467 -2.973 -2.447 1.00 0.00 H new ATOM 0 HA LEU A 37 -15.209 -3.355 -4.275 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.446 -3.798 -1.279 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.964 -3.786 -2.215 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.811 -1.429 -1.736 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -13.898 -0.504 -0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.473 -2.032 0.210 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.994 -2.011 -0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -14.111 -0.086 -2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -13.218 -1.574 -3.303 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.845 -1.307 -3.974 1.00 0.00 H new ATOM 659 N LYS B 43 -1.535 8.711 12.815 1.00 0.00 N ATOM 660 CA LYS B 43 -0.344 8.061 13.334 1.00 0.00 C ATOM 661 C LYS B 43 0.866 8.453 12.486 1.00 0.00 C ATOM 662 O LYS B 43 0.756 9.277 11.576 1.00 0.00 O ATOM 663 CB LYS B 43 -0.530 6.533 13.345 1.00 0.00 C ATOM 664 CG LYS B 43 -1.766 6.064 14.112 1.00 0.00 C ATOM 665 CD LYS B 43 -3.046 6.283 13.316 1.00 0.00 C ATOM 666 CE LYS B 43 -4.291 6.103 14.163 1.00 0.00 C ATOM 667 NZ LYS B 43 -4.560 4.679 14.490 1.00 0.00 N1+ ATOM 0 HA LYS B 43 -0.175 8.388 14.360 1.00 0.00 H new ATOM 0 HB2 LYS B 43 -0.596 6.178 12.317 1.00 0.00 H new ATOM 0 HB3 LYS B 43 0.355 6.073 13.785 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -1.664 5.006 14.352 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -1.831 6.600 15.059 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -3.040 7.287 12.892 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -3.075 5.585 12.480 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -4.182 6.670 15.088 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -5.149 6.519 13.634 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -5.215 4.626 15.296 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -4.986 4.208 13.666 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -3.668 4.205 14.737 1.00 0.00 H new ATOM 681 N THR B 44 2.012 7.866 12.780 1.00 0.00 N ATOM 682 CA THR B 44 3.247 8.226 12.104 1.00 0.00 C ATOM 683 C THR B 44 4.019 6.963 11.729 1.00 0.00 C ATOM 684 O THR B 44 3.899 5.943 12.408 1.00 0.00 O ATOM 685 CB THR B 44 4.108 9.108 13.026 1.00 0.00 C ATOM 686 OG1 THR B 44 3.278 10.064 13.705 1.00 0.00 O ATOM 687 CG2 THR B 44 5.180 9.847 12.248 1.00 0.00 C ATOM 0 H THR B 44 2.114 7.136 13.485 1.00 0.00 H new ATOM 0 HA THR B 44 3.009 8.782 11.197 1.00 0.00 H new ATOM 0 HB THR B 44 4.594 8.453 13.749 1.00 0.00 H new ATOM 0 HG1 THR B 44 3.832 10.621 14.291 1.00 0.00 H new ATOM 0 HG21 THR B 44 5.768 10.460 12.931 1.00 0.00 H new ATOM 0 HG22 THR B 44 5.832 9.127 11.753 1.00 0.00 H new ATOM 0 HG23 THR B 44 4.711 10.486 11.500 1.00 0.00 H new ATOM 695 N LEU B 45 4.800 7.025 10.654 1.00 0.00 N ATOM 696 CA LEU B 45 5.563 5.867 10.200 1.00 0.00 C ATOM 697 C LEU B 45 6.685 5.537 11.175 1.00 0.00 C ATOM 698 O LEU B 45 7.015 6.330 12.059 1.00 0.00 O ATOM 699 CB LEU B 45 6.142 6.104 8.803 1.00 0.00 C ATOM 700 CG LEU B 45 5.115 6.233 7.676 1.00 0.00 C ATOM 701 CD1 LEU B 45 5.809 6.288 6.329 1.00 0.00 C ATOM 702 CD2 LEU B 45 4.131 5.080 7.706 1.00 0.00 C ATOM 0 H LEU B 45 4.921 7.862 10.083 1.00 0.00 H new ATOM 0 HA LEU B 45 4.878 5.020 10.155 1.00 0.00 H new ATOM 0 HB2 LEU B 45 6.744 7.012 8.828 1.00 0.00 H new ATOM 0 HB3 LEU B 45 6.816 5.281 8.564 1.00 0.00 H new ATOM 0 HG LEU B 45 4.564 7.161 7.828 1.00 0.00 H new ATOM 0 HD11 LEU B 45 5.064 6.380 5.539 1.00 0.00 H new ATOM 0 HD12 LEU B 45 6.477 7.149 6.299 1.00 0.00 H new ATOM 0 HD13 LEU B 45 6.386 5.375 6.179 1.00 0.00 H new ATOM 0 HD21 LEU B 45 3.411 5.195 6.895 1.00 0.00 H new ATOM 0 HD22 LEU B 45 4.669 4.140 7.584 1.00 0.00 H new ATOM 0 HD23 LEU B 45 3.605 5.076 8.660 1.00 0.00 H new ATOM 714 N LYS B 46 7.275 4.366 10.988 1.00 0.00 N ATOM 715 CA LYS B 46 8.272 3.846 11.912 1.00 0.00 C ATOM 716 C LYS B 46 9.674 4.120 11.395 1.00 0.00 C ATOM 717 O LYS B 46 10.589 4.405 12.169 1.00 0.00 O ATOM 718 CB LYS B 46 8.067 2.346 12.109 1.00 0.00 C ATOM 719 CG LYS B 46 6.726 2.002 12.735 1.00 0.00 C ATOM 720 CD LYS B 46 5.986 0.944 11.935 1.00 0.00 C ATOM 721 CE LYS B 46 6.728 -0.384 11.931 1.00 0.00 C ATOM 722 NZ LYS B 46 6.841 -0.966 13.295 1.00 0.00 N1+ ATOM 0 H LYS B 46 7.078 3.753 10.197 1.00 0.00 H new ATOM 0 HA LYS B 46 8.155 4.350 12.871 1.00 0.00 H new ATOM 0 HB2 LYS B 46 8.150 1.845 11.145 1.00 0.00 H new ATOM 0 HB3 LYS B 46 8.866 1.957 12.740 1.00 0.00 H new ATOM 0 HG2 LYS B 46 6.881 1.646 13.753 1.00 0.00 H new ATOM 0 HG3 LYS B 46 6.114 2.902 12.802 1.00 0.00 H new ATOM 0 HD2 LYS B 46 4.990 0.802 12.354 1.00 0.00 H new ATOM 0 HD3 LYS B 46 5.854 1.290 10.910 1.00 0.00 H new ATOM 0 HE2 LYS B 46 6.209 -1.087 11.279 1.00 0.00 H new ATOM 0 HE3 LYS B 46 7.725 -0.240 11.515 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 7.166 -1.951 13.226 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 7.524 -0.414 13.852 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 5.912 -0.940 13.762 1.00 0.00 H new ATOM 736 N THR B 47 9.840 4.022 10.087 1.00 0.00 N ATOM 737 CA THR B 47 11.103 4.360 9.462 1.00 0.00 C ATOM 738 C THR B 47 11.103 5.824 9.048 1.00 0.00 C ATOM 739 O THR B 47 10.265 6.256 8.263 1.00 0.00 O ATOM 740 CB THR B 47 11.374 3.493 8.222 1.00 0.00 C ATOM 741 OG1 THR B 47 11.366 2.106 8.581 1.00 0.00 O ATOM 742 CG2 THR B 47 12.711 3.860 7.600 1.00 0.00 C ATOM 0 H THR B 47 9.116 3.711 9.440 1.00 0.00 H new ATOM 0 HA THR B 47 11.889 4.174 10.194 1.00 0.00 H new ATOM 0 HB THR B 47 10.587 3.676 7.491 1.00 0.00 H new ATOM 0 HG1 THR B 47 10.604 1.662 8.153 1.00 0.00 H new ATOM 0 HG21 THR B 47 12.888 3.237 6.723 1.00 0.00 H new ATOM 0 HG22 THR B 47 12.699 4.909 7.303 1.00 0.00 H new ATOM 0 HG23 THR B 47 13.507 3.698 8.327 1.00 0.00 H new ATOM 750 N LYS B 48 12.060 6.572 9.575 1.00 0.00 N ATOM 751 CA LYS B 48 12.146 8.007 9.335 1.00 0.00 C ATOM 752 C LYS B 48 12.406 8.311 7.864 1.00 0.00 C ATOM 753 O LYS B 48 11.956 9.331 7.340 1.00 0.00 O ATOM 754 CB LYS B 48 13.251 8.605 10.200 1.00 0.00 C ATOM 755 CG LYS B 48 13.300 10.127 10.181 1.00 0.00 C ATOM 756 CD LYS B 48 11.953 10.758 10.529 1.00 0.00 C ATOM 757 CE LYS B 48 11.442 10.316 11.895 1.00 0.00 C ATOM 758 NZ LYS B 48 10.110 10.902 12.207 1.00 0.00 N1+ ATOM 0 H LYS B 48 12.796 6.205 10.178 1.00 0.00 H new ATOM 0 HA LYS B 48 11.190 8.457 9.602 1.00 0.00 H new ATOM 0 HB2 LYS B 48 13.115 8.269 11.228 1.00 0.00 H new ATOM 0 HB3 LYS B 48 14.212 8.217 9.863 1.00 0.00 H new ATOM 0 HG2 LYS B 48 14.053 10.472 10.889 1.00 0.00 H new ATOM 0 HG3 LYS B 48 13.612 10.465 9.193 1.00 0.00 H new ATOM 0 HD2 LYS B 48 12.048 11.844 10.513 1.00 0.00 H new ATOM 0 HD3 LYS B 48 11.222 10.491 9.766 1.00 0.00 H new ATOM 0 HE2 LYS B 48 11.375 9.228 11.923 1.00 0.00 H new ATOM 0 HE3 LYS B 48 12.157 10.611 12.663 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 9.506 10.178 12.645 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 10.227 11.699 12.864 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 9.665 11.239 11.330 1.00 0.00 H new ATOM 772 N ALA B 49 13.141 7.426 7.207 1.00 0.00 N ATOM 773 CA ALA B 49 13.405 7.556 5.780 1.00 0.00 C ATOM 774 C ALA B 49 12.104 7.545 4.980 1.00 0.00 C ATOM 775 O ALA B 49 11.998 8.191 3.942 1.00 0.00 O ATOM 776 CB ALA B 49 14.326 6.439 5.314 1.00 0.00 C ATOM 0 H ALA B 49 13.567 6.607 7.641 1.00 0.00 H new ATOM 0 HA ALA B 49 13.897 8.513 5.608 1.00 0.00 H new ATOM 0 HB1 ALA B 49 14.516 6.546 4.246 1.00 0.00 H new ATOM 0 HB2 ALA B 49 15.269 6.494 5.858 1.00 0.00 H new ATOM 0 HB3 ALA B 49 13.854 5.475 5.503 1.00 0.00 H new ATOM 782 N PHE B 50 11.113 6.818 5.483 1.00 0.00 N ATOM 783 CA PHE B 50 9.812 6.728 4.829 1.00 0.00 C ATOM 784 C PHE B 50 8.846 7.757 5.398 1.00 0.00 C ATOM 785 O PHE B 50 8.031 8.329 4.672 1.00 0.00 O ATOM 786 CB PHE B 50 9.233 5.322 4.991 1.00 0.00 C ATOM 787 CG PHE B 50 9.755 4.331 3.990 1.00 0.00 C ATOM 788 CD1 PHE B 50 11.070 4.381 3.551 1.00 0.00 C ATOM 789 CD2 PHE B 50 8.922 3.349 3.487 1.00 0.00 C ATOM 790 CE1 PHE B 50 11.541 3.470 2.628 1.00 0.00 C ATOM 791 CE2 PHE B 50 9.388 2.435 2.563 1.00 0.00 C ATOM 792 CZ PHE B 50 10.699 2.495 2.132 1.00 0.00 C ATOM 0 H PHE B 50 11.186 6.280 6.346 1.00 0.00 H new ATOM 0 HA PHE B 50 9.951 6.936 3.768 1.00 0.00 H new ATOM 0 HB2 PHE B 50 9.456 4.961 5.995 1.00 0.00 H new ATOM 0 HB3 PHE B 50 8.148 5.374 4.904 1.00 0.00 H new ATOM 0 HD1 PHE B 50 11.733 5.142 3.936 1.00 0.00 H new ATOM 0 HD2 PHE B 50 7.896 3.296 3.820 1.00 0.00 H new ATOM 0 HE1 PHE B 50 12.567 3.520 2.294 1.00 0.00 H new ATOM 0 HE2 PHE B 50 8.727 1.673 2.177 1.00 0.00 H new ATOM 0 HZ PHE B 50 11.064 1.781 1.409 1.00 0.00 H new ATOM 802 N ASP B 51 8.950 7.985 6.702 1.00 0.00 N ATOM 803 CA ASP B 51 8.109 8.954 7.399 1.00 0.00 C ATOM 804 C ASP B 51 8.214 10.327 6.757 1.00 0.00 C ATOM 805 O ASP B 51 7.234 11.072 6.700 1.00 0.00 O ATOM 806 CB ASP B 51 8.508 9.048 8.868 1.00 0.00 C ATOM 807 CG ASP B 51 7.744 10.132 9.594 1.00 0.00 C ATOM 808 OD1 ASP B 51 6.499 10.080 9.603 1.00 0.00 O1- ATOM 809 OD2 ASP B 51 8.394 11.050 10.141 1.00 0.00 O ATOM 0 H ASP B 51 9.618 7.505 7.306 1.00 0.00 H new ATOM 0 HA ASP B 51 7.077 8.611 7.327 1.00 0.00 H new ATOM 0 HB2 ASP B 51 8.328 8.089 9.355 1.00 0.00 H new ATOM 0 HB3 ASP B 51 9.577 9.247 8.941 1.00 0.00 H new ATOM 814 N ASP B 52 9.405 10.648 6.267 1.00 0.00 N ATOM 815 CA ASP B 52 9.647 11.922 5.602 1.00 0.00 C ATOM 816 C ASP B 52 8.619 12.166 4.508 1.00 0.00 C ATOM 817 O ASP B 52 7.973 13.207 4.481 1.00 0.00 O ATOM 818 CB ASP B 52 11.054 11.958 5.011 1.00 0.00 C ATOM 819 CG ASP B 52 11.361 13.274 4.324 1.00 0.00 C ATOM 820 OD1 ASP B 52 11.744 14.238 5.020 1.00 0.00 O ATOM 821 OD2 ASP B 52 11.240 13.344 3.086 1.00 0.00 O1- ATOM 0 H ASP B 52 10.222 10.040 6.318 1.00 0.00 H new ATOM 0 HA ASP B 52 9.556 12.713 6.347 1.00 0.00 H new ATOM 0 HB2 ASP B 52 11.782 11.787 5.804 1.00 0.00 H new ATOM 0 HB3 ASP B 52 11.165 11.143 4.295 1.00 0.00 H new ATOM 826 N ILE B 53 8.444 11.186 3.635 1.00 0.00 N ATOM 827 CA ILE B 53 7.494 11.308 2.539 1.00 0.00 C ATOM 828 C ILE B 53 6.072 11.437 3.074 1.00 0.00 C ATOM 829 O ILE B 53 5.297 12.267 2.602 1.00 0.00 O ATOM 830 CB ILE B 53 7.554 10.099 1.579 1.00 0.00 C ATOM 831 CG1 ILE B 53 8.974 9.888 1.049 1.00 0.00 C ATOM 832 CG2 ILE B 53 6.583 10.281 0.422 1.00 0.00 C ATOM 833 CD1 ILE B 53 9.746 8.815 1.782 1.00 0.00 C ATOM 0 H ILE B 53 8.946 10.299 3.663 1.00 0.00 H new ATOM 0 HA ILE B 53 7.771 12.205 1.985 1.00 0.00 H new ATOM 0 HB ILE B 53 7.263 9.212 2.142 1.00 0.00 H new ATOM 0 HG12 ILE B 53 8.922 9.627 -0.008 1.00 0.00 H new ATOM 0 HG13 ILE B 53 9.521 10.828 1.119 1.00 0.00 H new ATOM 0 HG21 ILE B 53 6.642 9.418 -0.242 1.00 0.00 H new ATOM 0 HG22 ILE B 53 5.568 10.372 0.810 1.00 0.00 H new ATOM 0 HG23 ILE B 53 6.842 11.183 -0.132 1.00 0.00 H new ATOM 0 HD11 ILE B 53 10.742 8.724 1.349 1.00 0.00 H new ATOM 0 HD12 ILE B 53 9.831 9.083 2.835 1.00 0.00 H new ATOM 0 HD13 ILE B 53 9.222 7.863 1.691 1.00 0.00 H new ATOM 845 N TYR B 54 5.744 10.625 4.074 1.00 0.00 N ATOM 846 CA TYR B 54 4.406 10.630 4.656 1.00 0.00 C ATOM 847 C TYR B 54 4.052 12.005 5.225 1.00 0.00 C ATOM 848 O TYR B 54 2.910 12.455 5.116 1.00 0.00 O ATOM 849 CB TYR B 54 4.278 9.561 5.749 1.00 0.00 C ATOM 850 CG TYR B 54 2.865 9.422 6.270 1.00 0.00 C ATOM 851 CD1 TYR B 54 1.823 9.140 5.395 1.00 0.00 C ATOM 852 CD2 TYR B 54 2.560 9.603 7.618 1.00 0.00 C ATOM 853 CE1 TYR B 54 0.524 9.035 5.840 1.00 0.00 C ATOM 854 CE2 TYR B 54 1.256 9.505 8.067 1.00 0.00 C ATOM 855 CZ TYR B 54 0.243 9.220 7.173 1.00 0.00 C ATOM 856 OH TYR B 54 -1.055 9.130 7.613 1.00 0.00 O ATOM 0 H TYR B 54 6.386 9.955 4.498 1.00 0.00 H new ATOM 0 HA TYR B 54 3.703 10.398 3.856 1.00 0.00 H new ATOM 0 HB2 TYR B 54 4.610 8.601 5.353 1.00 0.00 H new ATOM 0 HB3 TYR B 54 4.942 9.812 6.576 1.00 0.00 H new ATOM 0 HD1 TYR B 54 2.036 9.000 4.345 1.00 0.00 H new ATOM 0 HD2 TYR B 54 3.351 9.822 8.320 1.00 0.00 H new ATOM 0 HE1 TYR B 54 -0.271 8.808 5.145 1.00 0.00 H new ATOM 0 HE2 TYR B 54 1.031 9.651 9.113 1.00 0.00 H new ATOM 0 HH TYR B 54 -1.322 9.981 8.020 1.00 0.00 H new ATOM 866 N GLN B 55 5.028 12.677 5.820 1.00 0.00 N ATOM 867 CA GLN B 55 4.779 13.980 6.416 1.00 0.00 C ATOM 868 C GLN B 55 4.932 15.091 5.385 1.00 0.00 C ATOM 869 O GLN B 55 4.278 16.126 5.474 1.00 0.00 O ATOM 870 CB GLN B 55 5.724 14.241 7.591 1.00 0.00 C ATOM 871 CG GLN B 55 5.724 13.145 8.647 1.00 0.00 C ATOM 872 CD GLN B 55 4.332 12.745 9.101 1.00 0.00 C ATOM 873 OE1 GLN B 55 3.395 13.549 9.088 1.00 0.00 O ATOM 874 NE2 GLN B 55 4.196 11.499 9.519 1.00 0.00 N ATOM 0 H GLN B 55 5.989 12.345 5.902 1.00 0.00 H new ATOM 0 HA GLN B 55 3.753 13.976 6.784 1.00 0.00 H new ATOM 0 HB2 GLN B 55 6.737 14.361 7.208 1.00 0.00 H new ATOM 0 HB3 GLN B 55 5.448 15.184 8.062 1.00 0.00 H new ATOM 0 HG2 GLN B 55 6.234 12.268 8.249 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.297 13.483 9.511 1.00 0.00 H new ATOM 0 HE21 GLN B 55 4.998 10.868 9.512 1.00 0.00 H new ATOM 0 HE22 GLN B 55 3.289 11.168 9.848 1.00 0.00 H new ATOM 883 N ASN B 56 5.788 14.865 4.397 1.00 0.00 N ATOM 884 CA ASN B 56 6.090 15.883 3.394 1.00 0.00 C ATOM 885 C ASN B 56 5.142 15.808 2.206 1.00 0.00 C ATOM 886 O ASN B 56 5.352 16.473 1.193 1.00 0.00 O ATOM 887 CB ASN B 56 7.533 15.755 2.892 1.00 0.00 C ATOM 888 CG ASN B 56 8.560 16.302 3.870 1.00 0.00 C ATOM 889 OD1 ASN B 56 9.554 16.904 3.464 1.00 0.00 O ATOM 890 ND2 ASN B 56 8.349 16.073 5.157 1.00 0.00 N ATOM 0 H ASN B 56 6.287 13.985 4.267 1.00 0.00 H new ATOM 0 HA ASN B 56 5.960 16.848 3.884 1.00 0.00 H new ATOM 0 HB2 ASN B 56 7.751 14.705 2.697 1.00 0.00 H new ATOM 0 HB3 ASN B 56 7.628 16.282 1.943 1.00 0.00 H new ATOM 0 HD21 ASN B 56 9.022 16.399 5.850 1.00 0.00 H new ATOM 0 HD22 ASN B 56 7.513 15.570 5.455 1.00 0.00 H new ATOM 897 N SER B 57 4.092 15.016 2.331 1.00 0.00 N ATOM 898 CA SER B 57 3.161 14.845 1.240 1.00 0.00 C ATOM 899 C SER B 57 1.731 14.848 1.747 1.00 0.00 C ATOM 900 O SER B 57 1.253 13.870 2.325 1.00 0.00 O ATOM 901 CB SER B 57 3.443 13.549 0.478 1.00 0.00 C ATOM 902 OG SER B 57 2.651 13.479 -0.694 1.00 0.00 O ATOM 0 H SER B 57 3.867 14.486 3.173 1.00 0.00 H new ATOM 0 HA SER B 57 3.292 15.684 0.557 1.00 0.00 H new ATOM 0 HB2 SER B 57 4.499 13.498 0.214 1.00 0.00 H new ATOM 0 HB3 SER B 57 3.233 12.692 1.117 1.00 0.00 H new ATOM 0 HG SER B 57 3.135 13.890 -1.441 1.00 0.00 H new ATOM 908 N ALA B 58 1.057 15.962 1.543 1.00 0.00 N ATOM 909 CA ALA B 58 -0.350 16.064 1.869 1.00 0.00 C ATOM 910 C ALA B 58 -1.171 15.360 0.799 1.00 0.00 C ATOM 911 O ALA B 58 -2.294 14.917 1.044 1.00 0.00 O ATOM 912 CB ALA B 58 -0.747 17.520 1.991 1.00 0.00 C ATOM 0 H ALA B 58 1.463 16.812 1.152 1.00 0.00 H new ATOM 0 HA ALA B 58 -0.542 15.580 2.827 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -1.807 17.589 2.236 1.00 0.00 H new ATOM 0 HB2 ALA B 58 -0.161 17.992 2.779 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -0.560 18.029 1.045 1.00 0.00 H new ATOM 918 N GLU B 59 -0.577 15.249 -0.386 1.00 0.00 N ATOM 919 CA GLU B 59 -1.198 14.566 -1.510 1.00 0.00 C ATOM 920 C GLU B 59 -1.289 13.074 -1.221 1.00 0.00 C ATOM 921 O GLU B 59 -2.312 12.437 -1.454 1.00 0.00 O ATOM 922 CB GLU B 59 -0.364 14.785 -2.773 1.00 0.00 C ATOM 923 CG GLU B 59 -0.005 16.236 -3.032 1.00 0.00 C ATOM 924 CD GLU B 59 0.925 16.397 -4.217 1.00 0.00 C ATOM 925 OE1 GLU B 59 0.428 16.510 -5.356 1.00 0.00 O ATOM 926 OE2 GLU B 59 2.159 16.417 -4.014 1.00 0.00 O1- ATOM 0 H GLU B 59 0.347 15.630 -0.591 1.00 0.00 H new ATOM 0 HA GLU B 59 -2.200 14.969 -1.660 1.00 0.00 H new ATOM 0 HB2 GLU B 59 0.554 14.203 -2.695 1.00 0.00 H new ATOM 0 HB3 GLU B 59 -0.915 14.399 -3.631 1.00 0.00 H new ATOM 0 HG2 GLU B 59 -0.916 16.807 -3.208 1.00 0.00 H new ATOM 0 HG3 GLU B 59 0.467 16.655 -2.143 1.00 0.00 H new ATOM 933 N LEU B 60 -0.201 12.532 -0.699 1.00 0.00 N ATOM 934 CA LEU B 60 -0.134 11.123 -0.349 1.00 0.00 C ATOM 935 C LEU B 60 -1.080 10.842 0.820 1.00 0.00 C ATOM 936 O LEU B 60 -1.728 9.797 0.880 1.00 0.00 O ATOM 937 CB LEU B 60 1.321 10.766 0.002 1.00 0.00 C ATOM 938 CG LEU B 60 1.690 9.279 0.036 1.00 0.00 C ATOM 939 CD1 LEU B 60 1.195 8.621 1.311 1.00 0.00 C ATOM 940 CD2 LEU B 60 1.142 8.562 -1.186 1.00 0.00 C ATOM 0 H LEU B 60 0.655 13.052 -0.507 1.00 0.00 H new ATOM 0 HA LEU B 60 -0.448 10.504 -1.189 1.00 0.00 H new ATOM 0 HB2 LEU B 60 1.973 11.259 -0.719 1.00 0.00 H new ATOM 0 HB3 LEU B 60 1.547 11.192 0.979 1.00 0.00 H new ATOM 0 HG LEU B 60 2.777 9.203 0.020 1.00 0.00 H new ATOM 0 HD11 LEU B 60 1.471 7.567 1.307 1.00 0.00 H new ATOM 0 HD12 LEU B 60 1.647 9.112 2.173 1.00 0.00 H new ATOM 0 HD13 LEU B 60 0.110 8.712 1.370 1.00 0.00 H new ATOM 0 HD21 LEU B 60 1.415 7.508 -1.142 1.00 0.00 H new ATOM 0 HD22 LEU B 60 0.056 8.655 -1.206 1.00 0.00 H new ATOM 0 HD23 LEU B 60 1.561 9.008 -2.088 1.00 0.00 H new ATOM 952 N GLN B 61 -1.174 11.808 1.727 1.00 0.00 N ATOM 953 CA GLN B 61 -2.021 11.694 2.900 1.00 0.00 C ATOM 954 C GLN B 61 -3.497 11.609 2.517 1.00 0.00 C ATOM 955 O GLN B 61 -4.247 10.818 3.091 1.00 0.00 O ATOM 956 CB GLN B 61 -1.794 12.893 3.828 1.00 0.00 C ATOM 957 CG GLN B 61 -2.683 12.880 5.059 1.00 0.00 C ATOM 958 CD GLN B 61 -2.357 11.738 5.996 1.00 0.00 C ATOM 959 OE1 GLN B 61 -1.607 11.901 6.959 1.00 0.00 O ATOM 960 NE2 GLN B 61 -2.877 10.563 5.688 1.00 0.00 N ATOM 0 H GLN B 61 -0.664 12.690 1.667 1.00 0.00 H new ATOM 0 HA GLN B 61 -1.753 10.774 3.419 1.00 0.00 H new ATOM 0 HB2 GLN B 61 -0.751 12.907 4.143 1.00 0.00 H new ATOM 0 HB3 GLN B 61 -1.971 13.813 3.271 1.00 0.00 H new ATOM 0 HG2 GLN B 61 -2.575 13.825 5.591 1.00 0.00 H new ATOM 0 HG3 GLN B 61 -3.726 12.806 4.750 1.00 0.00 H new ATOM 0 HE21 GLN B 61 -3.494 10.474 4.881 1.00 0.00 H new ATOM 0 HE22 GLN B 61 -2.662 9.745 6.258 1.00 0.00 H new ATOM 969 N GLU B 62 -3.906 12.411 1.541 1.00 0.00 N ATOM 970 CA GLU B 62 -5.316 12.509 1.184 1.00 0.00 C ATOM 971 C GLU B 62 -5.794 11.257 0.454 1.00 0.00 C ATOM 972 O GLU B 62 -6.985 10.949 0.444 1.00 0.00 O ATOM 973 CB GLU B 62 -5.574 13.751 0.326 1.00 0.00 C ATOM 974 CG GLU B 62 -5.054 13.644 -1.095 1.00 0.00 C ATOM 975 CD GLU B 62 -5.416 14.847 -1.934 1.00 0.00 C ATOM 976 OE1 GLU B 62 -4.739 15.887 -1.820 1.00 0.00 O ATOM 977 OE2 GLU B 62 -6.388 14.759 -2.711 1.00 0.00 O1- ATOM 0 H GLU B 62 -3.285 13.000 0.986 1.00 0.00 H new ATOM 0 HA GLU B 62 -5.883 12.598 2.111 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -6.647 13.941 0.295 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -5.111 14.613 0.806 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -3.970 13.532 -1.075 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -5.459 12.745 -1.560 1.00 0.00 H new ATOM 984 N LEU B 63 -4.862 10.531 -0.148 1.00 0.00 N ATOM 985 CA LEU B 63 -5.201 9.318 -0.878 1.00 0.00 C ATOM 986 C LEU B 63 -5.579 8.202 0.086 1.00 0.00 C ATOM 987 O LEU B 63 -6.429 7.372 -0.217 1.00 0.00 O ATOM 988 CB LEU B 63 -4.036 8.894 -1.770 1.00 0.00 C ATOM 989 CG LEU B 63 -3.654 9.912 -2.846 1.00 0.00 C ATOM 990 CD1 LEU B 63 -2.403 9.470 -3.577 1.00 0.00 C ATOM 991 CD2 LEU B 63 -4.797 10.117 -3.829 1.00 0.00 C ATOM 0 H LEU B 63 -3.868 10.760 -0.145 1.00 0.00 H new ATOM 0 HA LEU B 63 -6.063 9.523 -1.513 1.00 0.00 H new ATOM 0 HB2 LEU B 63 -3.165 8.705 -1.142 1.00 0.00 H new ATOM 0 HB3 LEU B 63 -4.291 7.951 -2.254 1.00 0.00 H new ATOM 0 HG LEU B 63 -3.451 10.863 -2.354 1.00 0.00 H new ATOM 0 HD11 LEU B 63 -2.147 10.207 -4.338 1.00 0.00 H new ATOM 0 HD12 LEU B 63 -1.580 9.380 -2.868 1.00 0.00 H new ATOM 0 HD13 LEU B 63 -2.581 8.505 -4.051 1.00 0.00 H new ATOM 0 HD21 LEU B 63 -4.501 10.845 -4.584 1.00 0.00 H new ATOM 0 HD22 LEU B 63 -5.036 9.170 -4.312 1.00 0.00 H new ATOM 0 HD23 LEU B 63 -5.674 10.483 -3.296 1.00 0.00 H new ATOM 1003 N LEU B 64 -4.971 8.212 1.266 1.00 0.00 N ATOM 1004 CA LEU B 64 -5.286 7.237 2.307 1.00 0.00 C ATOM 1005 C LEU B 64 -6.589 7.586 3.023 1.00 0.00 C ATOM 1006 O LEU B 64 -6.858 7.087 4.114 1.00 0.00 O ATOM 1007 CB LEU B 64 -4.144 7.143 3.322 1.00 0.00 C ATOM 1008 CG LEU B 64 -2.975 6.246 2.912 1.00 0.00 C ATOM 1009 CD1 LEU B 64 -1.788 6.467 3.836 1.00 0.00 C ATOM 1010 CD2 LEU B 64 -3.397 4.784 2.931 1.00 0.00 C ATOM 0 H LEU B 64 -4.253 8.888 1.528 1.00 0.00 H new ATOM 0 HA LEU B 64 -5.412 6.269 1.821 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -3.762 8.147 3.508 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -4.548 6.776 4.265 1.00 0.00 H new ATOM 0 HG LEU B 64 -2.677 6.508 1.897 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -0.964 5.821 3.531 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -1.472 7.509 3.780 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -2.075 6.229 4.860 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -2.554 4.158 2.637 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -3.718 4.511 3.936 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -4.221 4.634 2.233 1.00 0.00 H new ATOM 1022 N LYS B 65 -7.389 8.451 2.415 1.00 0.00 N ATOM 1023 CA LYS B 65 -8.668 8.837 2.990 1.00 0.00 C ATOM 1024 C LYS B 65 -9.825 8.162 2.259 1.00 0.00 C ATOM 1025 O LYS B 65 -10.990 8.451 2.530 1.00 0.00 O ATOM 1026 CB LYS B 65 -8.842 10.356 2.943 1.00 0.00 C ATOM 1027 CG LYS B 65 -7.793 11.114 3.740 1.00 0.00 C ATOM 1028 CD LYS B 65 -7.992 12.620 3.649 1.00 0.00 C ATOM 1029 CE LYS B 65 -9.287 13.063 4.313 1.00 0.00 C ATOM 1030 NZ LYS B 65 -9.290 12.790 5.776 1.00 0.00 N1+ ATOM 0 H LYS B 65 -7.174 8.898 1.524 1.00 0.00 H new ATOM 0 HA LYS B 65 -8.677 8.509 4.030 1.00 0.00 H new ATOM 0 HB2 LYS B 65 -8.805 10.685 1.905 1.00 0.00 H new ATOM 0 HB3 LYS B 65 -9.831 10.612 3.324 1.00 0.00 H new ATOM 0 HG2 LYS B 65 -7.836 10.804 4.784 1.00 0.00 H new ATOM 0 HG3 LYS B 65 -6.800 10.856 3.372 1.00 0.00 H new ATOM 0 HD2 LYS B 65 -7.150 13.126 4.121 1.00 0.00 H new ATOM 0 HD3 LYS B 65 -7.999 12.922 2.602 1.00 0.00 H new ATOM 0 HE2 LYS B 65 -9.434 14.130 4.144 1.00 0.00 H new ATOM 0 HE3 LYS B 65 -10.127 12.548 3.847 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 -10.071 13.311 6.225 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 -9.415 11.770 5.939 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 -8.386 13.098 6.188 1.00 0.00 H new ATOM 1044 N TYR B 66 -9.507 7.268 1.327 1.00 0.00 N ATOM 1045 CA TYR B 66 -10.536 6.543 0.601 1.00 0.00 C ATOM 1046 C TYR B 66 -10.518 5.078 1.013 1.00 0.00 C ATOM 1047 O TYR B 66 -9.539 4.373 0.775 1.00 0.00 O ATOM 1048 CB TYR B 66 -10.308 6.667 -0.907 1.00 0.00 C ATOM 1049 CG TYR B 66 -10.220 8.097 -1.400 1.00 0.00 C ATOM 1050 CD1 TYR B 66 -11.365 8.858 -1.589 1.00 0.00 C ATOM 1051 CD2 TYR B 66 -8.990 8.682 -1.676 1.00 0.00 C ATOM 1052 CE1 TYR B 66 -11.287 10.163 -2.041 1.00 0.00 C ATOM 1053 CE2 TYR B 66 -8.904 9.985 -2.127 1.00 0.00 C ATOM 1054 CZ TYR B 66 -10.055 10.720 -2.308 1.00 0.00 C ATOM 1055 OH TYR B 66 -9.975 12.019 -2.759 1.00 0.00 O ATOM 0 H TYR B 66 -8.551 7.032 1.061 1.00 0.00 H new ATOM 0 HA TYR B 66 -11.509 6.971 0.842 1.00 0.00 H new ATOM 0 HB2 TYR B 66 -9.387 6.146 -1.169 1.00 0.00 H new ATOM 0 HB3 TYR B 66 -11.120 6.162 -1.430 1.00 0.00 H new ATOM 0 HD1 TYR B 66 -12.332 8.425 -1.380 1.00 0.00 H new ATOM 0 HD2 TYR B 66 -8.086 8.108 -1.536 1.00 0.00 H new ATOM 0 HE1 TYR B 66 -12.187 10.743 -2.184 1.00 0.00 H new ATOM 0 HE2 TYR B 66 -7.940 10.425 -2.336 1.00 0.00 H new ATOM 0 HH TYR B 66 -9.035 12.260 -2.898 1.00 0.00 H new ATOM 1065 N ASN B 67 -11.598 4.623 1.638 1.00 0.00 N ATOM 1066 CA ASN B 67 -11.682 3.244 2.124 1.00 0.00 C ATOM 1067 C ASN B 67 -11.523 2.241 0.991 1.00 0.00 C ATOM 1068 O ASN B 67 -11.031 1.137 1.199 1.00 0.00 O ATOM 1069 CB ASN B 67 -13.004 2.991 2.851 1.00 0.00 C ATOM 1070 CG ASN B 67 -13.010 3.533 4.267 1.00 0.00 C ATOM 1071 OD1 ASN B 67 -11.963 3.646 4.904 1.00 0.00 O ATOM 1072 ND2 ASN B 67 -14.189 3.850 4.775 1.00 0.00 N ATOM 0 H ASN B 67 -12.429 5.186 1.822 1.00 0.00 H new ATOM 0 HA ASN B 67 -10.861 3.107 2.827 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -13.817 3.450 2.288 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -13.200 1.919 2.876 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -14.255 4.203 5.730 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -15.033 3.741 4.212 1.00 0.00 H new ATOM 1079 N THR B 68 -11.937 2.636 -0.203 1.00 0.00 N ATOM 1080 CA THR B 68 -11.783 1.810 -1.393 1.00 0.00 C ATOM 1081 C THR B 68 -10.313 1.494 -1.660 1.00 0.00 C ATOM 1082 O THR B 68 -9.949 0.360 -1.992 1.00 0.00 O ATOM 1083 CB THR B 68 -12.383 2.533 -2.619 1.00 0.00 C ATOM 1084 OG1 THR B 68 -13.797 2.693 -2.444 1.00 0.00 O ATOM 1085 CG2 THR B 68 -12.099 1.786 -3.915 1.00 0.00 C ATOM 0 H THR B 68 -12.388 3.535 -0.375 1.00 0.00 H new ATOM 0 HA THR B 68 -12.313 0.873 -1.221 1.00 0.00 H new ATOM 0 HB THR B 68 -11.908 3.511 -2.694 1.00 0.00 H new ATOM 0 HG1 THR B 68 -14.173 3.153 -3.223 1.00 0.00 H new ATOM 0 HG21 THR B 68 -12.539 2.329 -4.752 1.00 0.00 H new ATOM 0 HG22 THR B 68 -11.022 1.706 -4.060 1.00 0.00 H new ATOM 0 HG23 THR B 68 -12.533 0.788 -3.862 1.00 0.00 H new ATOM 1093 N VAL B 69 -9.467 2.494 -1.485 1.00 0.00 N ATOM 1094 CA VAL B 69 -8.061 2.361 -1.810 1.00 0.00 C ATOM 1095 C VAL B 69 -7.322 1.673 -0.665 1.00 0.00 C ATOM 1096 O VAL B 69 -6.452 0.830 -0.888 1.00 0.00 O ATOM 1097 CB VAL B 69 -7.436 3.741 -2.141 1.00 0.00 C ATOM 1098 CG1 VAL B 69 -8.375 4.531 -3.033 1.00 0.00 C ATOM 1099 CG2 VAL B 69 -7.082 4.536 -0.899 1.00 0.00 C ATOM 0 H VAL B 69 -9.732 3.408 -1.119 1.00 0.00 H new ATOM 0 HA VAL B 69 -7.964 1.740 -2.700 1.00 0.00 H new ATOM 0 HB VAL B 69 -6.500 3.557 -2.668 1.00 0.00 H new ATOM 0 HG11 VAL B 69 -7.930 5.500 -3.262 1.00 0.00 H new ATOM 0 HG12 VAL B 69 -8.545 3.982 -3.959 1.00 0.00 H new ATOM 0 HG13 VAL B 69 -9.325 4.680 -2.520 1.00 0.00 H new ATOM 0 HG21 VAL B 69 -6.648 5.493 -1.191 1.00 0.00 H new ATOM 0 HG22 VAL B 69 -7.982 4.710 -0.310 1.00 0.00 H new ATOM 0 HG23 VAL B 69 -6.360 3.977 -0.303 1.00 0.00 H new ATOM 1109 N LYS B 70 -7.716 2.006 0.560 1.00 0.00 N ATOM 1110 CA LYS B 70 -7.139 1.391 1.751 1.00 0.00 C ATOM 1111 C LYS B 70 -7.495 -0.090 1.808 1.00 0.00 C ATOM 1112 O LYS B 70 -6.708 -0.906 2.278 1.00 0.00 O ATOM 1113 CB LYS B 70 -7.640 2.096 3.015 1.00 0.00 C ATOM 1114 CG LYS B 70 -7.413 3.598 2.996 1.00 0.00 C ATOM 1115 CD LYS B 70 -7.920 4.271 4.262 1.00 0.00 C ATOM 1116 CE LYS B 70 -7.029 3.972 5.458 1.00 0.00 C ATOM 1117 NZ LYS B 70 -7.348 4.845 6.618 1.00 0.00 N1+ ATOM 0 H LYS B 70 -8.436 2.702 0.755 1.00 0.00 H new ATOM 0 HA LYS B 70 -6.055 1.493 1.698 1.00 0.00 H new ATOM 0 HB2 LYS B 70 -8.705 1.898 3.135 1.00 0.00 H new ATOM 0 HB3 LYS B 70 -7.137 1.671 3.883 1.00 0.00 H new ATOM 0 HG2 LYS B 70 -6.349 3.802 2.880 1.00 0.00 H new ATOM 0 HG3 LYS B 70 -7.916 4.029 2.131 1.00 0.00 H new ATOM 0 HD2 LYS B 70 -7.969 5.349 4.106 1.00 0.00 H new ATOM 0 HD3 LYS B 70 -8.935 3.933 4.472 1.00 0.00 H new ATOM 0 HE2 LYS B 70 -7.147 2.927 5.746 1.00 0.00 H new ATOM 0 HE3 LYS B 70 -5.985 4.109 5.176 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 -6.475 5.287 6.971 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 -8.016 5.586 6.322 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 -7.777 4.274 7.374 1.00 0.00 H new ATOM 1131 N PHE B 71 -8.683 -0.419 1.313 1.00 0.00 N ATOM 1132 CA PHE B 71 -9.148 -1.801 1.254 1.00 0.00 C ATOM 1133 C PHE B 71 -8.160 -2.674 0.489 1.00 0.00 C ATOM 1134 O PHE B 71 -7.784 -3.756 0.938 1.00 0.00 O ATOM 1135 CB PHE B 71 -10.526 -1.851 0.585 1.00 0.00 C ATOM 1136 CG PHE B 71 -10.949 -3.220 0.136 1.00 0.00 C ATOM 1137 CD1 PHE B 71 -11.402 -4.160 1.045 1.00 0.00 C ATOM 1138 CD2 PHE B 71 -10.892 -3.565 -1.205 1.00 0.00 C ATOM 1139 CE1 PHE B 71 -11.791 -5.417 0.627 1.00 0.00 C ATOM 1140 CE2 PHE B 71 -11.277 -4.818 -1.630 1.00 0.00 C ATOM 1141 CZ PHE B 71 -11.728 -5.747 -0.712 1.00 0.00 C ATOM 0 H PHE B 71 -9.348 0.260 0.943 1.00 0.00 H new ATOM 0 HA PHE B 71 -9.225 -2.188 2.270 1.00 0.00 H new ATOM 0 HB2 PHE B 71 -11.269 -1.465 1.283 1.00 0.00 H new ATOM 0 HB3 PHE B 71 -10.522 -1.184 -0.277 1.00 0.00 H new ATOM 0 HD1 PHE B 71 -11.452 -3.907 2.094 1.00 0.00 H new ATOM 0 HD2 PHE B 71 -10.541 -2.842 -1.927 1.00 0.00 H new ATOM 0 HE1 PHE B 71 -12.144 -6.141 1.346 1.00 0.00 H new ATOM 0 HE2 PHE B 71 -11.226 -5.073 -2.678 1.00 0.00 H new ATOM 0 HZ PHE B 71 -12.031 -6.730 -1.042 1.00 0.00 H new ATOM 1151 N HIS B 72 -7.736 -2.184 -0.665 1.00 0.00 N ATOM 1152 CA HIS B 72 -6.834 -2.931 -1.527 1.00 0.00 C ATOM 1153 C HIS B 72 -5.420 -2.952 -0.959 1.00 0.00 C ATOM 1154 O HIS B 72 -4.733 -3.971 -1.024 1.00 0.00 O ATOM 1155 CB HIS B 72 -6.840 -2.338 -2.935 1.00 0.00 C ATOM 1156 CG HIS B 72 -8.104 -2.616 -3.692 1.00 0.00 C ATOM 1157 ND1 HIS B 72 -9.106 -1.682 -3.869 1.00 0.00 N ATOM 1158 CD2 HIS B 72 -8.528 -3.737 -4.320 1.00 0.00 C ATOM 1159 CE1 HIS B 72 -10.087 -2.222 -4.568 1.00 0.00 C ATOM 1160 NE2 HIS B 72 -9.760 -3.464 -4.854 1.00 0.00 N ATOM 0 H HIS B 72 -8.003 -1.269 -1.027 1.00 0.00 H new ATOM 0 HA HIS B 72 -7.186 -3.961 -1.578 1.00 0.00 H new ATOM 0 HB2 HIS B 72 -6.695 -1.260 -2.868 1.00 0.00 H new ATOM 0 HB3 HIS B 72 -5.995 -2.739 -3.494 1.00 0.00 H new ATOM 0 HD1 HIS B 72 -9.090 -0.725 -3.515 1.00 0.00 H new ATOM 0 HD2 HIS B 72 -7.994 -4.673 -4.388 1.00 0.00 H new ATOM 0 HE1 HIS B 72 -11.003 -1.728 -4.856 1.00 0.00 H new ATOM 1169 N LEU B 73 -5.001 -1.830 -0.389 1.00 0.00 N ATOM 1170 CA LEU B 73 -3.676 -1.724 0.212 1.00 0.00 C ATOM 1171 C LEU B 73 -3.551 -2.645 1.426 1.00 0.00 C ATOM 1172 O LEU B 73 -2.502 -3.239 1.664 1.00 0.00 O ATOM 1173 CB LEU B 73 -3.393 -0.278 0.626 1.00 0.00 C ATOM 1174 CG LEU B 73 -3.236 0.723 -0.519 1.00 0.00 C ATOM 1175 CD1 LEU B 73 -3.017 2.125 0.032 1.00 0.00 C ATOM 1176 CD2 LEU B 73 -2.084 0.324 -1.430 1.00 0.00 C ATOM 0 H LEU B 73 -5.560 -0.979 -0.330 1.00 0.00 H new ATOM 0 HA LEU B 73 -2.943 -2.032 -0.533 1.00 0.00 H new ATOM 0 HB2 LEU B 73 -4.204 0.061 1.271 1.00 0.00 H new ATOM 0 HB3 LEU B 73 -2.482 -0.263 1.224 1.00 0.00 H new ATOM 0 HG LEU B 73 -4.153 0.718 -1.108 1.00 0.00 H new ATOM 0 HD11 LEU B 73 -2.907 2.827 -0.794 1.00 0.00 H new ATOM 0 HD12 LEU B 73 -3.873 2.414 0.642 1.00 0.00 H new ATOM 0 HD13 LEU B 73 -2.114 2.139 0.643 1.00 0.00 H new ATOM 0 HD21 LEU B 73 -1.991 1.050 -2.238 1.00 0.00 H new ATOM 0 HD22 LEU B 73 -1.158 0.299 -0.856 1.00 0.00 H new ATOM 0 HD23 LEU B 73 -2.277 -0.663 -1.850 1.00 0.00 H new ATOM 1188 N ALA B 74 -4.631 -2.774 2.182 1.00 0.00 N ATOM 1189 CA ALA B 74 -4.633 -3.611 3.374 1.00 0.00 C ATOM 1190 C ALA B 74 -4.488 -5.084 3.020 1.00 0.00 C ATOM 1191 O ALA B 74 -4.031 -5.886 3.838 1.00 0.00 O ATOM 1192 CB ALA B 74 -5.900 -3.386 4.174 1.00 0.00 C ATOM 0 H ALA B 74 -5.519 -2.309 1.991 1.00 0.00 H new ATOM 0 HA ALA B 74 -3.774 -3.327 3.982 1.00 0.00 H new ATOM 0 HB1 ALA B 74 -5.887 -4.018 5.062 1.00 0.00 H new ATOM 0 HB2 ALA B 74 -5.960 -2.340 4.475 1.00 0.00 H new ATOM 0 HB3 ALA B 74 -6.766 -3.638 3.562 1.00 0.00 H new ATOM 1198 N LYS B 75 -4.867 -5.438 1.799 1.00 0.00 N ATOM 1199 CA LYS B 75 -4.782 -6.819 1.356 1.00 0.00 C ATOM 1200 C LYS B 75 -3.335 -7.234 1.128 1.00 0.00 C ATOM 1201 O LYS B 75 -2.984 -8.398 1.323 1.00 0.00 O ATOM 1202 CB LYS B 75 -5.600 -7.044 0.084 1.00 0.00 C ATOM 1203 CG LYS B 75 -7.091 -6.814 0.270 1.00 0.00 C ATOM 1204 CD LYS B 75 -7.896 -7.369 -0.895 1.00 0.00 C ATOM 1205 CE LYS B 75 -7.767 -8.883 -0.985 1.00 0.00 C ATOM 1206 NZ LYS B 75 -8.675 -9.470 -2.003 1.00 0.00 N1+ ATOM 0 H LYS B 75 -5.234 -4.790 1.102 1.00 0.00 H new ATOM 0 HA LYS B 75 -5.200 -7.440 2.148 1.00 0.00 H new ATOM 0 HB2 LYS B 75 -5.233 -6.378 -0.697 1.00 0.00 H new ATOM 0 HB3 LYS B 75 -5.439 -8.064 -0.266 1.00 0.00 H new ATOM 0 HG2 LYS B 75 -7.419 -7.286 1.196 1.00 0.00 H new ATOM 0 HG3 LYS B 75 -7.285 -5.746 0.370 1.00 0.00 H new ATOM 0 HD2 LYS B 75 -8.945 -7.098 -0.777 1.00 0.00 H new ATOM 0 HD3 LYS B 75 -7.553 -6.917 -1.825 1.00 0.00 H new ATOM 0 HE2 LYS B 75 -6.737 -9.143 -1.228 1.00 0.00 H new ATOM 0 HE3 LYS B 75 -7.985 -9.322 -0.011 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 -8.550 -10.502 -2.026 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 -9.661 -9.246 -1.759 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 -8.451 -9.073 -2.938 1.00 0.00 H new ATOM 1220 N VAL B 76 -2.489 -6.288 0.734 1.00 0.00 N ATOM 1221 CA VAL B 76 -1.089 -6.605 0.496 1.00 0.00 C ATOM 1222 C VAL B 76 -0.334 -6.670 1.819 1.00 0.00 C ATOM 1223 O VAL B 76 0.623 -7.425 1.957 1.00 0.00 O ATOM 1224 CB VAL B 76 -0.397 -5.610 -0.470 1.00 0.00 C ATOM 1225 CG1 VAL B 76 -1.241 -5.407 -1.717 1.00 0.00 C ATOM 1226 CG2 VAL B 76 -0.097 -4.277 0.198 1.00 0.00 C ATOM 0 H VAL B 76 -2.743 -5.313 0.575 1.00 0.00 H new ATOM 0 HA VAL B 76 -1.065 -7.580 0.009 1.00 0.00 H new ATOM 0 HB VAL B 76 0.559 -6.047 -0.757 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -0.741 -4.706 -2.385 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -1.373 -6.362 -2.226 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -2.216 -5.008 -1.436 1.00 0.00 H new ATOM 0 HG21 VAL B 76 0.388 -3.612 -0.517 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -1.027 -3.824 0.541 1.00 0.00 H new ATOM 0 HG23 VAL B 76 0.564 -4.437 1.050 1.00 0.00 H new ATOM 1236 N TYR B 77 -0.794 -5.901 2.804 1.00 0.00 N ATOM 1237 CA TYR B 77 -0.206 -5.932 4.139 1.00 0.00 C ATOM 1238 C TYR B 77 -0.336 -7.332 4.737 1.00 0.00 C ATOM 1239 O TYR B 77 0.537 -7.793 5.480 1.00 0.00 O ATOM 1240 CB TYR B 77 -0.879 -4.886 5.039 1.00 0.00 C ATOM 1241 CG TYR B 77 -0.403 -4.907 6.476 1.00 0.00 C ATOM 1242 CD1 TYR B 77 0.953 -4.916 6.782 1.00 0.00 C ATOM 1243 CD2 TYR B 77 -1.311 -4.917 7.526 1.00 0.00 C ATOM 1244 CE1 TYR B 77 1.388 -4.941 8.095 1.00 0.00 C ATOM 1245 CE2 TYR B 77 -0.884 -4.938 8.840 1.00 0.00 C ATOM 1246 CZ TYR B 77 0.467 -4.951 9.120 1.00 0.00 C ATOM 1247 OH TYR B 77 0.894 -4.983 10.430 1.00 0.00 O ATOM 0 H TYR B 77 -1.572 -5.249 2.701 1.00 0.00 H new ATOM 0 HA TYR B 77 0.854 -5.688 4.067 1.00 0.00 H new ATOM 0 HB2 TYR B 77 -0.699 -3.895 4.623 1.00 0.00 H new ATOM 0 HB3 TYR B 77 -1.957 -5.048 5.022 1.00 0.00 H new ATOM 0 HD1 TYR B 77 1.678 -4.903 5.982 1.00 0.00 H new ATOM 0 HD2 TYR B 77 -2.370 -4.908 7.312 1.00 0.00 H new ATOM 0 HE1 TYR B 77 2.445 -4.953 8.316 1.00 0.00 H new ATOM 0 HE2 TYR B 77 -1.605 -4.944 9.644 1.00 0.00 H new ATOM 0 HH TYR B 77 1.730 -4.479 10.514 1.00 0.00 H new ATOM 1257 N ARG B 78 -1.424 -8.006 4.384 1.00 0.00 N ATOM 1258 CA ARG B 78 -1.638 -9.393 4.779 1.00 0.00 C ATOM 1259 C ARG B 78 -0.546 -10.277 4.193 1.00 0.00 C ATOM 1260 O ARG B 78 -0.050 -11.198 4.843 1.00 0.00 O ATOM 1261 CB ARG B 78 -3.002 -9.874 4.295 1.00 0.00 C ATOM 1262 CG ARG B 78 -4.143 -8.985 4.738 1.00 0.00 C ATOM 1263 CD ARG B 78 -5.480 -9.537 4.290 1.00 0.00 C ATOM 1264 NE ARG B 78 -6.576 -8.609 4.567 1.00 0.00 N ATOM 1265 CZ ARG B 78 -7.695 -8.535 3.848 1.00 0.00 C ATOM 1266 NH1 ARG B 78 -7.893 -9.354 2.822 1.00 0.00 N1+ ATOM 1267 NH2 ARG B 78 -8.622 -7.644 4.163 1.00 0.00 N ATOM 0 H ARG B 78 -2.177 -7.611 3.821 1.00 0.00 H new ATOM 0 HA ARG B 78 -1.604 -9.455 5.867 1.00 0.00 H new ATOM 0 HB2 ARG B 78 -2.995 -9.928 3.206 1.00 0.00 H new ATOM 0 HB3 ARG B 78 -3.174 -10.885 4.664 1.00 0.00 H new ATOM 0 HG2 ARG B 78 -4.132 -8.891 5.824 1.00 0.00 H new ATOM 0 HG3 ARG B 78 -4.006 -7.984 4.330 1.00 0.00 H new ATOM 0 HD2 ARG B 78 -5.445 -9.748 3.221 1.00 0.00 H new ATOM 0 HD3 ARG B 78 -5.670 -10.484 4.796 1.00 0.00 H new ATOM 0 HE ARG B 78 -6.477 -7.978 5.362 1.00 0.00 H new ATOM 0 HH11 ARG B 78 -7.185 -10.047 2.579 1.00 0.00 H new ATOM 0 HH12 ARG B 78 -8.753 -9.290 2.277 1.00 0.00 H new ATOM 0 HH21 ARG B 78 -8.478 -7.017 4.954 1.00 0.00 H new ATOM 0 HH22 ARG B 78 -9.480 -7.585 3.614 1.00 0.00 H new ATOM 1281 N ILE B 79 -0.165 -9.959 2.963 1.00 0.00 N ATOM 1282 CA ILE B 79 0.852 -10.709 2.235 1.00 0.00 C ATOM 1283 C ILE B 79 2.226 -10.548 2.878 1.00 0.00 C ATOM 1284 O ILE B 79 2.905 -11.535 3.143 1.00 0.00 O ATOM 1285 CB ILE B 79 0.927 -10.261 0.760 1.00 0.00 C ATOM 1286 CG1 ILE B 79 -0.435 -10.427 0.084 1.00 0.00 C ATOM 1287 CG2 ILE B 79 1.994 -11.049 0.014 1.00 0.00 C ATOM 1288 CD1 ILE B 79 -0.468 -9.921 -1.341 1.00 0.00 C ATOM 0 H ILE B 79 -0.552 -9.173 2.441 1.00 0.00 H new ATOM 0 HA ILE B 79 0.561 -11.759 2.275 1.00 0.00 H new ATOM 0 HB ILE B 79 1.201 -9.206 0.733 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -0.710 -11.482 0.093 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -1.188 -9.897 0.667 1.00 0.00 H new ATOM 0 HG21 ILE B 79 2.031 -10.718 -1.024 1.00 0.00 H new ATOM 0 HG22 ILE B 79 2.964 -10.882 0.483 1.00 0.00 H new ATOM 0 HG23 ILE B 79 1.752 -12.111 0.048 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -1.464 -10.071 -1.757 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -0.225 -8.859 -1.356 1.00 0.00 H new ATOM 0 HD13 ILE B 79 0.261 -10.469 -1.938 1.00 0.00 H new ATOM 1300 N LEU B 80 2.625 -9.304 3.140 1.00 0.00 N ATOM 1301 CA LEU B 80 3.939 -9.038 3.732 1.00 0.00 C ATOM 1302 C LEU B 80 4.040 -9.623 5.137 1.00 0.00 C ATOM 1303 O LEU B 80 5.138 -9.837 5.649 1.00 0.00 O ATOM 1304 CB LEU B 80 4.262 -7.536 3.772 1.00 0.00 C ATOM 1305 CG LEU B 80 4.626 -6.881 2.430 1.00 0.00 C ATOM 1306 CD1 LEU B 80 5.517 -7.790 1.596 1.00 0.00 C ATOM 1307 CD2 LEU B 80 3.379 -6.485 1.662 1.00 0.00 C ATOM 0 H LEU B 80 2.066 -8.471 2.955 1.00 0.00 H new ATOM 0 HA LEU B 80 4.672 -9.526 3.090 1.00 0.00 H new ATOM 0 HB2 LEU B 80 3.401 -7.012 4.186 1.00 0.00 H new ATOM 0 HB3 LEU B 80 5.091 -7.383 4.463 1.00 0.00 H new ATOM 0 HG LEU B 80 5.189 -5.973 2.646 1.00 0.00 H new ATOM 0 HD11 LEU B 80 5.757 -7.299 0.653 1.00 0.00 H new ATOM 0 HD12 LEU B 80 6.437 -7.998 2.142 1.00 0.00 H new ATOM 0 HD13 LEU B 80 4.996 -8.726 1.395 1.00 0.00 H new ATOM 0 HD21 LEU B 80 3.665 -6.024 0.717 1.00 0.00 H new ATOM 0 HD22 LEU B 80 2.776 -7.371 1.466 1.00 0.00 H new ATOM 0 HD23 LEU B 80 2.799 -5.775 2.251 1.00 0.00 H new ATOM 1319 N SER B 81 2.899 -9.878 5.761 1.00 0.00 N ATOM 1320 CA SER B 81 2.886 -10.539 7.050 1.00 0.00 C ATOM 1321 C SER B 81 3.025 -12.042 6.847 1.00 0.00 C ATOM 1322 O SER B 81 3.898 -12.681 7.440 1.00 0.00 O ATOM 1323 CB SER B 81 1.588 -10.222 7.796 1.00 0.00 C ATOM 1324 OG SER B 81 1.405 -8.820 7.939 1.00 0.00 O ATOM 0 H SER B 81 1.978 -9.638 5.395 1.00 0.00 H new ATOM 0 HA SER B 81 3.722 -10.177 7.649 1.00 0.00 H new ATOM 0 HB2 SER B 81 0.742 -10.648 7.256 1.00 0.00 H new ATOM 0 HB3 SER B 81 1.607 -10.691 8.780 1.00 0.00 H new ATOM 0 HG SER B 81 1.102 -8.441 7.087 1.00 0.00 H new ATOM 1509 N LEU B 96 9.914 -13.435 -1.149 1.00 0.00 N ATOM 1510 CA LEU B 96 8.885 -14.052 -1.942 1.00 0.00 C ATOM 1511 C LEU B 96 7.577 -13.288 -1.761 1.00 0.00 C ATOM 1512 O LEU B 96 6.832 -13.063 -2.715 1.00 0.00 O ATOM 1513 CB LEU B 96 8.771 -15.508 -1.489 1.00 0.00 C ATOM 1514 CG LEU B 96 7.371 -16.090 -1.412 1.00 0.00 C ATOM 1515 CD1 LEU B 96 6.840 -16.376 -2.802 1.00 0.00 C ATOM 1516 CD2 LEU B 96 7.394 -17.342 -0.562 1.00 0.00 C ATOM 0 HA LEU B 96 9.123 -14.027 -3.005 1.00 0.00 H new ATOM 0 HB2 LEU B 96 9.358 -16.123 -2.170 1.00 0.00 H new ATOM 0 HB3 LEU B 96 9.230 -15.595 -0.504 1.00 0.00 H new ATOM 0 HG LEU B 96 6.700 -15.367 -0.948 1.00 0.00 H new ATOM 0 HD11 LEU B 96 5.835 -16.793 -2.729 1.00 0.00 H new ATOM 0 HD12 LEU B 96 6.808 -15.450 -3.377 1.00 0.00 H new ATOM 0 HD13 LEU B 96 7.494 -17.091 -3.301 1.00 0.00 H new ATOM 0 HD21 LEU B 96 6.390 -17.762 -0.505 1.00 0.00 H new ATOM 0 HD22 LEU B 96 8.068 -18.073 -1.009 1.00 0.00 H new ATOM 0 HD23 LEU B 96 7.741 -17.094 0.441 1.00 0.00 H new ATOM 1528 N GLN B 97 7.320 -12.864 -0.528 1.00 0.00 N ATOM 1529 CA GLN B 97 6.134 -12.076 -0.222 1.00 0.00 C ATOM 1530 C GLN B 97 6.197 -10.730 -0.930 1.00 0.00 C ATOM 1531 O GLN B 97 5.165 -10.158 -1.275 1.00 0.00 O ATOM 1532 CB GLN B 97 5.984 -11.871 1.293 1.00 0.00 C ATOM 1533 CG GLN B 97 5.922 -13.166 2.096 1.00 0.00 C ATOM 1534 CD GLN B 97 4.571 -13.868 2.047 1.00 0.00 C ATOM 1535 OE1 GLN B 97 4.201 -14.590 2.974 1.00 0.00 O ATOM 1536 NE2 GLN B 97 3.809 -13.650 0.991 1.00 0.00 N ATOM 0 H GLN B 97 7.919 -13.054 0.276 1.00 0.00 H new ATOM 0 HA GLN B 97 5.262 -12.624 -0.580 1.00 0.00 H new ATOM 0 HB2 GLN B 97 6.822 -11.274 1.652 1.00 0.00 H new ATOM 0 HB3 GLN B 97 5.078 -11.295 1.482 1.00 0.00 H new ATOM 0 HG2 GLN B 97 6.687 -13.848 1.724 1.00 0.00 H new ATOM 0 HG3 GLN B 97 6.168 -12.948 3.135 1.00 0.00 H new ATOM 0 HE21 GLN B 97 4.141 -13.047 0.238 1.00 0.00 H new ATOM 0 HE22 GLN B 97 2.888 -14.084 0.928 1.00 0.00 H new ATOM 1545 N LYS B 98 7.414 -10.235 -1.145 1.00 0.00 N ATOM 1546 CA LYS B 98 7.628 -9.014 -1.917 1.00 0.00 C ATOM 1547 C LYS B 98 6.952 -9.123 -3.276 1.00 0.00 C ATOM 1548 O LYS B 98 6.134 -8.282 -3.640 1.00 0.00 O ATOM 1549 CB LYS B 98 9.128 -8.751 -2.102 1.00 0.00 C ATOM 1550 CG LYS B 98 9.673 -7.581 -1.289 1.00 0.00 C ATOM 1551 CD LYS B 98 9.421 -7.749 0.201 1.00 0.00 C ATOM 1552 CE LYS B 98 10.121 -6.668 1.013 1.00 0.00 C ATOM 1553 NZ LYS B 98 9.753 -5.298 0.559 1.00 0.00 N1+ ATOM 0 H LYS B 98 8.270 -10.663 -0.793 1.00 0.00 H new ATOM 0 HA LYS B 98 7.190 -8.181 -1.368 1.00 0.00 H new ATOM 0 HB2 LYS B 98 9.678 -9.652 -1.830 1.00 0.00 H new ATOM 0 HB3 LYS B 98 9.323 -8.565 -3.158 1.00 0.00 H new ATOM 0 HG2 LYS B 98 10.744 -7.486 -1.466 1.00 0.00 H new ATOM 0 HG3 LYS B 98 9.210 -6.656 -1.632 1.00 0.00 H new ATOM 0 HD2 LYS B 98 8.349 -7.714 0.396 1.00 0.00 H new ATOM 0 HD3 LYS B 98 9.771 -8.730 0.522 1.00 0.00 H new ATOM 0 HE2 LYS B 98 9.863 -6.782 2.066 1.00 0.00 H new ATOM 0 HE3 LYS B 98 11.200 -6.798 0.934 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 9.881 -4.626 1.343 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 10.362 -5.021 -0.238 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 8.759 -5.289 0.254 1.00 0.00 H new ATOM 1567 N GLU B 99 7.282 -10.179 -4.001 1.00 0.00 N ATOM 1568 CA GLU B 99 6.720 -10.416 -5.323 1.00 0.00 C ATOM 1569 C GLU B 99 5.198 -10.499 -5.280 1.00 0.00 C ATOM 1570 O GLU B 99 4.515 -9.819 -6.042 1.00 0.00 O ATOM 1571 CB GLU B 99 7.294 -11.701 -5.906 1.00 0.00 C ATOM 1572 CG GLU B 99 8.695 -11.532 -6.460 1.00 0.00 C ATOM 1573 CD GLU B 99 9.297 -12.836 -6.936 1.00 0.00 C ATOM 1574 OE1 GLU B 99 8.978 -13.268 -8.065 1.00 0.00 O1- ATOM 1575 OE2 GLU B 99 10.102 -13.431 -6.189 1.00 0.00 O ATOM 0 H GLU B 99 7.943 -10.893 -3.694 1.00 0.00 H new ATOM 0 HA GLU B 99 6.990 -9.572 -5.958 1.00 0.00 H new ATOM 0 HB2 GLU B 99 7.306 -12.469 -5.133 1.00 0.00 H new ATOM 0 HB3 GLU B 99 6.637 -12.058 -6.699 1.00 0.00 H new ATOM 0 HG2 GLU B 99 8.670 -10.824 -7.289 1.00 0.00 H new ATOM 0 HG3 GLU B 99 9.336 -11.100 -5.691 1.00 0.00 H new ATOM 1582 N LEU B 100 4.671 -11.324 -4.385 1.00 0.00 N ATOM 1583 CA LEU B 100 3.225 -11.512 -4.278 1.00 0.00 C ATOM 1584 C LEU B 100 2.520 -10.206 -3.936 1.00 0.00 C ATOM 1585 O LEU B 100 1.438 -9.926 -4.449 1.00 0.00 O ATOM 1586 CB LEU B 100 2.884 -12.580 -3.236 1.00 0.00 C ATOM 1587 CG LEU B 100 2.882 -14.026 -3.746 1.00 0.00 C ATOM 1588 CD1 LEU B 100 1.836 -14.203 -4.836 1.00 0.00 C ATOM 1589 CD2 LEU B 100 4.256 -14.425 -4.258 1.00 0.00 C ATOM 0 H LEU B 100 5.219 -11.874 -3.723 1.00 0.00 H new ATOM 0 HA LEU B 100 2.870 -11.849 -5.252 1.00 0.00 H new ATOM 0 HB2 LEU B 100 3.599 -12.504 -2.416 1.00 0.00 H new ATOM 0 HB3 LEU B 100 1.900 -12.358 -2.823 1.00 0.00 H new ATOM 0 HG LEU B 100 2.630 -14.679 -2.911 1.00 0.00 H new ATOM 0 HD11 LEU B 100 1.848 -15.235 -5.187 1.00 0.00 H new ATOM 0 HD12 LEU B 100 0.850 -13.967 -4.436 1.00 0.00 H new ATOM 0 HD13 LEU B 100 2.060 -13.534 -5.667 1.00 0.00 H new ATOM 0 HD21 LEU B 100 4.227 -15.455 -4.614 1.00 0.00 H new ATOM 0 HD22 LEU B 100 4.544 -13.766 -5.077 1.00 0.00 H new ATOM 0 HD23 LEU B 100 4.984 -14.340 -3.451 1.00 0.00 H new ATOM 1601 N ALA B 101 3.143 -9.410 -3.080 1.00 0.00 N ATOM 1602 CA ALA B 101 2.588 -8.122 -2.709 1.00 0.00 C ATOM 1603 C ALA B 101 2.528 -7.200 -3.924 1.00 0.00 C ATOM 1604 O ALA B 101 1.495 -6.591 -4.198 1.00 0.00 O ATOM 1605 CB ALA B 101 3.403 -7.497 -1.585 1.00 0.00 C ATOM 0 H ALA B 101 4.031 -9.635 -2.631 1.00 0.00 H new ATOM 0 HA ALA B 101 1.571 -8.269 -2.346 1.00 0.00 H new ATOM 0 HB1 ALA B 101 2.974 -6.531 -1.318 1.00 0.00 H new ATOM 0 HB2 ALA B 101 3.387 -8.154 -0.715 1.00 0.00 H new ATOM 0 HB3 ALA B 101 4.432 -7.358 -1.916 1.00 0.00 H new ATOM 1611 N VAL B 102 3.630 -7.135 -4.672 1.00 0.00 N ATOM 1612 CA VAL B 102 3.696 -6.310 -5.878 1.00 0.00 C ATOM 1613 C VAL B 102 2.671 -6.773 -6.911 1.00 0.00 C ATOM 1614 O VAL B 102 2.054 -5.957 -7.602 1.00 0.00 O ATOM 1615 CB VAL B 102 5.105 -6.341 -6.518 1.00 0.00 C ATOM 1616 CG1 VAL B 102 5.149 -5.499 -7.785 1.00 0.00 C ATOM 1617 CG2 VAL B 102 6.155 -5.865 -5.529 1.00 0.00 C ATOM 0 H VAL B 102 4.489 -7.644 -4.464 1.00 0.00 H new ATOM 0 HA VAL B 102 3.473 -5.288 -5.572 1.00 0.00 H new ATOM 0 HB VAL B 102 5.326 -7.373 -6.788 1.00 0.00 H new ATOM 0 HG11 VAL B 102 6.150 -5.539 -8.214 1.00 0.00 H new ATOM 0 HG12 VAL B 102 4.430 -5.888 -8.506 1.00 0.00 H new ATOM 0 HG13 VAL B 102 4.898 -4.466 -7.544 1.00 0.00 H new ATOM 0 HG21 VAL B 102 7.138 -5.895 -5.999 1.00 0.00 H new ATOM 0 HG22 VAL B 102 5.930 -4.843 -5.223 1.00 0.00 H new ATOM 0 HG23 VAL B 102 6.152 -6.515 -4.654 1.00 0.00 H new ATOM 1627 N ASN B 103 2.477 -8.087 -6.990 1.00 0.00 N ATOM 1628 CA ASN B 103 1.550 -8.676 -7.954 1.00 0.00 C ATOM 1629 C ASN B 103 0.123 -8.189 -7.728 1.00 0.00 C ATOM 1630 O ASN B 103 -0.686 -8.165 -8.657 1.00 0.00 O ATOM 1631 CB ASN B 103 1.599 -10.208 -7.889 1.00 0.00 C ATOM 1632 CG ASN B 103 2.628 -10.804 -8.833 1.00 0.00 C ATOM 1633 OD1 ASN B 103 2.323 -11.110 -9.987 1.00 0.00 O ATOM 1634 ND2 ASN B 103 3.848 -10.980 -8.355 1.00 0.00 N ATOM 0 H ASN B 103 2.951 -8.767 -6.396 1.00 0.00 H new ATOM 0 HA ASN B 103 1.865 -8.354 -8.947 1.00 0.00 H new ATOM 0 HB2 ASN B 103 1.827 -10.517 -6.869 1.00 0.00 H new ATOM 0 HB3 ASN B 103 0.615 -10.609 -8.131 1.00 0.00 H new ATOM 0 HD21 ASN B 103 4.575 -11.382 -8.947 1.00 0.00 H new ATOM 0 HD22 ASN B 103 4.062 -10.714 -7.394 1.00 0.00 H new ATOM 1641 N TYR B 104 -0.184 -7.787 -6.501 1.00 0.00 N ATOM 1642 CA TYR B 104 -1.491 -7.227 -6.197 1.00 0.00 C ATOM 1643 C TYR B 104 -1.587 -5.799 -6.711 1.00 0.00 C ATOM 1644 O TYR B 104 -2.578 -5.425 -7.336 1.00 0.00 O ATOM 1645 CB TYR B 104 -1.771 -7.274 -4.695 1.00 0.00 C ATOM 1646 CG TYR B 104 -2.409 -8.567 -4.239 1.00 0.00 C ATOM 1647 CD1 TYR B 104 -1.878 -9.795 -4.610 1.00 0.00 C ATOM 1648 CD2 TYR B 104 -3.551 -8.558 -3.446 1.00 0.00 C ATOM 1649 CE1 TYR B 104 -2.464 -10.976 -4.204 1.00 0.00 C ATOM 1650 CE2 TYR B 104 -4.143 -9.737 -3.036 1.00 0.00 C ATOM 1651 CZ TYR B 104 -3.595 -10.944 -3.418 1.00 0.00 C ATOM 1652 OH TYR B 104 -4.182 -12.124 -3.015 1.00 0.00 O ATOM 0 H TYR B 104 0.452 -7.839 -5.705 1.00 0.00 H new ATOM 0 HA TYR B 104 -2.245 -7.832 -6.700 1.00 0.00 H new ATOM 0 HB2 TYR B 104 -0.835 -7.130 -4.155 1.00 0.00 H new ATOM 0 HB3 TYR B 104 -2.424 -6.443 -4.429 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -0.992 -9.826 -5.226 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -3.982 -7.614 -3.146 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -2.038 -11.923 -4.501 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -5.030 -9.714 -2.420 1.00 0.00 H new ATOM 0 HH TYR B 104 -4.969 -11.927 -2.466 1.00 0.00 H new ATOM 1662 N LEU B 105 -0.538 -5.014 -6.485 1.00 0.00 N ATOM 1663 CA LEU B 105 -0.505 -3.632 -6.960 1.00 0.00 C ATOM 1664 C LEU B 105 -0.610 -3.581 -8.480 1.00 0.00 C ATOM 1665 O LEU B 105 -1.049 -2.585 -9.047 1.00 0.00 O ATOM 1666 CB LEU B 105 0.760 -2.894 -6.501 1.00 0.00 C ATOM 1667 CG LEU B 105 0.774 -2.417 -5.041 1.00 0.00 C ATOM 1668 CD1 LEU B 105 -0.509 -1.674 -4.700 1.00 0.00 C ATOM 1669 CD2 LEU B 105 0.991 -3.576 -4.086 1.00 0.00 C ATOM 0 H LEU B 105 0.297 -5.308 -5.979 1.00 0.00 H new ATOM 0 HA LEU B 105 -1.365 -3.126 -6.522 1.00 0.00 H new ATOM 0 HB2 LEU B 105 1.615 -3.552 -6.655 1.00 0.00 H new ATOM 0 HB3 LEU B 105 0.904 -2.027 -7.146 1.00 0.00 H new ATOM 0 HG LEU B 105 1.610 -1.727 -4.927 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -0.475 -1.347 -3.661 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -0.611 -0.806 -5.351 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -1.362 -2.337 -4.843 1.00 0.00 H new ATOM 0 HD21 LEU B 105 0.996 -3.206 -3.061 1.00 0.00 H new ATOM 0 HD22 LEU B 105 0.187 -4.302 -4.206 1.00 0.00 H new ATOM 0 HD23 LEU B 105 1.946 -4.053 -4.304 1.00 0.00 H new ATOM 1681 N ASN B 106 -0.215 -4.669 -9.131 1.00 0.00 N ATOM 1682 CA ASN B 106 -0.323 -4.782 -10.582 1.00 0.00 C ATOM 1683 C ASN B 106 -1.776 -4.671 -11.039 1.00 0.00 C ATOM 1684 O ASN B 106 -2.049 -4.256 -12.166 1.00 0.00 O ATOM 1685 CB ASN B 106 0.265 -6.107 -11.074 1.00 0.00 C ATOM 1686 CG ASN B 106 1.772 -6.191 -10.924 1.00 0.00 C ATOM 1687 OD1 ASN B 106 2.322 -7.269 -10.703 1.00 0.00 O ATOM 1688 ND2 ASN B 106 2.452 -5.067 -11.063 1.00 0.00 N ATOM 0 H ASN B 106 0.185 -5.489 -8.675 1.00 0.00 H new ATOM 0 HA ASN B 106 0.245 -3.958 -11.013 1.00 0.00 H new ATOM 0 HB2 ASN B 106 -0.194 -6.927 -10.521 1.00 0.00 H new ATOM 0 HB3 ASN B 106 0.004 -6.244 -12.123 1.00 0.00 H new ATOM 0 HD21 ASN B 106 3.469 -5.074 -10.988 1.00 0.00 H new ATOM 0 HD22 ASN B 106 1.960 -4.192 -11.246 1.00 0.00 H new ATOM 1695 N THR B 107 -2.711 -5.022 -10.161 1.00 0.00 N ATOM 1696 CA THR B 107 -4.123 -4.961 -10.505 1.00 0.00 C ATOM 1697 C THR B 107 -4.733 -3.666 -9.986 1.00 0.00 C ATOM 1698 O THR B 107 -5.912 -3.383 -10.208 1.00 0.00 O ATOM 1699 CB THR B 107 -4.907 -6.174 -9.949 1.00 0.00 C ATOM 1700 OG1 THR B 107 -4.851 -6.211 -8.516 1.00 0.00 O ATOM 1701 CG2 THR B 107 -4.350 -7.475 -10.505 1.00 0.00 C ATOM 0 H THR B 107 -2.516 -5.349 -9.214 1.00 0.00 H new ATOM 0 HA THR B 107 -4.197 -4.990 -11.592 1.00 0.00 H new ATOM 0 HB THR B 107 -5.945 -6.063 -10.261 1.00 0.00 H new ATOM 0 HG1 THR B 107 -3.917 -6.153 -8.224 1.00 0.00 H new ATOM 0 HG21 THR B 107 -4.915 -8.315 -10.101 1.00 0.00 H new ATOM 0 HG22 THR B 107 -4.432 -7.471 -11.592 1.00 0.00 H new ATOM 0 HG23 THR B 107 -3.302 -7.573 -10.221 1.00 0.00 H new ATOM 1709 N LEU B 108 -3.900 -2.881 -9.307 1.00 0.00 N ATOM 1710 CA LEU B 108 -4.323 -1.621 -8.709 1.00 0.00 C ATOM 1711 C LEU B 108 -3.820 -0.433 -9.511 1.00 0.00 C ATOM 1712 O LEU B 108 -4.283 0.692 -9.326 1.00 0.00 O ATOM 1713 CB LEU B 108 -3.811 -1.510 -7.276 1.00 0.00 C ATOM 1714 CG LEU B 108 -4.731 -2.073 -6.193 1.00 0.00 C ATOM 1715 CD1 LEU B 108 -6.082 -1.376 -6.232 1.00 0.00 C ATOM 1716 CD2 LEU B 108 -4.899 -3.575 -6.343 1.00 0.00 C ATOM 0 H LEU B 108 -2.915 -3.101 -9.157 1.00 0.00 H new ATOM 0 HA LEU B 108 -5.413 -1.610 -8.710 1.00 0.00 H new ATOM 0 HB2 LEU B 108 -2.851 -2.023 -7.213 1.00 0.00 H new ATOM 0 HB3 LEU B 108 -3.626 -0.458 -7.057 1.00 0.00 H new ATOM 0 HG LEU B 108 -4.269 -1.884 -5.224 1.00 0.00 H new ATOM 0 HD11 LEU B 108 -6.726 -1.788 -5.455 1.00 0.00 H new ATOM 0 HD12 LEU B 108 -5.945 -0.308 -6.062 1.00 0.00 H new ATOM 0 HD13 LEU B 108 -6.544 -1.532 -7.207 1.00 0.00 H new ATOM 0 HD21 LEU B 108 -5.558 -3.947 -5.559 1.00 0.00 H new ATOM 0 HD22 LEU B 108 -5.333 -3.797 -7.318 1.00 0.00 H new ATOM 0 HD23 LEU B 108 -3.926 -4.060 -6.260 1.00 0.00 H new ATOM 1728 N ARG B 109 -2.867 -0.684 -10.388 1.00 0.00 N ATOM 1729 CA ARG B 109 -2.318 0.360 -11.233 1.00 0.00 C ATOM 1730 C ARG B 109 -3.075 0.424 -12.552 1.00 0.00 C ATOM 1731 O ARG B 109 -3.879 -0.462 -12.850 1.00 0.00 O ATOM 1732 CB ARG B 109 -0.830 0.112 -11.470 1.00 0.00 C ATOM 1733 CG ARG B 109 0.012 0.339 -10.227 1.00 0.00 C ATOM 1734 CD ARG B 109 1.457 -0.071 -10.442 1.00 0.00 C ATOM 1735 NE ARG B 109 2.328 0.461 -9.398 1.00 0.00 N ATOM 1736 CZ ARG B 109 3.653 0.526 -9.496 1.00 0.00 C ATOM 1737 NH1 ARG B 109 4.278 -0.037 -10.522 1.00 0.00 N1+ ATOM 1738 NH2 ARG B 109 4.354 1.135 -8.552 1.00 0.00 N ATOM 0 H ARG B 109 -2.455 -1.606 -10.534 1.00 0.00 H new ATOM 0 HA ARG B 109 -2.431 1.321 -10.730 1.00 0.00 H new ATOM 0 HB2 ARG B 109 -0.688 -0.912 -11.817 1.00 0.00 H new ATOM 0 HB3 ARG B 109 -0.479 0.770 -12.265 1.00 0.00 H new ATOM 0 HG2 ARG B 109 -0.029 1.392 -9.947 1.00 0.00 H new ATOM 0 HG3 ARG B 109 -0.407 -0.228 -9.396 1.00 0.00 H new ATOM 0 HD2 ARG B 109 1.529 -1.159 -10.457 1.00 0.00 H new ATOM 0 HD3 ARG B 109 1.796 0.284 -11.415 1.00 0.00 H new ATOM 0 HE ARG B 109 1.894 0.804 -8.541 1.00 0.00 H new ATOM 0 HH11 ARG B 109 3.742 -0.523 -11.241 1.00 0.00 H new ATOM 0 HH12 ARG B 109 5.294 0.016 -10.592 1.00 0.00 H new ATOM 0 HH21 ARG B 109 3.878 1.553 -7.752 1.00 0.00 H new ATOM 0 HH22 ARG B 109 5.370 1.186 -8.624 1.00 0.00 H new ATOM 1752 N TYR B 110 -2.826 1.475 -13.323 1.00 0.00 N ATOM 1753 CA TYR B 110 -3.516 1.680 -14.593 1.00 0.00 C ATOM 1754 C TYR B 110 -3.382 0.456 -15.495 1.00 0.00 C ATOM 1755 O TYR B 110 -2.272 0.030 -15.827 1.00 0.00 O ATOM 1756 CB TYR B 110 -2.962 2.918 -15.300 1.00 0.00 C ATOM 1757 CG TYR B 110 -3.663 3.244 -16.599 1.00 0.00 C ATOM 1758 CD1 TYR B 110 -4.948 3.768 -16.603 1.00 0.00 C ATOM 1759 CD2 TYR B 110 -3.038 3.033 -17.822 1.00 0.00 C ATOM 1760 CE1 TYR B 110 -5.592 4.072 -17.787 1.00 0.00 C ATOM 1761 CE2 TYR B 110 -3.674 3.333 -19.012 1.00 0.00 C ATOM 1762 CZ TYR B 110 -4.952 3.853 -18.987 1.00 0.00 C ATOM 1763 OH TYR B 110 -5.590 4.160 -20.169 1.00 0.00 O ATOM 0 H TYR B 110 -2.149 2.202 -13.091 1.00 0.00 H new ATOM 0 HA TYR B 110 -4.575 1.833 -14.383 1.00 0.00 H new ATOM 0 HB2 TYR B 110 -3.042 3.774 -14.630 1.00 0.00 H new ATOM 0 HB3 TYR B 110 -1.901 2.767 -15.499 1.00 0.00 H new ATOM 0 HD1 TYR B 110 -5.453 3.941 -15.664 1.00 0.00 H new ATOM 0 HD2 TYR B 110 -2.037 2.627 -17.843 1.00 0.00 H new ATOM 0 HE1 TYR B 110 -6.592 4.479 -17.772 1.00 0.00 H new ATOM 0 HE2 TYR B 110 -3.175 3.162 -19.954 1.00 0.00 H new ATOM 0 HH TYR B 110 -5.002 3.947 -20.923 1.00 0.00 H new ATOM 1773 N GLY B 111 -4.521 -0.103 -15.883 1.00 0.00 N ATOM 1774 CA GLY B 111 -4.525 -1.275 -16.733 1.00 0.00 C ATOM 1775 C GLY B 111 -4.778 -2.554 -15.958 1.00 0.00 C ATOM 1776 O GLY B 111 -4.528 -3.649 -16.464 1.00 0.00 O ATOM 0 H GLY B 111 -5.446 0.238 -15.622 1.00 0.00 H new ATOM 0 HA2 GLY B 111 -5.291 -1.161 -17.500 1.00 0.00 H new ATOM 0 HA3 GLY B 111 -3.567 -1.350 -17.248 1.00 0.00 H new ATOM 1780 N GLY B 112 -5.266 -2.418 -14.731 1.00 0.00 N ATOM 1781 CA GLY B 112 -5.570 -3.580 -13.919 1.00 0.00 C ATOM 1782 C GLY B 112 -6.978 -4.094 -14.153 1.00 0.00 C ATOM 1783 O GLY B 112 -7.411 -4.238 -15.295 1.00 0.00 O ATOM 0 H GLY B 112 -5.457 -1.522 -14.283 1.00 0.00 H new ATOM 0 HA2 GLY B 112 -4.855 -4.372 -14.141 1.00 0.00 H new ATOM 0 HA3 GLY B 112 -5.449 -3.326 -12.866 1.00 0.00 H new ATOM 1787 N ILE B 113 -7.692 -4.373 -13.072 1.00 0.00 N ATOM 1788 CA ILE B 113 -9.068 -4.847 -13.165 1.00 0.00 C ATOM 1789 C ILE B 113 -9.979 -4.041 -12.249 1.00 0.00 C ATOM 1790 O ILE B 113 -10.981 -3.482 -12.687 1.00 0.00 O ATOM 1791 CB ILE B 113 -9.190 -6.354 -12.836 1.00 0.00 C ATOM 1792 CG1 ILE B 113 -8.340 -6.725 -11.614 1.00 0.00 C ATOM 1793 CG2 ILE B 113 -8.794 -7.190 -14.043 1.00 0.00 C ATOM 1794 CD1 ILE B 113 -8.425 -8.186 -11.230 1.00 0.00 C ATOM 0 H ILE B 113 -7.342 -4.280 -12.119 1.00 0.00 H new ATOM 0 HA ILE B 113 -9.382 -4.706 -14.199 1.00 0.00 H new ATOM 0 HB ILE B 113 -10.231 -6.566 -12.592 1.00 0.00 H new ATOM 0 HG12 ILE B 113 -7.299 -6.473 -11.817 1.00 0.00 H new ATOM 0 HG13 ILE B 113 -8.656 -6.117 -10.766 1.00 0.00 H new ATOM 0 HG21 ILE B 113 -8.884 -8.248 -13.798 1.00 0.00 H new ATOM 0 HG22 ILE B 113 -9.451 -6.954 -14.880 1.00 0.00 H new ATOM 0 HG23 ILE B 113 -7.763 -6.968 -14.317 1.00 0.00 H new ATOM 0 HD11 ILE B 113 -7.797 -8.370 -10.358 1.00 0.00 H new ATOM 0 HD12 ILE B 113 -9.458 -8.441 -10.994 1.00 0.00 H new ATOM 0 HD13 ILE B 113 -8.081 -8.801 -12.061 1.00 0.00 H new ATOM 1806 N HIS B 114 -9.623 -3.979 -10.977 1.00 0.00 N ATOM 1807 CA HIS B 114 -10.347 -3.160 -10.018 1.00 0.00 C ATOM 1808 C HIS B 114 -9.407 -2.100 -9.479 1.00 0.00 C ATOM 1809 O HIS B 114 -9.326 -1.878 -8.271 1.00 0.00 O ATOM 1810 CB HIS B 114 -10.885 -4.012 -8.862 1.00 0.00 C ATOM 1811 CG HIS B 114 -11.754 -5.153 -9.292 1.00 0.00 C ATOM 1812 ND1 HIS B 114 -11.605 -6.431 -8.806 1.00 0.00 N ATOM 1813 CD2 HIS B 114 -12.790 -5.203 -10.161 1.00 0.00 C ATOM 1814 CE1 HIS B 114 -12.509 -7.217 -9.354 1.00 0.00 C ATOM 1815 NE2 HIS B 114 -13.244 -6.497 -10.178 1.00 0.00 N ATOM 0 H HIS B 114 -8.833 -4.489 -10.582 1.00 0.00 H new ATOM 0 HA HIS B 114 -11.197 -2.695 -10.517 1.00 0.00 H new ATOM 0 HB2 HIS B 114 -10.043 -4.406 -8.293 1.00 0.00 H new ATOM 0 HB3 HIS B 114 -11.453 -3.372 -8.187 1.00 0.00 H new ATOM 0 HD2 HIS B 114 -13.186 -4.378 -10.734 1.00 0.00 H new ATOM 0 HE1 HIS B 114 -12.628 -8.273 -9.161 1.00 0.00 H new ATOM 0 HE2 HIS B 114 -14.023 -6.845 -10.737 1.00 0.00 H new ATOM 1824 N TYR B 115 -8.678 -1.464 -10.387 1.00 0.00 N ATOM 1825 CA TYR B 115 -7.650 -0.526 -9.991 1.00 0.00 C ATOM 1826 C TYR B 115 -8.270 0.775 -9.516 1.00 0.00 C ATOM 1827 O TYR B 115 -9.347 1.172 -9.968 1.00 0.00 O ATOM 1828 CB TYR B 115 -6.649 -0.281 -11.133 1.00 0.00 C ATOM 1829 CG TYR B 115 -7.055 0.766 -12.142 1.00 0.00 C ATOM 1830 CD1 TYR B 115 -6.774 2.110 -11.927 1.00 0.00 C ATOM 1831 CD2 TYR B 115 -7.704 0.413 -13.313 1.00 0.00 C ATOM 1832 CE1 TYR B 115 -7.133 3.070 -12.847 1.00 0.00 C ATOM 1833 CE2 TYR B 115 -8.066 1.367 -14.240 1.00 0.00 C ATOM 1834 CZ TYR B 115 -7.779 2.694 -14.003 1.00 0.00 C ATOM 1835 OH TYR B 115 -8.146 3.647 -14.926 1.00 0.00 O ATOM 0 H TYR B 115 -8.782 -1.583 -11.395 1.00 0.00 H new ATOM 0 HA TYR B 115 -7.096 -0.962 -9.159 1.00 0.00 H new ATOM 0 HB2 TYR B 115 -5.693 0.011 -10.698 1.00 0.00 H new ATOM 0 HB3 TYR B 115 -6.486 -1.222 -11.658 1.00 0.00 H new ATOM 0 HD1 TYR B 115 -6.265 2.407 -11.022 1.00 0.00 H new ATOM 0 HD2 TYR B 115 -7.930 -0.626 -13.503 1.00 0.00 H new ATOM 0 HE1 TYR B 115 -6.909 4.110 -12.663 1.00 0.00 H new ATOM 0 HE2 TYR B 115 -8.572 1.076 -15.148 1.00 0.00 H new ATOM 0 HH TYR B 115 -7.434 3.750 -15.591 1.00 0.00 H new ATOM 1845 N ASN B 116 -7.590 1.419 -8.590 1.00 0.00 N ATOM 1846 CA ASN B 116 -8.053 2.672 -8.033 1.00 0.00 C ATOM 1847 C ASN B 116 -7.146 3.791 -8.497 1.00 0.00 C ATOM 1848 O ASN B 116 -5.920 3.682 -8.430 1.00 0.00 O ATOM 1849 CB ASN B 116 -8.058 2.615 -6.505 1.00 0.00 C ATOM 1850 CG ASN B 116 -8.948 1.522 -5.941 1.00 0.00 C ATOM 1851 OD1 ASN B 116 -8.675 0.978 -4.868 1.00 0.00 O ATOM 1852 ND2 ASN B 116 -10.016 1.193 -6.649 1.00 0.00 N ATOM 0 H ASN B 116 -6.705 1.090 -8.204 1.00 0.00 H new ATOM 0 HA ASN B 116 -9.072 2.854 -8.375 1.00 0.00 H new ATOM 0 HB2 ASN B 116 -7.038 2.460 -6.152 1.00 0.00 H new ATOM 0 HB3 ASN B 116 -8.388 3.578 -6.115 1.00 0.00 H new ATOM 0 HD21 ASN B 116 -10.647 0.466 -6.312 1.00 0.00 H new ATOM 0 HD22 ASN B 116 -10.208 1.666 -7.532 1.00 0.00 H new ATOM 1859 N GLU B 117 -7.758 4.872 -8.951 1.00 0.00 N ATOM 1860 CA GLU B 117 -7.024 6.014 -9.465 1.00 0.00 C ATOM 1861 C GLU B 117 -6.192 6.653 -8.360 1.00 0.00 C ATOM 1862 O GLU B 117 -5.168 7.283 -8.629 1.00 0.00 O ATOM 1863 CB GLU B 117 -7.976 7.045 -10.093 1.00 0.00 C ATOM 1864 CG GLU B 117 -9.100 7.520 -9.176 1.00 0.00 C ATOM 1865 CD GLU B 117 -10.244 6.530 -9.066 1.00 0.00 C ATOM 1866 OE1 GLU B 117 -10.191 5.640 -8.191 1.00 0.00 O ATOM 1867 OE2 GLU B 117 -11.209 6.637 -9.853 1.00 0.00 O1- ATOM 0 H GLU B 117 -8.772 4.982 -8.973 1.00 0.00 H new ATOM 0 HA GLU B 117 -6.350 5.661 -10.246 1.00 0.00 H new ATOM 0 HB2 GLU B 117 -7.394 7.911 -10.409 1.00 0.00 H new ATOM 0 HB3 GLU B 117 -8.417 6.612 -10.991 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -8.694 7.707 -8.182 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -9.485 8.470 -9.547 1.00 0.00 H new ATOM 1874 N ALA B 118 -6.626 6.464 -7.116 1.00 0.00 N ATOM 1875 CA ALA B 118 -5.888 6.973 -5.969 1.00 0.00 C ATOM 1876 C ALA B 118 -4.649 6.128 -5.705 1.00 0.00 C ATOM 1877 O ALA B 118 -3.614 6.651 -5.323 1.00 0.00 O ATOM 1878 CB ALA B 118 -6.769 7.011 -4.732 1.00 0.00 C ATOM 0 H ALA B 118 -7.483 5.963 -6.880 1.00 0.00 H new ATOM 0 HA ALA B 118 -5.572 7.990 -6.200 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -6.195 7.395 -3.888 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -7.625 7.661 -4.915 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -7.120 6.005 -4.504 1.00 0.00 H new ATOM 1884 N ILE B 119 -4.763 4.818 -5.916 1.00 0.00 N ATOM 1885 CA ILE B 119 -3.640 3.904 -5.702 1.00 0.00 C ATOM 1886 C ILE B 119 -2.539 4.142 -6.733 1.00 0.00 C ATOM 1887 O ILE B 119 -1.350 4.060 -6.415 1.00 0.00 O ATOM 1888 CB ILE B 119 -4.090 2.428 -5.752 1.00 0.00 C ATOM 1889 CG1 ILE B 119 -5.127 2.153 -4.661 1.00 0.00 C ATOM 1890 CG2 ILE B 119 -2.897 1.491 -5.594 1.00 0.00 C ATOM 1891 CD1 ILE B 119 -4.581 2.277 -3.260 1.00 0.00 C ATOM 0 H ILE B 119 -5.620 4.365 -6.234 1.00 0.00 H new ATOM 0 HA ILE B 119 -3.246 4.109 -4.706 1.00 0.00 H new ATOM 0 HB ILE B 119 -4.544 2.242 -6.725 1.00 0.00 H new ATOM 0 HG12 ILE B 119 -5.959 2.847 -4.780 1.00 0.00 H new ATOM 0 HG13 ILE B 119 -5.528 1.149 -4.798 1.00 0.00 H new ATOM 0 HG21 ILE B 119 -3.239 0.457 -5.632 1.00 0.00 H new ATOM 0 HG22 ILE B 119 -2.186 1.668 -6.401 1.00 0.00 H new ATOM 0 HG23 ILE B 119 -2.412 1.677 -4.636 1.00 0.00 H new ATOM 0 HD11 ILE B 119 -5.373 2.068 -2.541 1.00 0.00 H new ATOM 0 HD12 ILE B 119 -3.768 1.564 -3.122 1.00 0.00 H new ATOM 0 HD13 ILE B 119 -4.207 3.289 -3.104 1.00 0.00 H new ATOM 1903 N GLU B 120 -2.939 4.437 -7.964 1.00 0.00 N ATOM 1904 CA GLU B 120 -1.987 4.792 -9.009 1.00 0.00 C ATOM 1905 C GLU B 120 -1.176 6.014 -8.580 1.00 0.00 C ATOM 1906 O GLU B 120 0.055 5.989 -8.592 1.00 0.00 O ATOM 1907 CB GLU B 120 -2.729 5.059 -10.324 1.00 0.00 C ATOM 1908 CG GLU B 120 -1.839 5.548 -11.460 1.00 0.00 C ATOM 1909 CD GLU B 120 -0.736 4.573 -11.830 1.00 0.00 C ATOM 1910 OE1 GLU B 120 -1.020 3.565 -12.513 1.00 0.00 O ATOM 1911 OE2 GLU B 120 0.434 4.833 -11.474 1.00 0.00 O1- ATOM 0 H GLU B 120 -3.914 4.437 -8.263 1.00 0.00 H new ATOM 0 HA GLU B 120 -1.298 3.962 -9.168 1.00 0.00 H new ATOM 0 HB2 GLU B 120 -3.228 4.142 -10.638 1.00 0.00 H new ATOM 0 HB3 GLU B 120 -3.508 5.800 -10.144 1.00 0.00 H new ATOM 0 HG2 GLU B 120 -2.456 5.736 -12.339 1.00 0.00 H new ATOM 0 HG3 GLU B 120 -1.391 6.500 -11.175 1.00 0.00 H new ATOM 1918 N GLU B 121 -1.870 7.068 -8.163 1.00 0.00 N ATOM 1919 CA GLU B 121 -1.205 8.279 -7.694 1.00 0.00 C ATOM 1920 C GLU B 121 -0.462 8.020 -6.389 1.00 0.00 C ATOM 1921 O GLU B 121 0.596 8.594 -6.151 1.00 0.00 O ATOM 1922 CB GLU B 121 -2.207 9.414 -7.508 1.00 0.00 C ATOM 1923 CG GLU B 121 -2.885 9.842 -8.796 1.00 0.00 C ATOM 1924 CD GLU B 121 -3.735 11.076 -8.611 1.00 0.00 C ATOM 1925 OE1 GLU B 121 -4.888 10.946 -8.154 1.00 0.00 O1- ATOM 1926 OE2 GLU B 121 -3.256 12.186 -8.926 1.00 0.00 O ATOM 0 H GLU B 121 -2.889 7.109 -8.140 1.00 0.00 H new ATOM 0 HA GLU B 121 -0.482 8.575 -8.454 1.00 0.00 H new ATOM 0 HB2 GLU B 121 -2.968 9.102 -6.793 1.00 0.00 H new ATOM 0 HB3 GLU B 121 -1.695 10.273 -7.074 1.00 0.00 H new ATOM 0 HG2 GLU B 121 -2.128 10.035 -9.556 1.00 0.00 H new ATOM 0 HG3 GLU B 121 -3.507 9.027 -9.165 1.00 0.00 H new ATOM 1933 N PHE B 122 -1.028 7.156 -5.550 1.00 0.00 N ATOM 1934 CA PHE B 122 -0.391 6.748 -4.301 1.00 0.00 C ATOM 1935 C PHE B 122 1.017 6.260 -4.578 1.00 0.00 C ATOM 1936 O PHE B 122 1.974 6.706 -3.952 1.00 0.00 O ATOM 1937 CB PHE B 122 -1.203 5.634 -3.631 1.00 0.00 C ATOM 1938 CG PHE B 122 -0.639 5.156 -2.320 1.00 0.00 C ATOM 1939 CD1 PHE B 122 -1.019 5.753 -1.129 1.00 0.00 C ATOM 1940 CD2 PHE B 122 0.266 4.105 -2.279 1.00 0.00 C ATOM 1941 CE1 PHE B 122 -0.505 5.313 0.077 1.00 0.00 C ATOM 1942 CE2 PHE B 122 0.783 3.663 -1.077 1.00 0.00 C ATOM 1943 CZ PHE B 122 0.397 4.267 0.103 1.00 0.00 C ATOM 0 H PHE B 122 -1.936 6.721 -5.715 1.00 0.00 H new ATOM 0 HA PHE B 122 -0.350 7.606 -3.630 1.00 0.00 H new ATOM 0 HB2 PHE B 122 -2.220 5.991 -3.467 1.00 0.00 H new ATOM 0 HB3 PHE B 122 -1.269 4.788 -4.315 1.00 0.00 H new ATOM 0 HD1 PHE B 122 -1.724 6.571 -1.143 1.00 0.00 H new ATOM 0 HD2 PHE B 122 0.570 3.627 -3.198 1.00 0.00 H new ATOM 0 HE1 PHE B 122 -0.809 5.787 0.999 1.00 0.00 H new ATOM 0 HE2 PHE B 122 1.489 2.846 -1.060 1.00 0.00 H new ATOM 0 HZ PHE B 122 0.799 3.923 1.044 1.00 0.00 H new ATOM 1953 N CYS B 123 1.127 5.351 -5.536 1.00 0.00 N ATOM 1954 CA CYS B 123 2.415 4.838 -5.952 1.00 0.00 C ATOM 1955 C CYS B 123 3.302 5.978 -6.435 1.00 0.00 C ATOM 1956 O CYS B 123 4.437 6.119 -5.989 1.00 0.00 O ATOM 1957 CB CYS B 123 2.240 3.807 -7.070 1.00 0.00 C ATOM 1958 SG CYS B 123 1.192 2.402 -6.626 1.00 0.00 S ATOM 0 H CYS B 123 0.333 4.955 -6.039 1.00 0.00 H new ATOM 0 HA CYS B 123 2.889 4.355 -5.098 1.00 0.00 H new ATOM 0 HB2 CYS B 123 1.814 4.302 -7.942 1.00 0.00 H new ATOM 0 HB3 CYS B 123 3.222 3.435 -7.363 1.00 0.00 H new ATOM 0 HG CYS B 123 -0.031 2.809 -6.455 1.00 0.00 H new ATOM 1964 N GLN B 124 2.745 6.816 -7.304 1.00 0.00 N ATOM 1965 CA GLN B 124 3.513 7.860 -7.978 1.00 0.00 C ATOM 1966 C GLN B 124 4.069 8.888 -7.003 1.00 0.00 C ATOM 1967 O GLN B 124 5.270 9.150 -6.999 1.00 0.00 O ATOM 1968 CB GLN B 124 2.652 8.556 -9.031 1.00 0.00 C ATOM 1969 CG GLN B 124 2.244 7.639 -10.169 1.00 0.00 C ATOM 1970 CD GLN B 124 3.438 7.014 -10.859 1.00 0.00 C ATOM 1971 OE1 GLN B 124 4.511 7.611 -10.937 1.00 0.00 O ATOM 1972 NE2 GLN B 124 3.263 5.801 -11.354 1.00 0.00 N ATOM 0 H GLN B 124 1.758 6.792 -7.560 1.00 0.00 H new ATOM 0 HA GLN B 124 4.360 7.373 -8.461 1.00 0.00 H new ATOM 0 HB2 GLN B 124 1.756 8.954 -8.554 1.00 0.00 H new ATOM 0 HB3 GLN B 124 3.201 9.406 -9.436 1.00 0.00 H new ATOM 0 HG2 GLN B 124 1.596 6.851 -9.784 1.00 0.00 H new ATOM 0 HG3 GLN B 124 1.661 8.204 -10.897 1.00 0.00 H new ATOM 0 HE21 GLN B 124 2.357 5.341 -11.268 1.00 0.00 H new ATOM 0 HE22 GLN B 124 4.034 5.325 -11.822 1.00 0.00 H new ATOM 1981 N ILE B 125 3.199 9.465 -6.186 1.00 0.00 N ATOM 1982 CA ILE B 125 3.598 10.510 -5.249 1.00 0.00 C ATOM 1983 C ILE B 125 4.573 9.960 -4.210 1.00 0.00 C ATOM 1984 O ILE B 125 5.526 10.633 -3.812 1.00 0.00 O ATOM 1985 CB ILE B 125 2.366 11.110 -4.538 1.00 0.00 C ATOM 1986 CG1 ILE B 125 1.350 11.595 -5.574 1.00 0.00 C ATOM 1987 CG2 ILE B 125 2.777 12.254 -3.623 1.00 0.00 C ATOM 1988 CD1 ILE B 125 0.009 11.954 -4.983 1.00 0.00 C ATOM 0 H ILE B 125 2.208 9.227 -6.152 1.00 0.00 H new ATOM 0 HA ILE B 125 4.093 11.296 -5.819 1.00 0.00 H new ATOM 0 HB ILE B 125 1.905 10.334 -3.926 1.00 0.00 H new ATOM 0 HG12 ILE B 125 1.756 12.466 -6.088 1.00 0.00 H new ATOM 0 HG13 ILE B 125 1.210 10.818 -6.325 1.00 0.00 H new ATOM 0 HG21 ILE B 125 1.894 12.662 -3.132 1.00 0.00 H new ATOM 0 HG22 ILE B 125 3.473 11.885 -2.870 1.00 0.00 H new ATOM 0 HG23 ILE B 125 3.259 13.035 -4.211 1.00 0.00 H new ATOM 0 HD11 ILE B 125 -0.660 12.289 -5.776 1.00 0.00 H new ATOM 0 HD12 ILE B 125 -0.419 11.079 -4.493 1.00 0.00 H new ATOM 0 HD13 ILE B 125 0.135 12.753 -4.253 1.00 0.00 H new ATOM 2000 N LEU B 126 4.329 8.728 -3.790 1.00 0.00 N ATOM 2001 CA LEU B 126 5.178 8.057 -2.817 1.00 0.00 C ATOM 2002 C LEU B 126 6.561 7.817 -3.405 1.00 0.00 C ATOM 2003 O LEU B 126 7.570 8.345 -2.928 1.00 0.00 O ATOM 2004 CB LEU B 126 4.555 6.704 -2.468 1.00 0.00 C ATOM 2005 CG LEU B 126 4.896 6.116 -1.110 1.00 0.00 C ATOM 2006 CD1 LEU B 126 4.390 4.689 -1.026 1.00 0.00 C ATOM 2007 CD2 LEU B 126 6.376 6.178 -0.793 1.00 0.00 C ATOM 0 H LEU B 126 3.540 8.167 -4.112 1.00 0.00 H new ATOM 0 HA LEU B 126 5.266 8.682 -1.928 1.00 0.00 H new ATOM 0 HB2 LEU B 126 3.471 6.804 -2.531 1.00 0.00 H new ATOM 0 HB3 LEU B 126 4.854 5.987 -3.232 1.00 0.00 H new ATOM 0 HG LEU B 126 4.396 6.728 -0.359 1.00 0.00 H new ATOM 0 HD11 LEU B 126 4.637 4.272 -0.050 1.00 0.00 H new ATOM 0 HD12 LEU B 126 3.309 4.678 -1.162 1.00 0.00 H new ATOM 0 HD13 LEU B 126 4.860 4.090 -1.806 1.00 0.00 H new ATOM 0 HD21 LEU B 126 6.556 5.743 0.190 1.00 0.00 H new ATOM 0 HD22 LEU B 126 6.933 5.619 -1.545 1.00 0.00 H new ATOM 0 HD23 LEU B 126 6.705 7.217 -0.796 1.00 0.00 H new ATOM 2019 N LEU B 127 6.577 7.024 -4.465 1.00 0.00 N ATOM 2020 CA LEU B 127 7.820 6.573 -5.081 1.00 0.00 C ATOM 2021 C LEU B 127 8.626 7.749 -5.613 1.00 0.00 C ATOM 2022 O LEU B 127 9.851 7.676 -5.712 1.00 0.00 O ATOM 2023 CB LEU B 127 7.548 5.554 -6.208 1.00 0.00 C ATOM 2024 CG LEU B 127 7.104 6.132 -7.567 1.00 0.00 C ATOM 2025 CD1 LEU B 127 8.303 6.467 -8.443 1.00 0.00 C ATOM 2026 CD2 LEU B 127 6.189 5.158 -8.288 1.00 0.00 C ATOM 0 H LEU B 127 5.735 6.675 -4.922 1.00 0.00 H new ATOM 0 HA LEU B 127 8.407 6.077 -4.308 1.00 0.00 H new ATOM 0 HB2 LEU B 127 8.455 4.970 -6.366 1.00 0.00 H new ATOM 0 HB3 LEU B 127 6.779 4.862 -5.864 1.00 0.00 H new ATOM 0 HG LEU B 127 6.556 7.054 -7.371 1.00 0.00 H new ATOM 0 HD11 LEU B 127 7.957 6.872 -9.394 1.00 0.00 H new ATOM 0 HD12 LEU B 127 8.927 7.205 -7.939 1.00 0.00 H new ATOM 0 HD13 LEU B 127 8.885 5.563 -8.624 1.00 0.00 H new ATOM 0 HD21 LEU B 127 5.886 5.583 -9.245 1.00 0.00 H new ATOM 0 HD22 LEU B 127 6.718 4.220 -8.459 1.00 0.00 H new ATOM 0 HD23 LEU B 127 5.305 4.970 -7.679 1.00 0.00 H new ATOM 2038 N ASP B 128 7.927 8.823 -5.963 1.00 0.00 N ATOM 2039 CA ASP B 128 8.561 10.030 -6.477 1.00 0.00 C ATOM 2040 C ASP B 128 9.625 10.508 -5.508 1.00 0.00 C ATOM 2041 O ASP B 128 10.774 10.733 -5.880 1.00 0.00 O ATOM 2042 CB ASP B 128 7.519 11.131 -6.666 1.00 0.00 C ATOM 2043 CG ASP B 128 8.024 12.278 -7.518 1.00 0.00 C ATOM 2044 OD1 ASP B 128 8.892 13.039 -7.051 1.00 0.00 O1- ATOM 2045 OD2 ASP B 128 7.549 12.420 -8.665 1.00 0.00 O ATOM 0 H ASP B 128 6.911 8.881 -5.899 1.00 0.00 H new ATOM 0 HA ASP B 128 9.021 9.800 -7.438 1.00 0.00 H new ATOM 0 HB2 ASP B 128 6.628 10.706 -7.128 1.00 0.00 H new ATOM 0 HB3 ASP B 128 7.220 11.514 -5.690 1.00 0.00 H new ATOM 2050 N LYS B 129 9.235 10.610 -4.249 1.00 0.00 N ATOM 2051 CA LYS B 129 10.119 11.110 -3.213 1.00 0.00 C ATOM 2052 C LYS B 129 11.098 10.020 -2.779 1.00 0.00 C ATOM 2053 O LYS B 129 12.210 10.311 -2.345 1.00 0.00 O ATOM 2054 CB LYS B 129 9.296 11.615 -2.027 1.00 0.00 C ATOM 2055 CG LYS B 129 8.129 12.507 -2.434 1.00 0.00 C ATOM 2056 CD LYS B 129 8.588 13.715 -3.240 1.00 0.00 C ATOM 2057 CE LYS B 129 7.407 14.503 -3.791 1.00 0.00 C ATOM 2058 NZ LYS B 129 6.526 15.027 -2.714 1.00 0.00 N1+ ATOM 0 H LYS B 129 8.305 10.351 -3.919 1.00 0.00 H new ATOM 0 HA LYS B 129 10.699 11.944 -3.609 1.00 0.00 H new ATOM 0 HB2 LYS B 129 8.913 10.760 -1.470 1.00 0.00 H new ATOM 0 HB3 LYS B 129 9.948 12.169 -1.352 1.00 0.00 H new ATOM 0 HG2 LYS B 129 7.418 11.927 -3.023 1.00 0.00 H new ATOM 0 HG3 LYS B 129 7.603 12.845 -1.541 1.00 0.00 H new ATOM 0 HD2 LYS B 129 9.197 14.364 -2.610 1.00 0.00 H new ATOM 0 HD3 LYS B 129 9.221 13.385 -4.063 1.00 0.00 H new ATOM 0 HE2 LYS B 129 7.776 15.334 -4.392 1.00 0.00 H new ATOM 0 HE3 LYS B 129 6.825 13.864 -4.455 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 5.806 15.653 -3.128 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 6.058 14.233 -2.231 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 7.096 15.562 -2.028 1.00 0.00 H new ATOM 2072 N LEU B 130 10.680 8.761 -2.924 1.00 0.00 N ATOM 2073 CA LEU B 130 11.562 7.623 -2.671 1.00 0.00 C ATOM 2074 C LEU B 130 12.735 7.624 -3.643 1.00 0.00 C ATOM 2075 O LEU B 130 13.824 7.159 -3.320 1.00 0.00 O ATOM 2076 CB LEU B 130 10.804 6.301 -2.797 1.00 0.00 C ATOM 2077 CG LEU B 130 9.759 6.032 -1.715 1.00 0.00 C ATOM 2078 CD1 LEU B 130 9.080 4.697 -1.961 1.00 0.00 C ATOM 2079 CD2 LEU B 130 10.393 6.054 -0.334 1.00 0.00 C ATOM 0 H LEU B 130 9.737 8.505 -3.215 1.00 0.00 H new ATOM 0 HA LEU B 130 11.937 7.720 -1.652 1.00 0.00 H new ATOM 0 HB2 LEU B 130 10.309 6.278 -3.768 1.00 0.00 H new ATOM 0 HB3 LEU B 130 11.528 5.486 -2.788 1.00 0.00 H new ATOM 0 HG LEU B 130 9.009 6.822 -1.759 1.00 0.00 H new ATOM 0 HD11 LEU B 130 8.338 4.517 -1.183 1.00 0.00 H new ATOM 0 HD12 LEU B 130 8.589 4.712 -2.934 1.00 0.00 H new ATOM 0 HD13 LEU B 130 9.825 3.901 -1.943 1.00 0.00 H new ATOM 0 HD21 LEU B 130 9.630 5.860 0.420 1.00 0.00 H new ATOM 0 HD22 LEU B 130 11.164 5.286 -0.275 1.00 0.00 H new ATOM 0 HD23 LEU B 130 10.840 7.032 -0.154 1.00 0.00 H new ATOM 2091 N ASN B 131 12.506 8.140 -4.841 1.00 0.00 N ATOM 2092 CA ASN B 131 13.560 8.220 -5.840 1.00 0.00 C ATOM 2093 C ASN B 131 14.240 9.582 -5.809 1.00 0.00 C ATOM 2094 O ASN B 131 15.340 9.745 -6.329 1.00 0.00 O ATOM 2095 CB ASN B 131 13.008 7.931 -7.242 1.00 0.00 C ATOM 2096 CG ASN B 131 12.748 6.452 -7.481 1.00 0.00 C ATOM 2097 OD1 ASN B 131 13.626 5.723 -7.938 1.00 0.00 O ATOM 2098 ND2 ASN B 131 11.544 5.996 -7.175 1.00 0.00 N ATOM 0 H ASN B 131 11.604 8.508 -5.144 1.00 0.00 H new ATOM 0 HA ASN B 131 14.304 7.461 -5.599 1.00 0.00 H new ATOM 0 HB2 ASN B 131 12.080 8.486 -7.383 1.00 0.00 H new ATOM 0 HB3 ASN B 131 13.714 8.296 -7.988 1.00 0.00 H new ATOM 0 HD21 ASN B 131 11.321 5.011 -7.317 1.00 0.00 H new ATOM 0 HD22 ASN B 131 10.839 6.630 -6.798 1.00 0.00 H new ATOM 2105 N ALA B 132 13.598 10.547 -5.163 1.00 0.00 N ATOM 2106 CA ALA B 132 14.127 11.906 -5.091 1.00 0.00 C ATOM 2107 C ALA B 132 15.160 12.040 -3.982 1.00 0.00 C ATOM 2108 O ALA B 132 15.780 13.090 -3.811 1.00 0.00 O ATOM 2109 CB ALA B 132 13.004 12.911 -4.892 1.00 0.00 C ATOM 0 H ALA B 132 12.709 10.415 -4.680 1.00 0.00 H new ATOM 0 HA ALA B 132 14.621 12.118 -6.039 1.00 0.00 H new ATOM 0 HB1 ALA B 132 13.421 13.917 -4.841 1.00 0.00 H new ATOM 0 HB2 ALA B 132 12.308 12.849 -5.728 1.00 0.00 H new ATOM 0 HB3 ALA B 132 12.477 12.689 -3.964 1.00 0.00 H new