USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 650 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 50 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 54 ASN : amide:sc= -5.97! K(o=-6!,f=-3.6) USER MOD Set 2.1: A 14 GLN : amide:sc= -7.98! C(o=-11!,f=-16!) USER MOD Set 2.2: A 36 HIS : no HD1:sc= -1.71! C(o=-11!,f=-12!) USER MOD Set 2.3: A 37 TYR OH : rot -99:sc= -1.75! USER MOD Set 3.1: A 8 TYR OH : rot -34:sc= -0.149 USER MOD Set 3.2: A 40 TYR OH : rot -175:sc= 1.16! USER MOD Set 4.1: A 6 TYR OH : rot 139:sc= 0.264 USER MOD Set 4.2: A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -7.61! C(o=-7.6!,f=-10!) USER MOD Single : A 17 SER OG : rot 55:sc= -7.74! USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0.0372 K(o=0.037,f=-2.3!) USER MOD Single : A 23 GLN : amide:sc= -0.48 K(o=-0.48,f=-1.2) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -90:sc=-0.00185 USER MOD Single : A 32 HIS : no HD1:sc= -8.39! K(o=-8.4!,f=-4.9) USER MOD Single : A 34 THR OG1 : rot 160:sc= -1.1 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -67:sc= 0.609 USER MOD Single : A 45 LYS NZ :NH3+ -95:sc= -0.317 (180deg=-1.49!) USER MOD Single : A 48 GLN : amide:sc= -14.6! C(o=-15!,f=-10!) USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 53 HIS : no HD1:sc= -0.261 K(o=-0.26,f=-1.9) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0055 USER MOD Single : A 58 ASN : amide:sc= -3.99 K(o=-4,f=-7.1!) USER MOD Single : A 60 TYR OH : rot 180:sc= -1.97! USER MOD Single : A 63 LYS NZ :NH3+ 152:sc= -0.0499 (180deg=-0.316) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -138:sc= -0.919 (180deg=-3.02!) USER MOD Single : A 90 GLN : amide:sc= -0.29 K(o=-0.29,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 79 N TYR A 6 9.386 3.525 -7.601 1.00 0.00 N ATOM 80 CA TYR A 6 9.272 2.881 -8.933 1.00 0.00 C ATOM 81 C TYR A 6 8.009 3.386 -9.617 1.00 0.00 C ATOM 82 O TYR A 6 7.387 4.324 -9.159 1.00 0.00 O ATOM 83 CB TYR A 6 9.209 1.363 -8.751 1.00 0.00 C ATOM 84 CG TYR A 6 9.998 0.979 -7.517 1.00 0.00 C ATOM 85 CD1 TYR A 6 11.205 1.630 -7.230 1.00 0.00 C ATOM 86 CD2 TYR A 6 9.521 -0.018 -6.660 1.00 0.00 C ATOM 87 CE1 TYR A 6 11.934 1.282 -6.088 1.00 0.00 C ATOM 88 CE2 TYR A 6 10.250 -0.367 -5.517 1.00 0.00 C ATOM 89 CZ TYR A 6 11.457 0.283 -5.232 1.00 0.00 C ATOM 90 OH TYR A 6 12.176 -0.061 -4.105 1.00 0.00 O ATOM 0 HA TYR A 6 10.136 3.127 -9.550 1.00 0.00 H new ATOM 0 HB2 TYR A 6 8.173 1.039 -8.651 1.00 0.00 H new ATOM 0 HB3 TYR A 6 9.616 0.862 -9.629 1.00 0.00 H new ATOM 0 HD1 TYR A 6 11.573 2.401 -7.891 1.00 0.00 H new ATOM 0 HD2 TYR A 6 8.590 -0.519 -6.880 1.00 0.00 H new ATOM 0 HE1 TYR A 6 12.864 1.784 -5.867 1.00 0.00 H new ATOM 0 HE2 TYR A 6 9.882 -1.137 -4.855 1.00 0.00 H new ATOM 0 HH TYR A 6 11.561 -0.201 -3.355 1.00 0.00 H new ATOM 100 N SER A 7 7.614 2.784 -10.703 1.00 0.00 N ATOM 101 CA SER A 7 6.381 3.256 -11.381 1.00 0.00 C ATOM 102 C SER A 7 5.298 3.389 -10.320 1.00 0.00 C ATOM 103 O SER A 7 5.488 2.988 -9.189 1.00 0.00 O ATOM 104 CB SER A 7 5.949 2.235 -12.433 1.00 0.00 C ATOM 105 OG SER A 7 5.089 2.864 -13.375 1.00 0.00 O ATOM 0 H SER A 7 8.086 1.995 -11.145 1.00 0.00 H new ATOM 0 HA SER A 7 6.555 4.211 -11.876 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.823 1.825 -12.939 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.436 1.400 -11.956 1.00 0.00 H new ATOM 0 HG SER A 7 4.812 2.211 -14.052 1.00 0.00 H new ATOM 111 N TYR A 8 4.165 3.937 -10.643 1.00 0.00 N ATOM 112 CA TYR A 8 3.119 4.060 -9.595 1.00 0.00 C ATOM 113 C TYR A 8 2.250 2.810 -9.587 1.00 0.00 C ATOM 114 O TYR A 8 1.060 2.850 -9.339 1.00 0.00 O ATOM 115 CB TYR A 8 2.298 5.331 -9.809 1.00 0.00 C ATOM 116 CG TYR A 8 2.934 6.444 -8.997 1.00 0.00 C ATOM 117 CD1 TYR A 8 4.274 6.333 -8.587 1.00 0.00 C ATOM 118 CD2 TYR A 8 2.192 7.574 -8.644 1.00 0.00 C ATOM 119 CE1 TYR A 8 4.867 7.344 -7.832 1.00 0.00 C ATOM 120 CE2 TYR A 8 2.791 8.589 -7.887 1.00 0.00 C ATOM 121 CZ TYR A 8 4.126 8.474 -7.481 1.00 0.00 C ATOM 122 OH TYR A 8 4.709 9.482 -6.739 1.00 0.00 O ATOM 0 H TYR A 8 3.920 4.298 -11.565 1.00 0.00 H new ATOM 0 HA TYR A 8 3.590 4.144 -8.616 1.00 0.00 H new ATOM 0 HB2 TYR A 8 2.275 5.596 -10.866 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.265 5.174 -9.497 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.848 5.459 -8.859 1.00 0.00 H new ATOM 0 HD2 TYR A 8 1.161 7.664 -8.953 1.00 0.00 H new ATOM 0 HE1 TYR A 8 5.897 7.253 -7.520 1.00 0.00 H new ATOM 0 HE2 TYR A 8 2.220 9.465 -7.615 1.00 0.00 H new ATOM 0 HH TYR A 8 5.357 9.095 -6.114 1.00 0.00 H new ATOM 132 N ALA A 9 2.871 1.691 -9.831 1.00 0.00 N ATOM 133 CA ALA A 9 2.155 0.392 -9.818 1.00 0.00 C ATOM 134 C ALA A 9 2.981 -0.627 -9.013 1.00 0.00 C ATOM 135 O ALA A 9 2.493 -1.676 -8.653 1.00 0.00 O ATOM 136 CB ALA A 9 1.966 -0.108 -11.249 1.00 0.00 C ATOM 0 H ALA A 9 3.866 1.624 -10.043 1.00 0.00 H new ATOM 0 HA ALA A 9 1.176 0.516 -9.356 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.440 -1.062 -11.234 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.383 0.619 -11.815 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.940 -0.238 -11.721 1.00 0.00 H new ATOM 142 N GLN A 10 4.228 -0.326 -8.714 1.00 0.00 N ATOM 143 CA GLN A 10 5.057 -1.277 -7.919 1.00 0.00 C ATOM 144 C GLN A 10 4.888 -0.947 -6.436 1.00 0.00 C ATOM 145 O GLN A 10 4.938 -1.812 -5.586 1.00 0.00 O ATOM 146 CB GLN A 10 6.527 -1.124 -8.301 1.00 0.00 C ATOM 147 CG GLN A 10 6.824 -1.937 -9.560 1.00 0.00 C ATOM 148 CD GLN A 10 8.325 -1.890 -9.846 1.00 0.00 C ATOM 149 OE1 GLN A 10 9.057 -1.175 -9.191 1.00 0.00 O ATOM 150 NE2 GLN A 10 8.818 -2.626 -10.802 1.00 0.00 N ATOM 0 H GLN A 10 4.700 0.536 -8.988 1.00 0.00 H new ATOM 0 HA GLN A 10 4.739 -2.300 -8.119 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.760 -0.073 -8.473 1.00 0.00 H new ATOM 0 HB3 GLN A 10 7.162 -1.461 -7.482 1.00 0.00 H new ATOM 0 HG2 GLN A 10 6.499 -2.969 -9.426 1.00 0.00 H new ATOM 0 HG3 GLN A 10 6.268 -1.535 -10.407 1.00 0.00 H new ATOM 0 HE21 GLN A 10 8.204 -3.226 -11.352 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.818 -2.602 -11.000 1.00 0.00 H new ATOM 159 N LEU A 11 4.659 0.302 -6.122 1.00 0.00 N ATOM 160 CA LEU A 11 4.455 0.671 -4.688 1.00 0.00 C ATOM 161 C LEU A 11 3.094 0.129 -4.309 1.00 0.00 C ATOM 162 O LEU A 11 2.814 -0.147 -3.160 1.00 0.00 O ATOM 163 CB LEU A 11 4.457 2.203 -4.418 1.00 0.00 C ATOM 164 CG LEU A 11 4.871 3.013 -5.636 1.00 0.00 C ATOM 165 CD1 LEU A 11 6.145 2.432 -6.238 1.00 0.00 C ATOM 166 CD2 LEU A 11 3.738 2.988 -6.652 1.00 0.00 C ATOM 0 H LEU A 11 4.605 1.074 -6.786 1.00 0.00 H new ATOM 0 HA LEU A 11 5.281 0.259 -4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.461 2.513 -4.102 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.136 2.422 -3.594 1.00 0.00 H new ATOM 0 HG LEU A 11 5.072 4.044 -5.346 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.435 3.018 -7.110 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.944 2.463 -5.498 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.968 1.399 -6.537 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.024 3.566 -7.530 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.535 1.958 -6.946 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.842 3.422 -6.208 1.00 0.00 H new ATOM 178 N ILE A 12 2.240 -0.031 -5.283 1.00 0.00 N ATOM 179 CA ILE A 12 0.901 -0.561 -4.985 1.00 0.00 C ATOM 180 C ILE A 12 0.941 -2.082 -4.990 1.00 0.00 C ATOM 181 O ILE A 12 0.607 -2.714 -4.023 1.00 0.00 O ATOM 182 CB ILE A 12 -0.116 -0.090 -6.014 1.00 0.00 C ATOM 183 CG1 ILE A 12 0.152 1.365 -6.407 1.00 0.00 C ATOM 184 CG2 ILE A 12 -1.496 -0.196 -5.382 1.00 0.00 C ATOM 185 CD1 ILE A 12 0.233 2.221 -5.145 1.00 0.00 C ATOM 0 H ILE A 12 2.420 0.184 -6.264 1.00 0.00 H new ATOM 0 HA ILE A 12 0.602 -0.194 -4.003 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.048 -0.704 -6.912 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.083 1.436 -6.969 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.642 1.730 -7.058 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.250 0.135 -6.096 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.690 -1.232 -5.104 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.538 0.433 -4.492 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.424 3.258 -5.421 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.710 2.158 -4.601 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.043 1.859 -4.511 1.00 0.00 H new ATOM 197 N VAL A 13 1.345 -2.684 -6.069 1.00 0.00 N ATOM 198 CA VAL A 13 1.392 -4.171 -6.090 1.00 0.00 C ATOM 199 C VAL A 13 2.177 -4.639 -4.867 1.00 0.00 C ATOM 200 O VAL A 13 1.692 -5.410 -4.067 1.00 0.00 O ATOM 201 CB VAL A 13 2.075 -4.649 -7.371 1.00 0.00 C ATOM 202 CG1 VAL A 13 2.339 -6.152 -7.279 1.00 0.00 C ATOM 203 CG2 VAL A 13 1.156 -4.367 -8.561 1.00 0.00 C ATOM 0 H VAL A 13 1.641 -2.220 -6.928 1.00 0.00 H new ATOM 0 HA VAL A 13 0.383 -4.583 -6.065 1.00 0.00 H new ATOM 0 HB VAL A 13 3.021 -4.123 -7.501 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.826 -6.492 -8.193 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.985 -6.356 -6.425 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.394 -6.680 -7.153 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.636 -4.705 -9.479 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.214 -4.898 -8.427 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.963 -3.296 -8.626 1.00 0.00 H new ATOM 213 N GLN A 14 3.371 -4.155 -4.685 1.00 0.00 N ATOM 214 CA GLN A 14 4.142 -4.564 -3.482 1.00 0.00 C ATOM 215 C GLN A 14 3.294 -4.226 -2.257 1.00 0.00 C ATOM 216 O GLN A 14 3.358 -4.876 -1.236 1.00 0.00 O ATOM 217 CB GLN A 14 5.462 -3.794 -3.430 1.00 0.00 C ATOM 218 CG GLN A 14 6.198 -4.123 -2.131 1.00 0.00 C ATOM 219 CD GLN A 14 7.560 -3.430 -2.134 1.00 0.00 C ATOM 220 OE1 GLN A 14 7.978 -2.878 -1.136 1.00 0.00 O ATOM 221 NE2 GLN A 14 8.274 -3.436 -3.225 1.00 0.00 N ATOM 0 H GLN A 14 3.843 -3.501 -5.310 1.00 0.00 H new ATOM 0 HA GLN A 14 4.366 -5.630 -3.510 1.00 0.00 H new ATOM 0 HB2 GLN A 14 6.082 -4.057 -4.287 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.272 -2.722 -3.491 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.611 -3.794 -1.273 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.326 -5.201 -2.035 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.922 -3.900 -4.062 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.185 -2.977 -3.241 1.00 0.00 H new ATOM 230 N ALA A 15 2.488 -3.209 -2.366 1.00 0.00 N ATOM 231 CA ALA A 15 1.612 -2.814 -1.232 1.00 0.00 C ATOM 232 C ALA A 15 0.570 -3.921 -0.978 1.00 0.00 C ATOM 233 O ALA A 15 0.611 -4.596 0.029 1.00 0.00 O ATOM 234 CB ALA A 15 0.919 -1.493 -1.582 1.00 0.00 C ATOM 0 H ALA A 15 2.398 -2.629 -3.201 1.00 0.00 H new ATOM 0 HA ALA A 15 2.203 -2.680 -0.326 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.273 -1.192 -0.758 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.670 -0.722 -1.754 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.320 -1.624 -2.483 1.00 0.00 H new ATOM 240 N ILE A 16 -0.366 -4.116 -1.875 1.00 0.00 N ATOM 241 CA ILE A 16 -1.397 -5.184 -1.656 1.00 0.00 C ATOM 242 C ILE A 16 -0.853 -6.562 -2.042 1.00 0.00 C ATOM 243 O ILE A 16 -0.947 -7.507 -1.286 1.00 0.00 O ATOM 244 CB ILE A 16 -2.651 -4.926 -2.499 1.00 0.00 C ATOM 245 CG1 ILE A 16 -2.352 -4.021 -3.696 1.00 0.00 C ATOM 246 CG2 ILE A 16 -3.714 -4.262 -1.635 1.00 0.00 C ATOM 247 CD1 ILE A 16 -3.430 -4.247 -4.750 1.00 0.00 C ATOM 0 H ILE A 16 -0.462 -3.588 -2.742 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.648 -5.162 -0.596 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.003 -5.887 -2.874 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.337 -2.976 -3.387 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.367 -4.247 -4.106 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.606 -4.078 -2.233 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.965 -4.916 -0.800 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.332 -3.316 -1.252 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.235 -3.610 -5.613 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.422 -5.292 -5.061 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.406 -4.001 -4.331 1.00 0.00 H new ATOM 259 N SER A 17 -0.317 -6.697 -3.223 1.00 0.00 N ATOM 260 CA SER A 17 0.192 -8.032 -3.659 1.00 0.00 C ATOM 261 C SER A 17 1.171 -8.591 -2.624 1.00 0.00 C ATOM 262 O SER A 17 1.450 -9.772 -2.601 1.00 0.00 O ATOM 263 CB SER A 17 0.896 -7.906 -5.010 1.00 0.00 C ATOM 264 OG SER A 17 0.007 -7.315 -5.948 1.00 0.00 O ATOM 0 H SER A 17 -0.209 -5.946 -3.904 1.00 0.00 H new ATOM 0 HA SER A 17 -0.654 -8.713 -3.753 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.795 -7.297 -4.910 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.213 -8.888 -5.361 1.00 0.00 H new ATOM 0 HG SER A 17 -0.322 -6.462 -5.594 1.00 0.00 H new ATOM 270 N SER A 18 1.692 -7.762 -1.761 1.00 0.00 N ATOM 271 CA SER A 18 2.643 -8.273 -0.733 1.00 0.00 C ATOM 272 C SER A 18 1.905 -8.461 0.595 1.00 0.00 C ATOM 273 O SER A 18 2.294 -9.263 1.420 1.00 0.00 O ATOM 274 CB SER A 18 3.788 -7.279 -0.543 1.00 0.00 C ATOM 275 OG SER A 18 4.915 -7.957 -0.005 1.00 0.00 O ATOM 0 H SER A 18 1.502 -6.761 -1.723 1.00 0.00 H new ATOM 0 HA SER A 18 3.050 -9.228 -1.065 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.047 -6.819 -1.497 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.480 -6.475 0.125 1.00 0.00 H new ATOM 0 HG SER A 18 5.651 -7.322 0.116 1.00 0.00 H new ATOM 281 N ALA A 19 0.836 -7.738 0.807 1.00 0.00 N ATOM 282 CA ALA A 19 0.084 -7.895 2.085 1.00 0.00 C ATOM 283 C ALA A 19 -0.595 -9.265 2.095 1.00 0.00 C ATOM 284 O ALA A 19 -0.762 -9.885 1.064 1.00 0.00 O ATOM 285 CB ALA A 19 -0.976 -6.796 2.192 1.00 0.00 C ATOM 0 H ALA A 19 0.455 -7.052 0.156 1.00 0.00 H new ATOM 0 HA ALA A 19 0.768 -7.816 2.930 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.526 -6.911 3.126 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.491 -5.820 2.174 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.667 -6.874 1.352 1.00 0.00 H new ATOM 291 N GLN A 20 -0.989 -9.745 3.247 1.00 0.00 N ATOM 292 CA GLN A 20 -1.659 -11.077 3.306 1.00 0.00 C ATOM 293 C GLN A 20 -2.665 -11.171 2.160 1.00 0.00 C ATOM 294 O GLN A 20 -2.402 -11.773 1.139 1.00 0.00 O ATOM 295 CB GLN A 20 -2.388 -11.235 4.643 1.00 0.00 C ATOM 296 CG GLN A 20 -2.827 -9.864 5.161 1.00 0.00 C ATOM 297 CD GLN A 20 -4.205 -9.981 5.812 1.00 0.00 C ATOM 298 OE1 GLN A 20 -5.193 -10.195 5.136 1.00 0.00 O ATOM 299 NE2 GLN A 20 -4.316 -9.852 7.105 1.00 0.00 N ATOM 0 H GLN A 20 -0.876 -9.274 4.145 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.914 -11.868 3.215 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -3.256 -11.882 4.520 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.733 -11.716 5.370 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.103 -9.488 5.883 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.861 -9.147 4.340 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.488 -9.673 7.673 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.231 -9.931 7.549 1.00 0.00 H new ATOM 308 N ASP A 21 -3.806 -10.559 2.309 1.00 0.00 N ATOM 309 CA ASP A 21 -4.811 -10.593 1.215 1.00 0.00 C ATOM 310 C ASP A 21 -4.533 -9.414 0.278 1.00 0.00 C ATOM 311 O ASP A 21 -4.553 -8.277 0.695 1.00 0.00 O ATOM 312 CB ASP A 21 -6.217 -10.464 1.808 1.00 0.00 C ATOM 313 CG ASP A 21 -6.622 -11.790 2.455 1.00 0.00 C ATOM 314 OD1 ASP A 21 -5.742 -12.587 2.732 1.00 0.00 O ATOM 315 OD2 ASP A 21 -7.809 -11.985 2.665 1.00 0.00 O ATOM 0 H ASP A 21 -4.084 -10.038 3.140 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.746 -11.533 0.667 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.239 -9.664 2.548 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.929 -10.196 1.028 1.00 0.00 H new ATOM 320 N ARG A 22 -4.249 -9.670 -0.974 1.00 0.00 N ATOM 321 CA ARG A 22 -3.947 -8.551 -1.917 1.00 0.00 C ATOM 322 C ARG A 22 -5.144 -7.599 -2.002 1.00 0.00 C ATOM 323 O ARG A 22 -5.986 -7.704 -2.876 1.00 0.00 O ATOM 324 CB ARG A 22 -3.631 -9.113 -3.310 1.00 0.00 C ATOM 325 CG ARG A 22 -2.916 -10.470 -3.197 1.00 0.00 C ATOM 326 CD ARG A 22 -1.810 -10.416 -2.133 1.00 0.00 C ATOM 327 NE ARG A 22 -1.614 -11.777 -1.559 1.00 0.00 N ATOM 328 CZ ARG A 22 -0.577 -12.490 -1.908 1.00 0.00 C ATOM 329 NH1 ARG A 22 -0.160 -12.473 -3.144 1.00 0.00 N ATOM 330 NH2 ARG A 22 0.043 -13.218 -1.021 1.00 0.00 N ATOM 0 H ARG A 22 -4.213 -10.604 -1.383 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.081 -8.002 -1.547 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.553 -9.228 -3.879 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.004 -8.410 -3.858 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.637 -11.246 -2.940 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.486 -10.741 -4.161 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.881 -10.058 -2.576 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.080 -9.712 -1.346 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.290 -12.152 -0.893 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.644 -11.903 -3.838 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.650 -13.030 -3.417 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.282 -13.231 -0.054 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.853 -13.775 -1.294 1.00 0.00 H new ATOM 344 N GLN A 23 -5.209 -6.657 -1.100 1.00 0.00 N ATOM 345 CA GLN A 23 -6.328 -5.675 -1.094 1.00 0.00 C ATOM 346 C GLN A 23 -6.010 -4.605 -0.051 1.00 0.00 C ATOM 347 O GLN A 23 -5.549 -4.906 1.031 1.00 0.00 O ATOM 348 CB GLN A 23 -7.638 -6.382 -0.732 1.00 0.00 C ATOM 349 CG GLN A 23 -7.470 -7.139 0.587 1.00 0.00 C ATOM 350 CD GLN A 23 -8.674 -8.058 0.804 1.00 0.00 C ATOM 351 OE1 GLN A 23 -8.805 -9.073 0.148 1.00 0.00 O ATOM 352 NE2 GLN A 23 -9.567 -7.744 1.702 1.00 0.00 N ATOM 0 H GLN A 23 -4.523 -6.526 -0.357 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.441 -5.222 -2.079 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.443 -5.653 -0.644 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.920 -7.074 -1.526 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.551 -7.724 0.568 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.383 -6.435 1.414 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.458 -6.893 2.253 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -10.374 -8.350 1.853 1.00 0.00 H new ATOM 361 N LEU A 24 -6.224 -3.359 -0.367 1.00 0.00 N ATOM 362 CA LEU A 24 -5.898 -2.291 0.610 1.00 0.00 C ATOM 363 C LEU A 24 -6.938 -1.178 0.537 1.00 0.00 C ATOM 364 O LEU A 24 -7.588 -0.983 -0.472 1.00 0.00 O ATOM 365 CB LEU A 24 -4.533 -1.704 0.258 1.00 0.00 C ATOM 366 CG LEU A 24 -3.427 -2.536 0.904 1.00 0.00 C ATOM 367 CD1 LEU A 24 -2.070 -2.112 0.338 1.00 0.00 C ATOM 368 CD2 LEU A 24 -3.442 -2.314 2.417 1.00 0.00 C ATOM 0 H LEU A 24 -6.609 -3.038 -1.255 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.890 -2.714 1.615 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.403 -1.687 -0.824 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.472 -0.672 0.602 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.594 -3.592 0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.281 -2.706 0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.060 -2.271 -0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.901 -1.057 0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.653 -2.907 2.880 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.275 -1.258 2.632 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.408 -2.618 2.820 1.00 0.00 H new ATOM 380 N THR A 25 -7.072 -0.420 1.589 1.00 0.00 N ATOM 381 CA THR A 25 -8.037 0.707 1.564 1.00 0.00 C ATOM 382 C THR A 25 -7.373 1.857 0.815 1.00 0.00 C ATOM 383 O THR A 25 -6.235 1.754 0.401 1.00 0.00 O ATOM 384 CB THR A 25 -8.364 1.139 2.997 1.00 0.00 C ATOM 385 OG1 THR A 25 -7.230 1.777 3.569 1.00 0.00 O ATOM 386 CG2 THR A 25 -8.735 -0.088 3.831 1.00 0.00 C ATOM 0 H THR A 25 -6.556 -0.534 2.461 1.00 0.00 H new ATOM 0 HA THR A 25 -8.965 0.413 1.074 1.00 0.00 H new ATOM 0 HB THR A 25 -9.204 1.833 2.983 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.439 2.055 4.485 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.967 0.221 4.850 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.605 -0.576 3.393 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.897 -0.785 3.846 1.00 0.00 H new ATOM 394 N LEU A 26 -8.049 2.949 0.628 1.00 0.00 N ATOM 395 CA LEU A 26 -7.403 4.073 -0.103 1.00 0.00 C ATOM 396 C LEU A 26 -6.161 4.517 0.673 1.00 0.00 C ATOM 397 O LEU A 26 -5.134 4.813 0.100 1.00 0.00 O ATOM 398 CB LEU A 26 -8.373 5.248 -0.249 1.00 0.00 C ATOM 399 CG LEU A 26 -8.166 5.899 -1.617 1.00 0.00 C ATOM 400 CD1 LEU A 26 -9.443 6.634 -2.029 1.00 0.00 C ATOM 401 CD2 LEU A 26 -7.010 6.899 -1.536 1.00 0.00 C ATOM 0 H LEU A 26 -9.005 3.115 0.942 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.120 3.739 -1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.402 4.901 -0.149 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.204 5.977 0.544 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.933 5.130 -2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.297 7.099 -3.004 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.269 5.925 -2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.674 7.403 -1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.862 7.364 -2.511 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.245 7.668 -0.800 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.099 6.379 -1.240 1.00 0.00 H new ATOM 413 N SER A 27 -6.248 4.559 1.975 1.00 0.00 N ATOM 414 CA SER A 27 -5.071 4.979 2.789 1.00 0.00 C ATOM 415 C SER A 27 -4.349 3.744 3.338 1.00 0.00 C ATOM 416 O SER A 27 -3.702 3.801 4.366 1.00 0.00 O ATOM 417 CB SER A 27 -5.547 5.842 3.955 1.00 0.00 C ATOM 418 OG SER A 27 -4.640 6.922 4.144 1.00 0.00 O ATOM 0 H SER A 27 -7.083 4.321 2.510 1.00 0.00 H new ATOM 0 HA SER A 27 -4.385 5.548 2.161 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.548 6.224 3.754 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.611 5.243 4.863 1.00 0.00 H new ATOM 0 HG SER A 27 -4.945 7.478 4.891 1.00 0.00 H new ATOM 424 N GLY A 28 -4.444 2.634 2.661 1.00 0.00 N ATOM 425 CA GLY A 28 -3.754 1.402 3.143 1.00 0.00 C ATOM 426 C GLY A 28 -2.480 1.215 2.332 1.00 0.00 C ATOM 427 O GLY A 28 -1.422 0.927 2.853 1.00 0.00 O ATOM 0 H GLY A 28 -4.970 2.525 1.794 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.519 1.490 4.204 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.405 0.535 3.032 1.00 0.00 H new ATOM 431 N ILE A 29 -2.593 1.388 1.050 1.00 0.00 N ATOM 432 CA ILE A 29 -1.423 1.241 0.154 1.00 0.00 C ATOM 433 C ILE A 29 -0.307 2.165 0.628 1.00 0.00 C ATOM 434 O ILE A 29 0.862 1.833 0.579 1.00 0.00 O ATOM 435 CB ILE A 29 -1.862 1.632 -1.254 1.00 0.00 C ATOM 436 CG1 ILE A 29 -0.707 1.427 -2.239 1.00 0.00 C ATOM 437 CG2 ILE A 29 -2.316 3.090 -1.268 1.00 0.00 C ATOM 438 CD1 ILE A 29 0.252 2.618 -2.181 1.00 0.00 C ATOM 0 H ILE A 29 -3.464 1.630 0.578 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.054 0.215 0.161 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.696 0.999 -1.557 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.173 0.508 -1.998 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.097 1.313 -3.250 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.628 3.364 -2.276 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.153 3.217 -0.581 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.491 3.731 -0.957 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.069 2.462 -2.885 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.284 3.530 -2.444 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.655 2.712 -1.173 1.00 0.00 H new ATOM 450 N TYR A 30 -0.667 3.328 1.072 1.00 0.00 N ATOM 451 CA TYR A 30 0.354 4.309 1.544 1.00 0.00 C ATOM 452 C TYR A 30 1.032 3.796 2.814 1.00 0.00 C ATOM 453 O TYR A 30 2.226 3.576 2.841 1.00 0.00 O ATOM 454 CB TYR A 30 -0.336 5.643 1.831 1.00 0.00 C ATOM 455 CG TYR A 30 -1.250 5.955 0.678 1.00 0.00 C ATOM 456 CD1 TYR A 30 -0.789 5.769 -0.622 1.00 0.00 C ATOM 457 CD2 TYR A 30 -2.552 6.407 0.902 1.00 0.00 C ATOM 458 CE1 TYR A 30 -1.623 6.028 -1.709 1.00 0.00 C ATOM 459 CE2 TYR A 30 -3.392 6.671 -0.187 1.00 0.00 C ATOM 460 CZ TYR A 30 -2.929 6.479 -1.493 1.00 0.00 C ATOM 461 OH TYR A 30 -3.759 6.734 -2.565 1.00 0.00 O ATOM 0 H TYR A 30 -1.633 3.650 1.131 1.00 0.00 H new ATOM 0 HA TYR A 30 1.113 4.441 0.773 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.902 5.586 2.761 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.403 6.434 1.956 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.220 5.422 -0.790 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.910 6.552 1.911 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.261 5.881 -2.716 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.399 7.023 -0.018 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.657 7.668 -2.842 1.00 0.00 H new ATOM 471 N ALA A 31 0.291 3.612 3.869 1.00 0.00 N ATOM 472 CA ALA A 31 0.911 3.125 5.133 1.00 0.00 C ATOM 473 C ALA A 31 1.585 1.770 4.899 1.00 0.00 C ATOM 474 O ALA A 31 2.404 1.334 5.683 1.00 0.00 O ATOM 475 CB ALA A 31 -0.170 2.980 6.206 1.00 0.00 C ATOM 0 H ALA A 31 -0.715 3.777 3.912 1.00 0.00 H new ATOM 0 HA ALA A 31 1.662 3.843 5.463 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.282 2.624 7.132 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.641 3.947 6.381 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.922 2.266 5.871 1.00 0.00 H new ATOM 481 N HIS A 32 1.248 1.096 3.832 1.00 0.00 N ATOM 482 CA HIS A 32 1.874 -0.231 3.564 1.00 0.00 C ATOM 483 C HIS A 32 3.286 -0.044 3.007 1.00 0.00 C ATOM 484 O HIS A 32 4.250 -0.544 3.548 1.00 0.00 O ATOM 485 CB HIS A 32 1.031 -0.995 2.546 1.00 0.00 C ATOM 486 CG HIS A 32 1.635 -2.355 2.332 1.00 0.00 C ATOM 487 ND1 HIS A 32 0.934 -3.524 2.578 1.00 0.00 N ATOM 488 CD2 HIS A 32 2.882 -2.747 1.909 1.00 0.00 C ATOM 489 CE1 HIS A 32 1.756 -4.555 2.308 1.00 0.00 C ATOM 490 NE2 HIS A 32 2.955 -4.137 1.895 1.00 0.00 N ATOM 0 H HIS A 32 0.569 1.406 3.137 1.00 0.00 H new ATOM 0 HA HIS A 32 1.927 -0.792 4.497 1.00 0.00 H new ATOM 0 HB2 HIS A 32 0.005 -1.090 2.902 1.00 0.00 H new ATOM 0 HB3 HIS A 32 0.991 -0.448 1.604 1.00 0.00 H new ATOM 0 HD2 HIS A 32 3.683 -2.079 1.630 1.00 0.00 H new ATOM 0 HE1 HIS A 32 1.479 -5.594 2.413 1.00 0.00 H new ATOM 0 HE2 HIS A 32 3.753 -4.713 1.627 1.00 0.00 H new ATOM 498 N ILE A 33 3.407 0.657 1.914 1.00 0.00 N ATOM 499 CA ILE A 33 4.751 0.868 1.297 1.00 0.00 C ATOM 500 C ILE A 33 5.665 1.639 2.247 1.00 0.00 C ATOM 501 O ILE A 33 6.872 1.504 2.208 1.00 0.00 O ATOM 502 CB ILE A 33 4.605 1.679 0.019 1.00 0.00 C ATOM 503 CG1 ILE A 33 3.797 2.943 0.305 1.00 0.00 C ATOM 504 CG2 ILE A 33 3.896 0.844 -1.048 1.00 0.00 C ATOM 505 CD1 ILE A 33 4.723 4.026 0.863 1.00 0.00 C ATOM 0 H ILE A 33 2.631 1.095 1.418 1.00 0.00 H new ATOM 0 HA ILE A 33 5.184 -0.110 1.085 1.00 0.00 H new ATOM 0 HB ILE A 33 5.594 1.957 -0.345 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.317 3.295 -0.608 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.003 2.726 1.019 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.794 1.431 -1.961 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.480 -0.053 -1.256 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.907 0.558 -0.689 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.146 4.928 1.067 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.182 3.672 1.786 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.501 4.250 0.134 1.00 0.00 H new ATOM 517 N THR A 34 5.107 2.457 3.087 1.00 0.00 N ATOM 518 CA THR A 34 5.958 3.243 4.024 1.00 0.00 C ATOM 519 C THR A 34 6.822 2.273 4.829 1.00 0.00 C ATOM 520 O THR A 34 7.835 2.642 5.391 1.00 0.00 O ATOM 521 CB THR A 34 5.071 4.050 4.974 1.00 0.00 C ATOM 522 OG1 THR A 34 4.071 3.200 5.518 1.00 0.00 O ATOM 523 CG2 THR A 34 4.410 5.199 4.210 1.00 0.00 C ATOM 0 H THR A 34 4.103 2.618 3.168 1.00 0.00 H new ATOM 0 HA THR A 34 6.592 3.930 3.463 1.00 0.00 H new ATOM 0 HB THR A 34 5.679 4.460 5.780 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.714 3.599 6.339 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.779 5.772 4.889 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.179 5.849 3.794 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.800 4.795 3.402 1.00 0.00 H new ATOM 531 N LYS A 35 6.437 1.028 4.867 1.00 0.00 N ATOM 532 CA LYS A 35 7.238 0.017 5.607 1.00 0.00 C ATOM 533 C LYS A 35 8.332 -0.515 4.679 1.00 0.00 C ATOM 534 O LYS A 35 9.428 -0.822 5.103 1.00 0.00 O ATOM 535 CB LYS A 35 6.329 -1.135 6.038 1.00 0.00 C ATOM 536 CG LYS A 35 6.557 -1.436 7.519 1.00 0.00 C ATOM 537 CD LYS A 35 7.410 -2.697 7.655 1.00 0.00 C ATOM 538 CE LYS A 35 8.844 -2.305 8.013 1.00 0.00 C ATOM 539 NZ LYS A 35 9.297 -3.102 9.188 1.00 0.00 N ATOM 0 H LYS A 35 5.597 0.667 4.414 1.00 0.00 H new ATOM 0 HA LYS A 35 7.687 0.470 6.491 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.285 -0.873 5.866 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.538 -2.021 5.439 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.054 -0.594 8.000 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.601 -1.574 8.025 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.996 -3.348 8.425 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.398 -3.260 6.722 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.504 -2.482 7.164 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.896 -1.240 8.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.272 -2.836 9.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.673 -2.912 9.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.262 -4.115 8.955 1.00 0.00 H new ATOM 553 N HIS A 36 8.037 -0.621 3.409 1.00 0.00 N ATOM 554 CA HIS A 36 9.052 -1.127 2.441 1.00 0.00 C ATOM 555 C HIS A 36 9.957 0.027 2.003 1.00 0.00 C ATOM 556 O HIS A 36 11.115 0.090 2.366 1.00 0.00 O ATOM 557 CB HIS A 36 8.343 -1.715 1.219 1.00 0.00 C ATOM 558 CG HIS A 36 7.949 -3.138 1.504 1.00 0.00 C ATOM 559 ND1 HIS A 36 8.816 -4.200 1.295 1.00 0.00 N ATOM 560 CD2 HIS A 36 6.788 -3.692 1.986 1.00 0.00 C ATOM 561 CE1 HIS A 36 8.170 -5.327 1.646 1.00 0.00 C ATOM 562 NE2 HIS A 36 6.930 -5.074 2.075 1.00 0.00 N ATOM 0 H HIS A 36 7.134 -0.378 3.001 1.00 0.00 H new ATOM 0 HA HIS A 36 9.655 -1.901 2.916 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.460 -1.123 0.978 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.000 -1.675 0.350 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.900 -3.139 2.255 1.00 0.00 H new ATOM 0 HE1 HIS A 36 8.601 -6.316 1.588 1.00 0.00 H new ATOM 0 HE2 HIS A 36 6.237 -5.749 2.398 1.00 0.00 H new ATOM 570 N TYR A 37 9.441 0.947 1.231 1.00 0.00 N ATOM 571 CA TYR A 37 10.281 2.093 0.784 1.00 0.00 C ATOM 572 C TYR A 37 10.363 3.121 1.924 1.00 0.00 C ATOM 573 O TYR A 37 9.354 3.476 2.502 1.00 0.00 O ATOM 574 CB TYR A 37 9.649 2.748 -0.449 1.00 0.00 C ATOM 575 CG TYR A 37 9.193 1.689 -1.421 1.00 0.00 C ATOM 576 CD1 TYR A 37 9.882 0.475 -1.519 1.00 0.00 C ATOM 577 CD2 TYR A 37 8.076 1.929 -2.227 1.00 0.00 C ATOM 578 CE1 TYR A 37 9.450 -0.502 -2.426 1.00 0.00 C ATOM 579 CE2 TYR A 37 7.644 0.955 -3.134 1.00 0.00 C ATOM 580 CZ TYR A 37 8.330 -0.260 -3.234 1.00 0.00 C ATOM 581 OH TYR A 37 7.904 -1.219 -4.129 1.00 0.00 O ATOM 0 H TYR A 37 8.479 0.953 0.893 1.00 0.00 H new ATOM 0 HA TYR A 37 11.280 1.739 0.527 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.803 3.366 -0.149 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.371 3.408 -0.930 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.745 0.291 -0.897 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.546 2.867 -2.149 1.00 0.00 H new ATOM 0 HE1 TYR A 37 9.979 -1.440 -2.503 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.781 1.141 -3.757 1.00 0.00 H new ATOM 0 HH TYR A 37 8.242 -1.005 -5.024 1.00 0.00 H new ATOM 591 N PRO A 38 11.562 3.557 2.225 1.00 0.00 N ATOM 592 CA PRO A 38 11.803 4.531 3.306 1.00 0.00 C ATOM 593 C PRO A 38 11.480 5.961 2.852 1.00 0.00 C ATOM 594 O PRO A 38 10.839 6.713 3.560 1.00 0.00 O ATOM 595 CB PRO A 38 13.299 4.379 3.593 1.00 0.00 C ATOM 596 CG PRO A 38 13.931 3.773 2.318 1.00 0.00 C ATOM 597 CD PRO A 38 12.785 3.120 1.523 1.00 0.00 C ATOM 0 HA PRO A 38 11.176 4.352 4.180 1.00 0.00 H new ATOM 0 HB2 PRO A 38 13.749 5.344 3.828 1.00 0.00 H new ATOM 0 HB3 PRO A 38 13.465 3.731 4.454 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.422 4.545 1.725 1.00 0.00 H new ATOM 0 HG3 PRO A 38 14.692 3.036 2.576 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.785 3.446 0.483 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.874 2.034 1.516 1.00 0.00 H new ATOM 605 N TYR A 39 11.930 6.351 1.690 1.00 0.00 N ATOM 606 CA TYR A 39 11.657 7.739 1.215 1.00 0.00 C ATOM 607 C TYR A 39 10.160 7.933 0.964 1.00 0.00 C ATOM 608 O TYR A 39 9.673 9.046 0.921 1.00 0.00 O ATOM 609 CB TYR A 39 12.428 8.003 -0.082 1.00 0.00 C ATOM 610 CG TYR A 39 12.016 9.345 -0.643 1.00 0.00 C ATOM 611 CD1 TYR A 39 10.816 9.464 -1.352 1.00 0.00 C ATOM 612 CD2 TYR A 39 12.828 10.469 -0.450 1.00 0.00 C ATOM 613 CE1 TYR A 39 10.426 10.704 -1.868 1.00 0.00 C ATOM 614 CE2 TYR A 39 12.438 11.711 -0.968 1.00 0.00 C ATOM 615 CZ TYR A 39 11.236 11.828 -1.676 1.00 0.00 C ATOM 616 OH TYR A 39 10.850 13.052 -2.184 1.00 0.00 O ATOM 0 H TYR A 39 12.473 5.771 1.050 1.00 0.00 H new ATOM 0 HA TYR A 39 11.981 8.440 1.984 1.00 0.00 H new ATOM 0 HB2 TYR A 39 13.501 7.990 0.110 1.00 0.00 H new ATOM 0 HB3 TYR A 39 12.224 7.215 -0.807 1.00 0.00 H new ATOM 0 HD1 TYR A 39 10.190 8.597 -1.501 1.00 0.00 H new ATOM 0 HD2 TYR A 39 13.754 10.379 0.098 1.00 0.00 H new ATOM 0 HE1 TYR A 39 9.499 10.794 -2.415 1.00 0.00 H new ATOM 0 HE2 TYR A 39 13.065 12.578 -0.821 1.00 0.00 H new ATOM 0 HH TYR A 39 11.525 13.726 -1.961 1.00 0.00 H new ATOM 626 N TYR A 40 9.423 6.870 0.790 1.00 0.00 N ATOM 627 CA TYR A 40 7.961 7.024 0.536 1.00 0.00 C ATOM 628 C TYR A 40 7.191 7.003 1.857 1.00 0.00 C ATOM 629 O TYR A 40 5.980 6.907 1.875 1.00 0.00 O ATOM 630 CB TYR A 40 7.472 5.892 -0.375 1.00 0.00 C ATOM 631 CG TYR A 40 7.061 6.455 -1.720 1.00 0.00 C ATOM 632 CD1 TYR A 40 7.665 7.622 -2.213 1.00 0.00 C ATOM 633 CD2 TYR A 40 6.074 5.811 -2.477 1.00 0.00 C ATOM 634 CE1 TYR A 40 7.284 8.139 -3.453 1.00 0.00 C ATOM 635 CE2 TYR A 40 5.695 6.332 -3.721 1.00 0.00 C ATOM 636 CZ TYR A 40 6.299 7.495 -4.208 1.00 0.00 C ATOM 637 OH TYR A 40 5.926 8.006 -5.432 1.00 0.00 O ATOM 0 H TYR A 40 9.765 5.909 0.812 1.00 0.00 H new ATOM 0 HA TYR A 40 7.785 7.981 0.044 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.262 5.152 -0.506 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.629 5.379 0.088 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.426 8.121 -1.632 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.605 4.913 -2.102 1.00 0.00 H new ATOM 0 HE1 TYR A 40 7.751 9.037 -3.829 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.935 5.834 -4.305 1.00 0.00 H new ATOM 0 HH TYR A 40 5.176 7.486 -5.789 1.00 0.00 H new ATOM 647 N ARG A 41 7.874 7.116 2.965 1.00 0.00 N ATOM 648 CA ARG A 41 7.155 7.125 4.269 1.00 0.00 C ATOM 649 C ARG A 41 6.262 8.365 4.314 1.00 0.00 C ATOM 650 O ARG A 41 5.099 8.298 4.657 1.00 0.00 O ATOM 651 CB ARG A 41 8.164 7.178 5.419 1.00 0.00 C ATOM 652 CG ARG A 41 7.420 7.417 6.734 1.00 0.00 C ATOM 653 CD ARG A 41 8.079 6.603 7.847 1.00 0.00 C ATOM 654 NE ARG A 41 9.545 6.862 7.847 1.00 0.00 N ATOM 655 CZ ARG A 41 10.327 6.196 8.652 1.00 0.00 C ATOM 656 NH1 ARG A 41 10.463 4.906 8.511 1.00 0.00 N ATOM 657 NH2 ARG A 41 10.974 6.821 9.597 1.00 0.00 N ATOM 0 H ARG A 41 8.889 7.202 3.023 1.00 0.00 H new ATOM 0 HA ARG A 41 6.555 6.221 4.371 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.724 6.245 5.469 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.887 7.975 5.247 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.436 8.477 6.986 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.374 7.130 6.630 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.651 6.873 8.812 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.886 5.540 7.699 1.00 0.00 H new ATOM 0 HE ARG A 41 9.939 7.561 7.217 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.958 4.418 7.771 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.074 4.386 9.140 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.868 7.830 9.706 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.585 6.301 10.226 1.00 0.00 H new ATOM 671 N THR A 42 6.804 9.496 3.950 1.00 0.00 N ATOM 672 CA THR A 42 6.002 10.751 3.946 1.00 0.00 C ATOM 673 C THR A 42 6.212 11.458 2.606 1.00 0.00 C ATOM 674 O THR A 42 6.742 12.549 2.542 1.00 0.00 O ATOM 675 CB THR A 42 6.464 11.663 5.085 1.00 0.00 C ATOM 676 OG1 THR A 42 5.813 12.921 4.975 1.00 0.00 O ATOM 677 CG2 THR A 42 7.978 11.864 5.000 1.00 0.00 C ATOM 0 H THR A 42 7.774 9.604 3.654 1.00 0.00 H new ATOM 0 HA THR A 42 4.946 10.518 4.086 1.00 0.00 H new ATOM 0 HB THR A 42 6.214 11.204 6.041 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.124 13.381 4.167 1.00 0.00 H new ATOM 0 HG21 THR A 42 8.305 12.514 5.812 1.00 0.00 H new ATOM 0 HG22 THR A 42 8.478 10.899 5.083 1.00 0.00 H new ATOM 0 HG23 THR A 42 8.231 12.323 4.044 1.00 0.00 H new ATOM 685 N ALA A 43 5.809 10.834 1.532 1.00 0.00 N ATOM 686 CA ALA A 43 5.993 11.456 0.190 1.00 0.00 C ATOM 687 C ALA A 43 5.255 12.796 0.136 1.00 0.00 C ATOM 688 O ALA A 43 4.777 13.294 1.135 1.00 0.00 O ATOM 689 CB ALA A 43 5.432 10.521 -0.884 1.00 0.00 C ATOM 0 H ALA A 43 5.359 9.918 1.527 1.00 0.00 H new ATOM 0 HA ALA A 43 7.055 11.623 0.012 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.565 10.974 -1.866 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.960 9.568 -0.849 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.370 10.354 -0.703 1.00 0.00 H new ATOM 695 N ASP A 44 5.164 13.383 -1.027 1.00 0.00 N ATOM 696 CA ASP A 44 4.462 14.690 -1.153 1.00 0.00 C ATOM 697 C ASP A 44 3.071 14.466 -1.754 1.00 0.00 C ATOM 698 O ASP A 44 2.564 13.362 -1.770 1.00 0.00 O ATOM 699 CB ASP A 44 5.270 15.614 -2.066 1.00 0.00 C ATOM 700 CG ASP A 44 6.764 15.325 -1.894 1.00 0.00 C ATOM 701 OD1 ASP A 44 7.155 14.974 -0.793 1.00 0.00 O ATOM 702 OD2 ASP A 44 7.489 15.462 -2.865 1.00 0.00 O ATOM 0 H ASP A 44 5.547 13.012 -1.896 1.00 0.00 H new ATOM 0 HA ASP A 44 4.362 15.147 -0.169 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.977 15.463 -3.105 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.060 16.656 -1.824 1.00 0.00 H new ATOM 707 N LYS A 45 2.448 15.501 -2.249 1.00 0.00 N ATOM 708 CA LYS A 45 1.093 15.338 -2.845 1.00 0.00 C ATOM 709 C LYS A 45 1.219 14.946 -4.320 1.00 0.00 C ATOM 710 O LYS A 45 1.330 15.788 -5.190 1.00 0.00 O ATOM 711 CB LYS A 45 0.323 16.654 -2.728 1.00 0.00 C ATOM 712 CG LYS A 45 -0.865 16.465 -1.783 1.00 0.00 C ATOM 713 CD LYS A 45 -1.112 17.759 -1.008 1.00 0.00 C ATOM 714 CE LYS A 45 -0.147 17.839 0.174 1.00 0.00 C ATOM 715 NZ LYS A 45 0.983 18.749 -0.169 1.00 0.00 N ATOM 0 H LYS A 45 2.819 16.451 -2.266 1.00 0.00 H new ATOM 0 HA LYS A 45 0.556 14.554 -2.311 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.979 17.440 -2.353 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.026 16.972 -3.710 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.755 16.193 -2.351 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.666 15.647 -1.091 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.973 18.619 -1.663 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.142 17.791 -0.653 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.668 18.206 1.059 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.232 16.846 0.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.782 18.190 -0.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.676 19.424 -0.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.281 19.269 0.681 1.00 0.00 H new ATOM 729 N GLY A 46 1.199 13.673 -4.606 1.00 0.00 N ATOM 730 CA GLY A 46 1.309 13.212 -6.019 1.00 0.00 C ATOM 731 C GLY A 46 0.801 11.772 -6.092 1.00 0.00 C ATOM 732 O GLY A 46 -0.219 11.488 -6.688 1.00 0.00 O ATOM 0 H GLY A 46 1.110 12.927 -3.916 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.723 13.856 -6.676 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.344 13.268 -6.358 1.00 0.00 H new ATOM 736 N TRP A 47 1.505 10.865 -5.478 1.00 0.00 N ATOM 737 CA TRP A 47 1.069 9.442 -5.488 1.00 0.00 C ATOM 738 C TRP A 47 -0.168 9.271 -4.608 1.00 0.00 C ATOM 739 O TRP A 47 -0.973 8.403 -4.836 1.00 0.00 O ATOM 740 CB TRP A 47 2.196 8.566 -4.955 1.00 0.00 C ATOM 741 CG TRP A 47 2.324 8.741 -3.474 1.00 0.00 C ATOM 742 CD1 TRP A 47 2.424 9.927 -2.825 1.00 0.00 C ATOM 743 CD2 TRP A 47 2.367 7.712 -2.452 1.00 0.00 C ATOM 744 NE1 TRP A 47 2.550 9.684 -1.470 1.00 0.00 N ATOM 745 CE2 TRP A 47 2.518 8.332 -1.189 1.00 0.00 C ATOM 746 CE3 TRP A 47 2.296 6.312 -2.502 1.00 0.00 C ATOM 747 CZ2 TRP A 47 2.601 7.584 -0.015 1.00 0.00 C ATOM 748 CZ3 TRP A 47 2.377 5.556 -1.327 1.00 0.00 C ATOM 749 CH2 TRP A 47 2.531 6.188 -0.084 1.00 0.00 C ATOM 0 H TRP A 47 2.368 11.049 -4.967 1.00 0.00 H new ATOM 0 HA TRP A 47 0.825 9.147 -6.509 1.00 0.00 H new ATOM 0 HB2 TRP A 47 1.997 7.520 -5.190 1.00 0.00 H new ATOM 0 HB3 TRP A 47 3.134 8.830 -5.443 1.00 0.00 H new ATOM 0 HD1 TRP A 47 2.408 10.902 -3.290 1.00 0.00 H new ATOM 0 HE1 TRP A 47 2.654 10.413 -0.765 1.00 0.00 H new ATOM 0 HE3 TRP A 47 2.178 5.814 -3.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 2.718 8.077 0.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 2.321 4.479 -1.378 1.00 0.00 H new ATOM 0 HH2 TRP A 47 2.595 5.598 0.818 1.00 0.00 H new ATOM 760 N GLN A 48 -0.325 10.092 -3.607 1.00 0.00 N ATOM 761 CA GLN A 48 -1.532 9.969 -2.728 1.00 0.00 C ATOM 762 C GLN A 48 -2.768 9.674 -3.600 1.00 0.00 C ATOM 763 O GLN A 48 -3.086 8.536 -3.867 1.00 0.00 O ATOM 764 CB GLN A 48 -1.783 11.263 -1.914 1.00 0.00 C ATOM 765 CG GLN A 48 -0.892 12.432 -2.378 1.00 0.00 C ATOM 766 CD GLN A 48 -1.433 13.046 -3.677 1.00 0.00 C ATOM 767 OE1 GLN A 48 -1.857 14.186 -3.686 1.00 0.00 O ATOM 768 NE2 GLN A 48 -1.441 12.346 -4.781 1.00 0.00 N ATOM 0 H GLN A 48 0.323 10.839 -3.357 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.354 9.155 -2.025 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -2.831 11.549 -2.006 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.598 11.066 -0.858 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -0.850 13.194 -1.600 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.127 12.079 -2.534 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.087 11.389 -4.781 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.801 12.756 -5.643 1.00 0.00 H new ATOM 777 N ASN A 49 -3.469 10.684 -4.045 1.00 0.00 N ATOM 778 CA ASN A 49 -4.675 10.447 -4.895 1.00 0.00 C ATOM 779 C ASN A 49 -4.276 9.730 -6.190 1.00 0.00 C ATOM 780 O ASN A 49 -4.962 8.839 -6.645 1.00 0.00 O ATOM 781 CB ASN A 49 -5.324 11.789 -5.239 1.00 0.00 C ATOM 782 CG ASN A 49 -6.512 11.557 -6.172 1.00 0.00 C ATOM 783 OD1 ASN A 49 -7.250 10.606 -6.010 1.00 0.00 O ATOM 784 ND2 ASN A 49 -6.728 12.391 -7.152 1.00 0.00 N ATOM 0 H ASN A 49 -3.259 11.664 -3.857 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.381 9.824 -4.346 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.655 12.289 -4.329 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.596 12.445 -5.716 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.517 12.244 -7.782 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -6.108 13.190 -7.288 1.00 0.00 H new ATOM 791 N SER A 50 -3.180 10.108 -6.790 1.00 0.00 N ATOM 792 CA SER A 50 -2.756 9.439 -8.056 1.00 0.00 C ATOM 793 C SER A 50 -2.689 7.923 -7.838 1.00 0.00 C ATOM 794 O SER A 50 -2.720 7.148 -8.773 1.00 0.00 O ATOM 795 CB SER A 50 -1.376 9.954 -8.469 1.00 0.00 C ATOM 796 OG SER A 50 -1.053 9.447 -9.757 1.00 0.00 O ATOM 0 H SER A 50 -2.561 10.849 -6.461 1.00 0.00 H new ATOM 0 HA SER A 50 -3.478 9.662 -8.842 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.371 11.044 -8.482 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.626 9.641 -7.743 1.00 0.00 H new ATOM 0 HG SER A 50 -0.170 9.776 -10.026 1.00 0.00 H new ATOM 802 N ILE A 51 -2.611 7.502 -6.608 1.00 0.00 N ATOM 803 CA ILE A 51 -2.550 6.044 -6.306 1.00 0.00 C ATOM 804 C ILE A 51 -3.969 5.476 -6.386 1.00 0.00 C ATOM 805 O ILE A 51 -4.241 4.585 -7.160 1.00 0.00 O ATOM 806 CB ILE A 51 -1.967 5.849 -4.887 1.00 0.00 C ATOM 807 CG1 ILE A 51 -0.437 5.672 -4.926 1.00 0.00 C ATOM 808 CG2 ILE A 51 -2.579 4.616 -4.209 1.00 0.00 C ATOM 809 CD1 ILE A 51 -0.009 4.883 -6.159 1.00 0.00 C ATOM 0 H ILE A 51 -2.587 8.111 -5.790 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.912 5.525 -7.021 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.213 6.746 -4.319 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.046 6.649 -4.930 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.104 5.155 -4.026 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.153 4.500 -3.212 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.659 4.743 -4.130 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.360 3.728 -4.803 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.075 4.773 -6.162 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.474 3.897 -6.140 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.322 5.414 -7.058 1.00 0.00 H new ATOM 821 N ARG A 52 -4.879 5.994 -5.604 1.00 0.00 N ATOM 822 CA ARG A 52 -6.275 5.481 -5.661 1.00 0.00 C ATOM 823 C ARG A 52 -6.705 5.440 -7.125 1.00 0.00 C ATOM 824 O ARG A 52 -7.426 4.563 -7.558 1.00 0.00 O ATOM 825 CB ARG A 52 -7.196 6.421 -4.880 1.00 0.00 C ATOM 826 CG ARG A 52 -8.656 6.087 -5.193 1.00 0.00 C ATOM 827 CD ARG A 52 -9.347 7.312 -5.794 1.00 0.00 C ATOM 828 NE ARG A 52 -10.789 7.297 -5.425 1.00 0.00 N ATOM 829 CZ ARG A 52 -11.523 8.360 -5.605 1.00 0.00 C ATOM 830 NH1 ARG A 52 -11.549 8.947 -6.771 1.00 0.00 N ATOM 831 NH2 ARG A 52 -12.232 8.835 -4.619 1.00 0.00 N ATOM 0 H ARG A 52 -4.716 6.745 -4.933 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.333 4.485 -5.222 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.011 6.322 -3.810 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.985 7.457 -5.145 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.706 5.250 -5.890 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -9.171 5.776 -4.284 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.876 8.225 -5.428 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.238 7.309 -6.879 1.00 0.00 H new ATOM 0 HE ARG A 52 -11.204 6.453 -5.030 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.995 8.574 -7.542 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.123 9.778 -6.911 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.212 8.375 -3.709 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.807 9.666 -4.758 1.00 0.00 H new ATOM 845 N HIS A 53 -6.248 6.392 -7.888 1.00 0.00 N ATOM 846 CA HIS A 53 -6.593 6.447 -9.333 1.00 0.00 C ATOM 847 C HIS A 53 -5.785 5.393 -10.098 1.00 0.00 C ATOM 848 O HIS A 53 -6.249 4.816 -11.061 1.00 0.00 O ATOM 849 CB HIS A 53 -6.239 7.838 -9.862 1.00 0.00 C ATOM 850 CG HIS A 53 -7.225 8.242 -10.924 1.00 0.00 C ATOM 851 ND1 HIS A 53 -7.748 7.335 -11.831 1.00 0.00 N ATOM 852 CD2 HIS A 53 -7.791 9.454 -11.235 1.00 0.00 C ATOM 853 CE1 HIS A 53 -8.589 8.009 -12.637 1.00 0.00 C ATOM 854 NE2 HIS A 53 -8.653 9.305 -12.317 1.00 0.00 N ATOM 0 H HIS A 53 -5.641 7.145 -7.565 1.00 0.00 H new ATOM 0 HA HIS A 53 -7.656 6.249 -9.469 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -6.251 8.562 -9.047 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -5.229 7.836 -10.272 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -7.597 10.382 -10.718 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.145 7.557 -13.445 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.213 10.028 -12.768 1.00 0.00 H new ATOM 862 N ASN A 54 -4.569 5.161 -9.688 1.00 0.00 N ATOM 863 CA ASN A 54 -3.707 4.173 -10.395 1.00 0.00 C ATOM 864 C ASN A 54 -4.249 2.746 -10.241 1.00 0.00 C ATOM 865 O ASN A 54 -4.114 1.935 -11.137 1.00 0.00 O ATOM 866 CB ASN A 54 -2.293 4.226 -9.806 1.00 0.00 C ATOM 867 CG ASN A 54 -1.490 5.339 -10.482 1.00 0.00 C ATOM 868 OD1 ASN A 54 -1.526 5.483 -11.689 1.00 0.00 O ATOM 869 ND2 ASN A 54 -0.762 6.137 -9.750 1.00 0.00 N ATOM 0 H ASN A 54 -4.132 5.617 -8.887 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.697 4.430 -11.454 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.343 4.403 -8.732 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.794 3.267 -9.948 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.222 6.882 -10.190 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.732 6.015 -8.738 1.00 0.00 H new ATOM 876 N LEU A 55 -4.825 2.405 -9.118 1.00 0.00 N ATOM 877 CA LEU A 55 -5.313 1.003 -8.961 1.00 0.00 C ATOM 878 C LEU A 55 -6.602 0.807 -9.762 1.00 0.00 C ATOM 879 O LEU A 55 -7.105 -0.293 -9.881 1.00 0.00 O ATOM 880 CB LEU A 55 -5.577 0.646 -7.485 1.00 0.00 C ATOM 881 CG LEU A 55 -4.580 1.321 -6.525 1.00 0.00 C ATOM 882 CD1 LEU A 55 -3.268 1.683 -7.229 1.00 0.00 C ATOM 883 CD2 LEU A 55 -5.228 2.576 -5.945 1.00 0.00 C ATOM 0 H LEU A 55 -4.977 3.021 -8.319 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.531 0.343 -9.336 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.591 0.944 -7.219 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.520 -0.435 -7.361 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.336 0.618 -5.728 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.592 2.157 -6.517 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.805 0.778 -7.622 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.473 2.372 -8.049 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.531 3.063 -5.263 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.483 3.261 -6.754 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.133 2.301 -5.404 1.00 0.00 H new ATOM 895 N SER A 56 -7.148 1.857 -10.311 1.00 0.00 N ATOM 896 CA SER A 56 -8.406 1.713 -11.097 1.00 0.00 C ATOM 897 C SER A 56 -8.069 1.463 -12.566 1.00 0.00 C ATOM 898 O SER A 56 -8.513 0.504 -13.164 1.00 0.00 O ATOM 899 CB SER A 56 -9.232 2.995 -10.976 1.00 0.00 C ATOM 900 OG SER A 56 -8.801 3.726 -9.836 1.00 0.00 O ATOM 0 H SER A 56 -6.779 2.806 -10.250 1.00 0.00 H new ATOM 0 HA SER A 56 -8.979 0.871 -10.709 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.118 3.601 -11.875 1.00 0.00 H new ATOM 0 HB3 SER A 56 -10.291 2.752 -10.887 1.00 0.00 H new ATOM 0 HG SER A 56 -9.327 4.549 -9.757 1.00 0.00 H new ATOM 906 N LEU A 57 -7.295 2.331 -13.151 1.00 0.00 N ATOM 907 CA LEU A 57 -6.931 2.168 -14.583 1.00 0.00 C ATOM 908 C LEU A 57 -5.645 1.350 -14.714 1.00 0.00 C ATOM 909 O LEU A 57 -5.054 1.280 -15.774 1.00 0.00 O ATOM 910 CB LEU A 57 -6.707 3.548 -15.191 1.00 0.00 C ATOM 911 CG LEU A 57 -5.530 4.224 -14.487 1.00 0.00 C ATOM 912 CD1 LEU A 57 -4.295 4.160 -15.385 1.00 0.00 C ATOM 913 CD2 LEU A 57 -5.879 5.687 -14.207 1.00 0.00 C ATOM 0 H LEU A 57 -6.896 3.152 -12.695 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.736 1.648 -15.102 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.505 3.460 -16.259 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.606 4.155 -15.086 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.324 3.711 -13.548 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.455 4.642 -14.884 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.047 3.118 -15.589 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.501 4.674 -16.324 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.041 6.171 -13.705 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.083 6.199 -15.147 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.761 5.735 -13.569 1.00 0.00 H new ATOM 925 N ASN A 58 -5.196 0.738 -13.655 1.00 0.00 N ATOM 926 CA ASN A 58 -3.936 -0.060 -13.750 1.00 0.00 C ATOM 927 C ASN A 58 -4.173 -1.292 -14.624 1.00 0.00 C ATOM 928 O ASN A 58 -5.251 -1.498 -15.144 1.00 0.00 O ATOM 929 CB ASN A 58 -3.461 -0.497 -12.360 1.00 0.00 C ATOM 930 CG ASN A 58 -2.066 0.080 -12.107 1.00 0.00 C ATOM 931 OD1 ASN A 58 -1.157 -0.637 -11.738 1.00 0.00 O ATOM 932 ND2 ASN A 58 -1.857 1.356 -12.292 1.00 0.00 N ATOM 0 H ASN A 58 -5.639 0.753 -12.736 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.164 0.565 -14.198 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.157 -0.148 -11.597 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.436 -1.585 -12.295 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -0.931 1.750 -12.127 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.620 1.958 -12.602 1.00 0.00 H new ATOM 939 N ARG A 59 -3.166 -2.103 -14.807 1.00 0.00 N ATOM 940 CA ARG A 59 -3.325 -3.310 -15.668 1.00 0.00 C ATOM 941 C ARG A 59 -3.774 -4.518 -14.838 1.00 0.00 C ATOM 942 O ARG A 59 -4.308 -5.472 -15.368 1.00 0.00 O ATOM 943 CB ARG A 59 -1.990 -3.630 -16.342 1.00 0.00 C ATOM 944 CG ARG A 59 -0.855 -3.486 -15.327 1.00 0.00 C ATOM 945 CD ARG A 59 0.233 -4.517 -15.630 1.00 0.00 C ATOM 946 NE ARG A 59 0.398 -4.647 -17.105 1.00 0.00 N ATOM 947 CZ ARG A 59 1.594 -4.646 -17.630 1.00 0.00 C ATOM 948 NH1 ARG A 59 2.474 -3.765 -17.244 1.00 0.00 N ATOM 949 NH2 ARG A 59 1.907 -5.528 -18.541 1.00 0.00 N ATOM 0 H ARG A 59 -2.240 -1.982 -14.397 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.086 -3.102 -16.420 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.007 -4.644 -16.742 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.826 -2.958 -17.184 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.439 -2.479 -15.370 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.236 -3.630 -14.316 1.00 0.00 H new ATOM 0 HD2 ARG A 59 1.175 -4.212 -15.174 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.034 -5.481 -15.197 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.422 -4.737 -17.704 1.00 0.00 H new ATOM 0 HH11 ARG A 59 2.228 -3.077 -16.532 1.00 0.00 H new ATOM 0 HH12 ARG A 59 3.408 -3.764 -17.654 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.218 -6.217 -18.842 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.841 -5.528 -18.951 1.00 0.00 H new ATOM 963 N TYR A 60 -3.560 -4.504 -13.549 1.00 0.00 N ATOM 964 CA TYR A 60 -3.979 -5.679 -12.728 1.00 0.00 C ATOM 965 C TYR A 60 -4.794 -5.240 -11.517 1.00 0.00 C ATOM 966 O TYR A 60 -5.380 -6.053 -10.839 1.00 0.00 O ATOM 967 CB TYR A 60 -2.754 -6.447 -12.232 1.00 0.00 C ATOM 968 CG TYR A 60 -1.561 -5.527 -12.105 1.00 0.00 C ATOM 969 CD1 TYR A 60 -1.659 -4.303 -11.423 1.00 0.00 C ATOM 970 CD2 TYR A 60 -0.346 -5.908 -12.678 1.00 0.00 C ATOM 971 CE1 TYR A 60 -0.536 -3.473 -11.325 1.00 0.00 C ATOM 972 CE2 TYR A 60 0.771 -5.080 -12.579 1.00 0.00 C ATOM 973 CZ TYR A 60 0.679 -3.861 -11.903 1.00 0.00 C ATOM 974 OH TYR A 60 1.783 -3.039 -11.806 1.00 0.00 O ATOM 0 H TYR A 60 -3.120 -3.742 -13.034 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.591 -6.319 -13.364 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.972 -6.904 -11.267 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -2.522 -7.257 -12.923 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.596 -4.004 -10.977 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.271 -6.850 -13.201 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.607 -2.531 -10.802 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.707 -5.381 -13.025 1.00 0.00 H new ATOM 0 HH TYR A 60 2.544 -3.458 -12.260 1.00 0.00 H new ATOM 984 N PHE A 61 -4.835 -3.979 -11.220 1.00 0.00 N ATOM 985 CA PHE A 61 -5.614 -3.545 -10.031 1.00 0.00 C ATOM 986 C PHE A 61 -7.102 -3.502 -10.383 1.00 0.00 C ATOM 987 O PHE A 61 -7.479 -3.503 -11.539 1.00 0.00 O ATOM 988 CB PHE A 61 -5.128 -2.169 -9.588 1.00 0.00 C ATOM 989 CG PHE A 61 -3.726 -2.305 -9.034 1.00 0.00 C ATOM 990 CD1 PHE A 61 -3.413 -3.348 -8.153 1.00 0.00 C ATOM 991 CD2 PHE A 61 -2.734 -1.401 -9.416 1.00 0.00 C ATOM 992 CE1 PHE A 61 -2.112 -3.475 -7.657 1.00 0.00 C ATOM 993 CE2 PHE A 61 -1.436 -1.530 -8.923 1.00 0.00 C ATOM 994 CZ PHE A 61 -1.124 -2.567 -8.044 1.00 0.00 C ATOM 0 H PHE A 61 -4.370 -3.235 -11.740 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.470 -4.251 -9.213 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.136 -1.476 -10.430 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.796 -1.758 -8.830 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.176 -4.053 -7.857 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.973 -0.597 -10.097 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.871 -4.276 -6.974 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.672 -0.827 -9.222 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.119 -2.668 -7.663 1.00 0.00 H new ATOM 1004 N ILE A 62 -7.949 -3.484 -9.393 1.00 0.00 N ATOM 1005 CA ILE A 62 -9.414 -3.464 -9.657 1.00 0.00 C ATOM 1006 C ILE A 62 -10.134 -2.756 -8.502 1.00 0.00 C ATOM 1007 O ILE A 62 -9.514 -2.263 -7.580 1.00 0.00 O ATOM 1008 CB ILE A 62 -9.924 -4.914 -9.789 1.00 0.00 C ATOM 1009 CG1 ILE A 62 -10.248 -5.494 -8.406 1.00 0.00 C ATOM 1010 CG2 ILE A 62 -8.847 -5.785 -10.441 1.00 0.00 C ATOM 1011 CD1 ILE A 62 -10.670 -6.956 -8.554 1.00 0.00 C ATOM 0 H ILE A 62 -7.688 -3.482 -8.407 1.00 0.00 H new ATOM 0 HA ILE A 62 -9.616 -2.925 -10.583 1.00 0.00 H new ATOM 0 HB ILE A 62 -10.825 -4.906 -10.403 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.377 -5.420 -7.755 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -11.046 -4.919 -7.937 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -9.212 -6.808 -10.532 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -8.613 -5.394 -11.431 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.948 -5.774 -9.825 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -10.900 -7.369 -7.572 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -11.553 -7.017 -9.190 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -9.858 -7.525 -9.006 1.00 0.00 H new ATOM 1023 N LYS A 63 -11.438 -2.716 -8.539 1.00 0.00 N ATOM 1024 CA LYS A 63 -12.197 -2.055 -7.439 1.00 0.00 C ATOM 1025 C LYS A 63 -13.270 -3.019 -6.926 1.00 0.00 C ATOM 1026 O LYS A 63 -13.917 -3.705 -7.693 1.00 0.00 O ATOM 1027 CB LYS A 63 -12.856 -0.776 -7.960 1.00 0.00 C ATOM 1028 CG LYS A 63 -11.882 0.395 -7.811 1.00 0.00 C ATOM 1029 CD LYS A 63 -12.601 1.706 -8.131 1.00 0.00 C ATOM 1030 CE LYS A 63 -12.791 2.511 -6.844 1.00 0.00 C ATOM 1031 NZ LYS A 63 -11.466 2.991 -6.357 1.00 0.00 N ATOM 0 H LYS A 63 -12.011 -3.113 -9.284 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.517 -1.796 -6.627 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.137 -0.899 -9.006 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.772 -0.574 -7.405 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -11.486 0.424 -6.796 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.033 0.262 -8.481 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -12.023 2.284 -8.852 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.568 1.500 -8.590 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.452 3.358 -7.027 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.268 1.893 -6.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.592 3.872 -5.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.039 2.268 -5.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.841 3.168 -7.169 1.00 0.00 H new ATOM 1045 N VAL A 64 -13.458 -3.087 -5.637 1.00 0.00 N ATOM 1046 CA VAL A 64 -14.482 -4.019 -5.081 1.00 0.00 C ATOM 1047 C VAL A 64 -15.887 -3.534 -5.446 1.00 0.00 C ATOM 1048 O VAL A 64 -16.127 -2.346 -5.537 1.00 0.00 O ATOM 1049 CB VAL A 64 -14.353 -4.077 -3.558 1.00 0.00 C ATOM 1050 CG1 VAL A 64 -12.914 -4.434 -3.180 1.00 0.00 C ATOM 1051 CG2 VAL A 64 -14.717 -2.713 -2.966 1.00 0.00 C ATOM 0 H VAL A 64 -12.948 -2.539 -4.944 1.00 0.00 H new ATOM 0 HA VAL A 64 -14.320 -5.011 -5.503 1.00 0.00 H new ATOM 0 HB VAL A 64 -15.028 -4.836 -3.163 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -12.822 -4.475 -2.095 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -12.657 -5.405 -3.603 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -12.236 -3.676 -3.573 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -14.626 -2.751 -1.880 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -14.042 -1.953 -3.360 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -15.743 -2.462 -3.235 1.00 0.00 H new ATOM 1218 N PHE A 76 -12.876 0.180 -0.728 1.00 0.00 N ATOM 1219 CA PHE A 76 -11.824 -0.871 -0.621 1.00 0.00 C ATOM 1220 C PHE A 76 -11.468 -1.383 -2.014 1.00 0.00 C ATOM 1221 O PHE A 76 -12.271 -1.996 -2.687 1.00 0.00 O ATOM 1222 CB PHE A 76 -12.341 -2.037 0.221 1.00 0.00 C ATOM 1223 CG PHE A 76 -11.241 -2.537 1.124 1.00 0.00 C ATOM 1224 CD1 PHE A 76 -10.038 -2.994 0.573 1.00 0.00 C ATOM 1225 CD2 PHE A 76 -11.425 -2.547 2.511 1.00 0.00 C ATOM 1226 CE1 PHE A 76 -9.018 -3.461 1.410 1.00 0.00 C ATOM 1227 CE2 PHE A 76 -10.405 -3.013 3.349 1.00 0.00 C ATOM 1228 CZ PHE A 76 -9.201 -3.471 2.799 1.00 0.00 C ATOM 0 HA PHE A 76 -10.940 -0.442 -0.148 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -13.197 -1.718 0.816 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -12.687 -2.842 -0.428 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -9.897 -2.986 -0.498 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -12.354 -2.195 2.935 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -8.090 -3.814 0.985 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.546 -3.019 4.420 1.00 0.00 H new ATOM 0 HZ PHE A 76 -8.414 -3.832 3.445 1.00 0.00 H new ATOM 1238 N TRP A 77 -10.267 -1.140 -2.452 1.00 0.00 N ATOM 1239 CA TRP A 77 -9.853 -1.617 -3.798 1.00 0.00 C ATOM 1240 C TRP A 77 -8.821 -2.748 -3.623 1.00 0.00 C ATOM 1241 O TRP A 77 -8.199 -2.864 -2.585 1.00 0.00 O ATOM 1242 CB TRP A 77 -9.239 -0.440 -4.562 1.00 0.00 C ATOM 1243 CG TRP A 77 -7.887 -0.163 -4.012 1.00 0.00 C ATOM 1244 CD1 TRP A 77 -7.600 0.689 -3.001 1.00 0.00 C ATOM 1245 CD2 TRP A 77 -6.638 -0.749 -4.425 1.00 0.00 C ATOM 1246 NE1 TRP A 77 -6.236 0.655 -2.770 1.00 0.00 N ATOM 1247 CE2 TRP A 77 -5.600 -0.221 -3.628 1.00 0.00 C ATOM 1248 CE3 TRP A 77 -6.313 -1.686 -5.413 1.00 0.00 C ATOM 1249 CZ2 TRP A 77 -4.277 -0.613 -3.809 1.00 0.00 C ATOM 1250 CZ3 TRP A 77 -4.991 -2.083 -5.598 1.00 0.00 C ATOM 1251 CH2 TRP A 77 -3.976 -1.550 -4.801 1.00 0.00 C ATOM 0 H TRP A 77 -9.552 -0.630 -1.934 1.00 0.00 H new ATOM 0 HA TRP A 77 -10.706 -2.000 -4.358 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -9.173 -0.673 -5.625 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -9.872 0.442 -4.468 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -8.315 1.294 -2.464 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -5.760 1.207 -2.056 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -7.091 -2.103 -6.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -3.494 -0.199 -3.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -4.750 -2.807 -6.362 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -2.954 -1.863 -4.952 1.00 0.00 H new ATOM 1262 N ARG A 78 -8.639 -3.590 -4.609 1.00 0.00 N ATOM 1263 CA ARG A 78 -7.651 -4.707 -4.456 1.00 0.00 C ATOM 1264 C ARG A 78 -7.093 -5.115 -5.822 1.00 0.00 C ATOM 1265 O ARG A 78 -7.603 -4.722 -6.848 1.00 0.00 O ATOM 1266 CB ARG A 78 -8.351 -5.912 -3.824 1.00 0.00 C ATOM 1267 CG ARG A 78 -9.694 -6.143 -4.520 1.00 0.00 C ATOM 1268 CD ARG A 78 -10.068 -7.625 -4.436 1.00 0.00 C ATOM 1269 NE ARG A 78 -11.494 -7.753 -4.024 1.00 0.00 N ATOM 1270 CZ ARG A 78 -12.274 -8.609 -4.626 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -12.459 -8.529 -5.915 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -12.868 -9.545 -3.938 1.00 0.00 N ATOM 0 H ARG A 78 -9.125 -3.556 -5.505 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.831 -4.370 -3.822 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.724 -6.799 -3.915 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.506 -5.739 -2.759 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.468 -5.535 -4.051 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.633 -5.832 -5.563 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.912 -8.106 -5.402 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.424 -8.134 -3.719 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.861 -7.171 -3.271 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.994 -7.797 -6.453 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.069 -9.198 -6.385 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.723 -9.607 -2.930 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.478 -10.214 -4.408 1.00 0.00 H new ATOM 1286 N ILE A 79 -6.058 -5.920 -5.846 1.00 0.00 N ATOM 1287 CA ILE A 79 -5.486 -6.362 -7.159 1.00 0.00 C ATOM 1288 C ILE A 79 -6.022 -7.756 -7.494 1.00 0.00 C ATOM 1289 O ILE A 79 -6.432 -8.498 -6.625 1.00 0.00 O ATOM 1290 CB ILE A 79 -3.952 -6.387 -7.102 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -3.403 -6.814 -8.464 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -3.475 -7.363 -6.036 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -2.114 -6.048 -8.755 1.00 0.00 C ATOM 0 H ILE A 79 -5.587 -6.288 -5.020 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.785 -5.656 -7.934 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.591 -5.389 -6.851 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.211 -7.887 -8.471 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.140 -6.617 -9.243 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.385 -7.368 -6.009 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.861 -7.057 -5.064 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.837 -8.364 -6.271 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.722 -6.351 -9.726 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.321 -4.978 -8.766 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.378 -6.267 -7.981 1.00 0.00 H new ATOM 1305 N ASP A 80 -6.037 -8.111 -8.750 1.00 0.00 N ATOM 1306 CA ASP A 80 -6.564 -9.446 -9.140 1.00 0.00 C ATOM 1307 C ASP A 80 -5.753 -10.540 -8.443 1.00 0.00 C ATOM 1308 O ASP A 80 -4.617 -10.328 -8.073 1.00 0.00 O ATOM 1309 CB ASP A 80 -6.467 -9.616 -10.657 1.00 0.00 C ATOM 1310 CG ASP A 80 -7.437 -8.653 -11.342 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -7.141 -7.471 -11.376 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -8.459 -9.114 -11.822 1.00 0.00 O ATOM 0 H ASP A 80 -5.706 -7.532 -9.522 1.00 0.00 H new ATOM 0 HA ASP A 80 -7.608 -9.525 -8.838 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.448 -9.421 -10.991 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.702 -10.644 -10.934 1.00 0.00 H new ATOM 1317 N PRO A 81 -6.380 -11.674 -8.269 1.00 0.00 N ATOM 1318 CA PRO A 81 -5.767 -12.832 -7.595 1.00 0.00 C ATOM 1319 C PRO A 81 -4.854 -13.629 -8.539 1.00 0.00 C ATOM 1320 O PRO A 81 -3.682 -13.814 -8.272 1.00 0.00 O ATOM 1321 CB PRO A 81 -6.977 -13.675 -7.180 1.00 0.00 C ATOM 1322 CG PRO A 81 -8.142 -13.266 -8.114 1.00 0.00 C ATOM 1323 CD PRO A 81 -7.766 -11.903 -8.725 1.00 0.00 C ATOM 0 HA PRO A 81 -5.130 -12.537 -6.761 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.759 -14.739 -7.275 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -7.235 -13.495 -6.137 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.291 -14.012 -8.895 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -9.077 -13.196 -7.558 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.830 -11.923 -9.813 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -8.434 -11.114 -8.381 1.00 0.00 H new ATOM 1331 N ALA A 82 -5.386 -14.128 -9.622 1.00 0.00 N ATOM 1332 CA ALA A 82 -4.557 -14.942 -10.560 1.00 0.00 C ATOM 1333 C ALA A 82 -3.473 -14.088 -11.224 1.00 0.00 C ATOM 1334 O ALA A 82 -2.499 -14.607 -11.732 1.00 0.00 O ATOM 1335 CB ALA A 82 -5.459 -15.544 -11.638 1.00 0.00 C ATOM 0 H ALA A 82 -6.360 -14.007 -9.899 1.00 0.00 H new ATOM 0 HA ALA A 82 -4.069 -15.733 -9.991 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.857 -16.139 -12.325 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.211 -16.179 -11.170 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.953 -14.743 -12.188 1.00 0.00 H new ATOM 1341 N SER A 83 -3.619 -12.793 -11.234 1.00 0.00 N ATOM 1342 CA SER A 83 -2.570 -11.949 -11.876 1.00 0.00 C ATOM 1343 C SER A 83 -1.495 -11.606 -10.850 1.00 0.00 C ATOM 1344 O SER A 83 -0.503 -10.998 -11.168 1.00 0.00 O ATOM 1345 CB SER A 83 -3.182 -10.650 -12.417 1.00 0.00 C ATOM 1346 OG SER A 83 -3.503 -10.820 -13.791 1.00 0.00 O ATOM 0 H SER A 83 -4.408 -12.286 -10.832 1.00 0.00 H new ATOM 0 HA SER A 83 -2.132 -12.507 -12.704 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.078 -10.393 -11.851 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.480 -9.825 -12.295 1.00 0.00 H new ATOM 0 HG SER A 83 -3.896 -9.993 -14.140 1.00 0.00 H new ATOM 1352 N GLU A 84 -1.677 -11.986 -9.620 1.00 0.00 N ATOM 1353 CA GLU A 84 -0.657 -11.648 -8.590 1.00 0.00 C ATOM 1354 C GLU A 84 0.705 -12.206 -8.995 1.00 0.00 C ATOM 1355 O GLU A 84 1.657 -11.470 -9.147 1.00 0.00 O ATOM 1356 CB GLU A 84 -1.071 -12.244 -7.244 1.00 0.00 C ATOM 1357 CG GLU A 84 -2.163 -11.376 -6.619 1.00 0.00 C ATOM 1358 CD GLU A 84 -3.102 -12.254 -5.790 1.00 0.00 C ATOM 1359 OE1 GLU A 84 -2.892 -13.456 -5.765 1.00 0.00 O ATOM 1360 OE2 GLU A 84 -4.017 -11.709 -5.194 1.00 0.00 O ATOM 0 H GLU A 84 -2.482 -12.513 -9.283 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.587 -10.564 -8.505 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.435 -13.262 -7.381 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.210 -12.300 -6.578 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.715 -10.608 -5.988 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.724 -10.861 -7.399 1.00 0.00 H new ATOM 1367 N ALA A 85 0.816 -13.490 -9.177 1.00 0.00 N ATOM 1368 CA ALA A 85 2.136 -14.058 -9.575 1.00 0.00 C ATOM 1369 C ALA A 85 2.732 -13.212 -10.705 1.00 0.00 C ATOM 1370 O ALA A 85 3.929 -13.188 -10.907 1.00 0.00 O ATOM 1371 CB ALA A 85 1.953 -15.499 -10.053 1.00 0.00 C ATOM 0 H ALA A 85 0.060 -14.166 -9.069 1.00 0.00 H new ATOM 0 HA ALA A 85 2.810 -14.048 -8.718 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.919 -15.912 -10.343 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.530 -16.099 -9.247 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.279 -15.515 -10.910 1.00 0.00 H new ATOM 1377 N LYS A 86 1.906 -12.521 -11.443 1.00 0.00 N ATOM 1378 CA LYS A 86 2.423 -11.681 -12.559 1.00 0.00 C ATOM 1379 C LYS A 86 2.909 -10.331 -12.016 1.00 0.00 C ATOM 1380 O LYS A 86 4.080 -10.013 -12.076 1.00 0.00 O ATOM 1381 CB LYS A 86 1.302 -11.448 -13.574 1.00 0.00 C ATOM 1382 CG LYS A 86 1.784 -10.478 -14.654 1.00 0.00 C ATOM 1383 CD LYS A 86 1.060 -9.139 -14.499 1.00 0.00 C ATOM 1384 CE LYS A 86 1.889 -8.035 -15.157 1.00 0.00 C ATOM 1385 NZ LYS A 86 3.238 -7.985 -14.525 1.00 0.00 N ATOM 0 H LYS A 86 0.894 -12.503 -11.320 1.00 0.00 H new ATOM 0 HA LYS A 86 3.257 -12.193 -13.040 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.005 -12.394 -14.027 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.422 -11.044 -13.073 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.861 -10.332 -14.572 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.593 -10.894 -15.643 1.00 0.00 H new ATOM 0 HD2 LYS A 86 0.073 -9.191 -14.959 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.908 -8.915 -13.443 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.983 -8.224 -16.226 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.388 -7.074 -15.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.516 -6.994 -14.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.211 -8.477 -13.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.930 -8.449 -15.147 1.00 0.00 H new ATOM 1399 N LEU A 87 2.015 -9.530 -11.503 1.00 0.00 N ATOM 1400 CA LEU A 87 2.416 -8.192 -10.973 1.00 0.00 C ATOM 1401 C LEU A 87 3.593 -8.327 -10.022 1.00 0.00 C ATOM 1402 O LEU A 87 4.638 -7.744 -10.220 1.00 0.00 O ATOM 1403 CB LEU A 87 1.259 -7.537 -10.203 1.00 0.00 C ATOM 1404 CG LEU A 87 0.237 -8.584 -9.740 1.00 0.00 C ATOM 1405 CD1 LEU A 87 -0.194 -8.278 -8.304 1.00 0.00 C ATOM 1406 CD2 LEU A 87 -0.989 -8.527 -10.653 1.00 0.00 C ATOM 0 H LEU A 87 1.021 -9.744 -11.427 1.00 0.00 H new ATOM 0 HA LEU A 87 2.689 -7.574 -11.828 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.651 -7.001 -9.339 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.767 -6.801 -10.838 1.00 0.00 H new ATOM 0 HG LEU A 87 0.687 -9.576 -9.783 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.920 -9.022 -7.976 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.677 -8.307 -7.649 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.646 -7.287 -8.263 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.719 -9.269 -10.329 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.434 -7.533 -10.602 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.688 -8.738 -11.679 1.00 0.00 H new ATOM 1418 N VAL A 88 3.418 -9.070 -8.982 1.00 0.00 N ATOM 1419 CA VAL A 88 4.504 -9.238 -7.991 1.00 0.00 C ATOM 1420 C VAL A 88 5.858 -9.397 -8.687 1.00 0.00 C ATOM 1421 O VAL A 88 6.880 -8.986 -8.174 1.00 0.00 O ATOM 1422 CB VAL A 88 4.223 -10.487 -7.198 1.00 0.00 C ATOM 1423 CG1 VAL A 88 2.976 -10.286 -6.334 1.00 0.00 C ATOM 1424 CG2 VAL A 88 4.001 -11.641 -8.174 1.00 0.00 C ATOM 0 H VAL A 88 2.558 -9.577 -8.770 1.00 0.00 H new ATOM 0 HA VAL A 88 4.543 -8.358 -7.349 1.00 0.00 H new ATOM 0 HB VAL A 88 5.066 -10.711 -6.544 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.779 -11.193 -5.763 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.138 -9.454 -5.649 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.121 -10.067 -6.974 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.796 -12.555 -7.616 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.154 -11.413 -8.821 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.895 -11.780 -8.782 1.00 0.00 H new ATOM 1434 N GLU A 89 5.885 -9.996 -9.841 1.00 0.00 N ATOM 1435 CA GLU A 89 7.190 -10.175 -10.535 1.00 0.00 C ATOM 1436 C GLU A 89 7.862 -8.808 -10.652 1.00 0.00 C ATOM 1437 O GLU A 89 8.993 -8.626 -10.247 1.00 0.00 O ATOM 1438 CB GLU A 89 6.959 -10.761 -11.931 1.00 0.00 C ATOM 1439 CG GLU A 89 8.004 -11.844 -12.206 1.00 0.00 C ATOM 1440 CD GLU A 89 7.354 -13.225 -12.094 1.00 0.00 C ATOM 1441 OE1 GLU A 89 7.002 -13.605 -10.989 1.00 0.00 O ATOM 1442 OE2 GLU A 89 7.219 -13.877 -13.115 1.00 0.00 O ATOM 0 H GLU A 89 5.071 -10.366 -10.331 1.00 0.00 H new ATOM 0 HA GLU A 89 7.825 -10.858 -9.971 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.956 -11.182 -11.999 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.027 -9.975 -12.683 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.428 -11.710 -13.201 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.826 -11.759 -11.495 1.00 0.00 H new ATOM 1449 N GLN A 90 7.167 -7.840 -11.176 1.00 0.00 N ATOM 1450 CA GLN A 90 7.756 -6.480 -11.288 1.00 0.00 C ATOM 1451 C GLN A 90 7.707 -5.804 -9.913 1.00 0.00 C ATOM 1452 O GLN A 90 8.326 -4.783 -9.690 1.00 0.00 O ATOM 1453 CB GLN A 90 6.951 -5.650 -12.293 1.00 0.00 C ATOM 1454 CG GLN A 90 6.836 -6.413 -13.614 1.00 0.00 C ATOM 1455 CD GLN A 90 7.509 -5.608 -14.727 1.00 0.00 C ATOM 1456 OE1 GLN A 90 8.390 -4.812 -14.468 1.00 0.00 O ATOM 1457 NE2 GLN A 90 7.131 -5.784 -15.964 1.00 0.00 N ATOM 0 H GLN A 90 6.216 -7.932 -11.532 1.00 0.00 H new ATOM 0 HA GLN A 90 8.788 -6.553 -11.630 1.00 0.00 H new ATOM 0 HB2 GLN A 90 5.958 -5.441 -11.895 1.00 0.00 H new ATOM 0 HB3 GLN A 90 7.437 -4.689 -12.458 1.00 0.00 H new ATOM 0 HG2 GLN A 90 7.306 -7.392 -13.523 1.00 0.00 H new ATOM 0 HG3 GLN A 90 5.787 -6.584 -13.857 1.00 0.00 H new ATOM 0 HE21 GLN A 90 6.392 -6.452 -16.181 1.00 0.00 H new ATOM 0 HE22 GLN A 90 7.575 -5.253 -16.713 1.00 0.00 H new ATOM 1466 N ALA A 91 6.969 -6.368 -8.988 1.00 0.00 N ATOM 1467 CA ALA A 91 6.880 -5.754 -7.631 1.00 0.00 C ATOM 1468 C ALA A 91 8.271 -5.697 -7.001 1.00 0.00 C ATOM 1469 O ALA A 91 8.693 -4.678 -6.492 1.00 0.00 O ATOM 1470 CB ALA A 91 5.955 -6.579 -6.735 1.00 0.00 C ATOM 0 H ALA A 91 6.428 -7.223 -9.115 1.00 0.00 H new ATOM 0 HA ALA A 91 6.477 -4.746 -7.729 1.00 0.00 H new ATOM 0 HB1 ALA A 91 5.899 -6.119 -5.748 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.959 -6.615 -7.175 1.00 0.00 H new ATOM 0 HB3 ALA A 91 6.347 -7.592 -6.642 1.00 0.00 H new ATOM 1476 N PHE A 92 8.985 -6.788 -7.027 1.00 0.00 N ATOM 1477 CA PHE A 92 10.349 -6.803 -6.421 1.00 0.00 C ATOM 1478 C PHE A 92 11.379 -6.378 -7.470 1.00 0.00 C ATOM 1479 O PHE A 92 12.457 -6.934 -7.554 1.00 0.00 O ATOM 1480 CB PHE A 92 10.683 -8.216 -5.923 1.00 0.00 C ATOM 1481 CG PHE A 92 9.409 -8.989 -5.663 1.00 0.00 C ATOM 1482 CD1 PHE A 92 8.607 -8.671 -4.561 1.00 0.00 C ATOM 1483 CD2 PHE A 92 9.030 -10.022 -6.529 1.00 0.00 C ATOM 1484 CE1 PHE A 92 7.427 -9.385 -4.324 1.00 0.00 C ATOM 1485 CE2 PHE A 92 7.848 -10.735 -6.293 1.00 0.00 C ATOM 1486 CZ PHE A 92 7.047 -10.418 -5.191 1.00 0.00 C ATOM 0 H PHE A 92 8.684 -7.670 -7.441 1.00 0.00 H new ATOM 0 HA PHE A 92 10.374 -6.110 -5.580 1.00 0.00 H new ATOM 0 HB2 PHE A 92 11.289 -8.737 -6.664 1.00 0.00 H new ATOM 0 HB3 PHE A 92 11.275 -8.158 -5.010 1.00 0.00 H new ATOM 0 HD1 PHE A 92 8.899 -7.874 -3.893 1.00 0.00 H new ATOM 0 HD2 PHE A 92 9.649 -10.269 -7.379 1.00 0.00 H new ATOM 0 HE1 PHE A 92 6.809 -9.140 -3.473 1.00 0.00 H new ATOM 0 HE2 PHE A 92 7.555 -11.530 -6.962 1.00 0.00 H new ATOM 0 HZ PHE A 92 6.136 -10.969 -5.009 1.00 0.00 H new ATOM 1496 N ARG A 93 11.061 -5.398 -8.272 1.00 0.00 N ATOM 1497 CA ARG A 93 12.029 -4.943 -9.310 1.00 0.00 C ATOM 1498 C ARG A 93 12.177 -3.421 -9.240 1.00 0.00 C ATOM 1499 O ARG A 93 11.243 -2.685 -9.489 1.00 0.00 O ATOM 1500 CB ARG A 93 11.520 -5.341 -10.696 1.00 0.00 C ATOM 1501 CG ARG A 93 12.711 -5.580 -11.626 1.00 0.00 C ATOM 1502 CD ARG A 93 12.605 -6.975 -12.243 1.00 0.00 C ATOM 1503 NE ARG A 93 13.882 -7.313 -12.932 1.00 0.00 N ATOM 1504 CZ ARG A 93 13.881 -7.597 -14.205 1.00 0.00 C ATOM 1505 NH1 ARG A 93 13.774 -6.640 -15.087 1.00 0.00 N ATOM 1506 NH2 ARG A 93 13.984 -8.838 -14.597 1.00 0.00 N ATOM 0 H ARG A 93 10.174 -4.894 -8.253 1.00 0.00 H new ATOM 0 HA ARG A 93 12.997 -5.411 -9.131 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.912 -6.243 -10.627 1.00 0.00 H new ATOM 0 HB3 ARG A 93 10.881 -4.556 -11.100 1.00 0.00 H new ATOM 0 HG2 ARG A 93 12.730 -4.824 -12.411 1.00 0.00 H new ATOM 0 HG3 ARG A 93 13.644 -5.486 -11.071 1.00 0.00 H new ATOM 0 HD2 ARG A 93 12.392 -7.711 -11.468 1.00 0.00 H new ATOM 0 HD3 ARG A 93 11.777 -7.009 -12.951 1.00 0.00 H new ATOM 0 HE ARG A 93 14.757 -7.322 -12.408 1.00 0.00 H new ATOM 0 HH11 ARG A 93 13.691 -5.671 -14.780 1.00 0.00 H new ATOM 0 HH12 ARG A 93 13.773 -6.862 -16.083 1.00 0.00 H new ATOM 0 HH21 ARG A 93 14.065 -9.585 -13.908 1.00 0.00 H new ATOM 0 HH22 ARG A 93 13.983 -9.060 -15.593 1.00 0.00 H new ATOM 1520 N LYS A 94 13.345 -2.945 -8.904 1.00 0.00 N ATOM 1521 CA LYS A 94 13.553 -1.471 -8.817 1.00 0.00 C ATOM 1522 C LYS A 94 13.702 -0.890 -10.226 1.00 0.00 C ATOM 1523 O LYS A 94 14.461 -1.383 -11.035 1.00 0.00 O ATOM 1524 CB LYS A 94 14.821 -1.182 -8.011 1.00 0.00 C ATOM 1525 CG LYS A 94 14.893 -2.133 -6.815 1.00 0.00 C ATOM 1526 CD LYS A 94 13.550 -2.135 -6.080 1.00 0.00 C ATOM 1527 CE LYS A 94 13.606 -3.128 -4.918 1.00 0.00 C ATOM 1528 NZ LYS A 94 12.236 -3.644 -4.639 1.00 0.00 N ATOM 0 H LYS A 94 14.164 -3.513 -8.686 1.00 0.00 H new ATOM 0 HA LYS A 94 12.695 -1.013 -8.325 1.00 0.00 H new ATOM 0 HB2 LYS A 94 15.702 -1.306 -8.641 1.00 0.00 H new ATOM 0 HB3 LYS A 94 14.818 -0.148 -7.667 1.00 0.00 H new ATOM 0 HG2 LYS A 94 15.136 -3.141 -7.153 1.00 0.00 H new ATOM 0 HG3 LYS A 94 15.689 -1.823 -6.138 1.00 0.00 H new ATOM 0 HD2 LYS A 94 13.326 -1.135 -5.708 1.00 0.00 H new ATOM 0 HD3 LYS A 94 12.748 -2.407 -6.766 1.00 0.00 H new ATOM 0 HE2 LYS A 94 14.274 -3.954 -5.163 1.00 0.00 H new ATOM 0 HE3 LYS A 94 14.011 -2.643 -4.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.274 -4.319 -3.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.611 -2.852 -4.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.866 -4.122 -5.485 1.00 0.00 H new