USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 754 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 43 HIS : no HD1:sc= -7.91! C(o=-14!,f=-17!) USER MOD Set 1.2: A 67 HIS : no HE2:sc= -6.45! C(o=-14!,f=-20!) USER MOD Set 2.1: A 25 THR OG1 : rot -61:sc= 2.17 USER MOD Set 2.2: A 37 THR OG1 : rot 40:sc= 1.07 USER MOD Set 3.1: A 19 HIS : no HE2:sc= 0.449 K(o=0.23,f=-3.3!) USER MOD Set 3.2: A 24 SER OG : rot 180:sc= -0.22 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -148:sc= 0.256 USER MOD Single : A 17 GLN : amide:sc= -0.337 K(o=-0.34,f=-2.6!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN :FLIP amide:sc= -5.98! C(o=-9.9!,f=-6!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot -19:sc= 0.356 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HE2:sc= -1.08 K(o=-1.1,f=-2.4!) USER MOD Single : A 31 TYR OH : rot -76:sc= 1.03 USER MOD Single : A 32 LYS NZ :NH3+ -110:sc= -0.0505 (180deg=-2.38!) USER MOD Single : A 34 TYR OH : rot 22:sc= -0.707 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -7.27! C(o=-7.3!,f=-14!) USER MOD Single : A 59 THR OG1 : rot -130:sc= -2.11! USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot -170:sc= -0.0547 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -49:sc= 0.356 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS :FLIP no HD1:sc= -10.4! C(o=-12!,f=-10!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= -1.33 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot -9:sc= 0.595! USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.14 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.359 USER MOD ----------------------------------------------------------------- ATOM 95 N VAL A 8 12.734 -2.689 -23.308 1.00 0.00 N ATOM 96 CA VAL A 8 12.463 -3.415 -22.079 1.00 0.00 C ATOM 97 C VAL A 8 11.941 -4.812 -22.422 1.00 0.00 C ATOM 98 O VAL A 8 12.658 -5.800 -22.275 1.00 0.00 O ATOM 99 CB VAL A 8 11.499 -2.616 -21.201 1.00 0.00 C ATOM 100 CG1 VAL A 8 10.582 -1.737 -22.052 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.686 -3.543 -20.295 1.00 0.00 C ATOM 0 HA VAL A 8 13.378 -3.542 -21.501 1.00 0.00 H new ATOM 0 HB VAL A 8 12.092 -1.961 -20.563 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.907 -1.180 -21.403 1.00 0.00 H new ATOM 0 HG12 VAL A 8 11.184 -1.039 -22.634 1.00 0.00 H new ATOM 0 HG13 VAL A 8 10.000 -2.365 -22.727 1.00 0.00 H new ATOM 0 HG21 VAL A 8 10.008 -2.949 -19.681 1.00 0.00 H new ATOM 0 HG22 VAL A 8 10.108 -4.235 -20.907 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.361 -4.105 -19.650 1.00 0.00 H new ATOM 111 N LYS A 9 10.695 -4.848 -22.871 1.00 0.00 N ATOM 112 CA LYS A 9 10.067 -6.107 -23.236 1.00 0.00 C ATOM 113 C LYS A 9 9.611 -6.831 -21.968 1.00 0.00 C ATOM 114 O LYS A 9 8.447 -7.212 -21.851 1.00 0.00 O ATOM 115 CB LYS A 9 11.006 -6.939 -24.114 1.00 0.00 C ATOM 116 CG LYS A 9 10.369 -7.230 -25.475 1.00 0.00 C ATOM 117 CD LYS A 9 9.715 -8.612 -25.488 1.00 0.00 C ATOM 118 CE LYS A 9 9.109 -8.919 -26.861 1.00 0.00 C ATOM 119 NZ LYS A 9 9.808 -10.060 -27.493 1.00 0.00 N ATOM 0 H LYS A 9 10.103 -4.026 -22.990 1.00 0.00 H new ATOM 0 HA LYS A 9 9.177 -5.928 -23.839 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.946 -6.405 -24.255 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.244 -7.877 -23.612 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.623 -6.468 -25.702 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.128 -7.175 -26.255 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.455 -9.371 -25.235 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.938 -8.658 -24.725 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.049 -9.149 -26.754 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.182 -8.040 -27.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.385 -10.255 -28.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.815 -9.827 -27.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.717 -10.901 -26.888 1.00 0.00 H new ATOM 133 N TYR A 10 10.551 -7.000 -21.050 1.00 0.00 N ATOM 134 CA TYR A 10 10.260 -7.671 -19.794 1.00 0.00 C ATOM 135 C TYR A 10 10.889 -6.926 -18.615 1.00 0.00 C ATOM 136 O TYR A 10 12.111 -6.862 -18.498 1.00 0.00 O ATOM 137 CB TYR A 10 10.894 -9.058 -19.901 1.00 0.00 C ATOM 138 CG TYR A 10 11.718 -9.270 -21.172 1.00 0.00 C ATOM 139 CD1 TYR A 10 12.990 -8.743 -21.268 1.00 0.00 C ATOM 140 CD2 TYR A 10 11.189 -9.988 -22.226 1.00 0.00 C ATOM 141 CE1 TYR A 10 13.765 -8.941 -22.464 1.00 0.00 C ATOM 142 CE2 TYR A 10 11.965 -10.188 -23.423 1.00 0.00 C ATOM 143 CZ TYR A 10 13.214 -9.655 -23.483 1.00 0.00 C ATOM 144 OH TYR A 10 13.946 -9.842 -24.614 1.00 0.00 O ATOM 0 H TYR A 10 11.515 -6.684 -21.151 1.00 0.00 H new ATOM 0 HA TYR A 10 9.184 -7.714 -19.623 1.00 0.00 H new ATOM 0 HB2 TYR A 10 11.534 -9.221 -19.034 1.00 0.00 H new ATOM 0 HB3 TYR A 10 10.106 -9.810 -19.862 1.00 0.00 H new ATOM 0 HD1 TYR A 10 13.404 -8.181 -20.444 1.00 0.00 H new ATOM 0 HD2 TYR A 10 10.193 -10.400 -22.153 1.00 0.00 H new ATOM 0 HE1 TYR A 10 14.761 -8.532 -22.551 1.00 0.00 H new ATOM 0 HE2 TYR A 10 11.563 -10.749 -24.254 1.00 0.00 H new ATOM 0 HH TYR A 10 13.427 -10.370 -25.256 1.00 0.00 H new ATOM 154 N TYR A 11 10.024 -6.380 -17.773 1.00 0.00 N ATOM 155 CA TYR A 11 10.479 -5.642 -16.606 1.00 0.00 C ATOM 156 C TYR A 11 9.882 -6.221 -15.322 1.00 0.00 C ATOM 157 O TYR A 11 8.969 -7.044 -15.375 1.00 0.00 O ATOM 158 CB TYR A 11 9.972 -4.209 -16.789 1.00 0.00 C ATOM 159 CG TYR A 11 11.061 -3.210 -17.184 1.00 0.00 C ATOM 160 CD1 TYR A 11 12.183 -3.642 -17.860 1.00 0.00 C ATOM 161 CD2 TYR A 11 10.919 -1.874 -16.863 1.00 0.00 C ATOM 162 CE1 TYR A 11 13.207 -2.701 -18.231 1.00 0.00 C ATOM 163 CE2 TYR A 11 11.944 -0.933 -17.234 1.00 0.00 C ATOM 164 CZ TYR A 11 13.038 -1.393 -17.900 1.00 0.00 C ATOM 165 OH TYR A 11 14.004 -0.504 -18.250 1.00 0.00 O ATOM 0 H TYR A 11 9.011 -6.434 -17.875 1.00 0.00 H new ATOM 0 HA TYR A 11 11.564 -5.694 -16.519 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.194 -4.204 -17.553 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.508 -3.877 -15.860 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.293 -4.687 -18.111 1.00 0.00 H new ATOM 0 HD2 TYR A 11 10.040 -1.536 -16.334 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.090 -3.027 -18.761 1.00 0.00 H new ATOM 0 HE2 TYR A 11 11.847 0.114 -16.989 1.00 0.00 H new ATOM 0 HH TYR A 11 13.748 0.393 -17.950 1.00 0.00 H new ATOM 175 N THR A 12 10.422 -5.769 -14.200 1.00 0.00 N ATOM 176 CA THR A 12 9.954 -6.233 -12.906 1.00 0.00 C ATOM 177 C THR A 12 9.109 -5.153 -12.226 1.00 0.00 C ATOM 178 O THR A 12 9.369 -3.963 -12.390 1.00 0.00 O ATOM 179 CB THR A 12 11.174 -6.657 -12.085 1.00 0.00 C ATOM 180 OG1 THR A 12 11.826 -5.427 -11.774 1.00 0.00 O ATOM 181 CG2 THR A 12 12.202 -7.423 -12.918 1.00 0.00 C ATOM 0 H THR A 12 11.179 -5.086 -14.161 1.00 0.00 H new ATOM 0 HA THR A 12 9.298 -7.098 -13.010 1.00 0.00 H new ATOM 0 HB THR A 12 10.852 -7.276 -11.248 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.794 -5.574 -11.723 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.047 -7.700 -12.288 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.742 -8.323 -13.325 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.551 -6.792 -13.736 1.00 0.00 H new ATOM 189 N LEU A 13 8.115 -5.609 -11.476 1.00 0.00 N ATOM 190 CA LEU A 13 7.232 -4.696 -10.771 1.00 0.00 C ATOM 191 C LEU A 13 8.057 -3.558 -10.167 1.00 0.00 C ATOM 192 O LEU A 13 7.618 -2.410 -10.150 1.00 0.00 O ATOM 193 CB LEU A 13 6.385 -5.455 -9.746 1.00 0.00 C ATOM 194 CG LEU A 13 4.956 -5.793 -10.175 1.00 0.00 C ATOM 195 CD1 LEU A 13 4.247 -6.628 -9.108 1.00 0.00 C ATOM 196 CD2 LEU A 13 4.174 -4.525 -10.524 1.00 0.00 C ATOM 0 H LEU A 13 7.903 -6.598 -11.342 1.00 0.00 H new ATOM 0 HA LEU A 13 6.523 -4.242 -11.463 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.898 -6.384 -9.497 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.338 -4.862 -8.833 1.00 0.00 H new ATOM 0 HG LEU A 13 5.005 -6.400 -11.079 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.233 -6.855 -9.438 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.794 -7.558 -8.951 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.208 -6.068 -8.174 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.162 -4.793 -10.826 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.132 -3.872 -9.652 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.671 -4.005 -11.343 1.00 0.00 H new ATOM 208 N GLU A 14 9.236 -3.918 -9.683 1.00 0.00 N ATOM 209 CA GLU A 14 10.127 -2.942 -9.078 1.00 0.00 C ATOM 210 C GLU A 14 10.553 -1.900 -10.114 1.00 0.00 C ATOM 211 O GLU A 14 10.463 -0.698 -9.865 1.00 0.00 O ATOM 212 CB GLU A 14 11.345 -3.624 -8.453 1.00 0.00 C ATOM 213 CG GLU A 14 11.365 -3.428 -6.936 1.00 0.00 C ATOM 214 CD GLU A 14 10.821 -4.663 -6.216 1.00 0.00 C ATOM 215 OE1 GLU A 14 11.307 -5.769 -6.540 1.00 0.00 O ATOM 216 OE2 GLU A 14 9.933 -4.473 -5.358 1.00 0.00 O ATOM 0 H GLU A 14 9.596 -4.872 -9.697 1.00 0.00 H new ATOM 0 HA GLU A 14 9.588 -2.433 -8.279 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.329 -4.689 -8.685 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.258 -3.216 -8.888 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.384 -3.229 -6.605 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.768 -2.556 -6.671 1.00 0.00 H new ATOM 223 N GLU A 15 11.008 -2.397 -11.255 1.00 0.00 N ATOM 224 CA GLU A 15 11.449 -1.525 -12.329 1.00 0.00 C ATOM 225 C GLU A 15 10.348 -0.523 -12.685 1.00 0.00 C ATOM 226 O GLU A 15 10.631 0.636 -12.984 1.00 0.00 O ATOM 227 CB GLU A 15 11.870 -2.335 -13.557 1.00 0.00 C ATOM 228 CG GLU A 15 13.368 -2.640 -13.525 1.00 0.00 C ATOM 229 CD GLU A 15 13.733 -3.459 -12.286 1.00 0.00 C ATOM 230 OE1 GLU A 15 13.692 -2.871 -11.183 1.00 0.00 O ATOM 231 OE2 GLU A 15 14.047 -4.656 -12.468 1.00 0.00 O ATOM 0 H GLU A 15 11.081 -3.394 -11.459 1.00 0.00 H new ATOM 0 HA GLU A 15 12.322 -0.970 -11.984 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.306 -3.267 -13.593 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.627 -1.780 -14.464 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.651 -3.188 -14.424 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.933 -1.708 -13.529 1.00 0.00 H new ATOM 238 N ILE A 16 9.114 -1.007 -12.641 1.00 0.00 N ATOM 239 CA ILE A 16 7.969 -0.168 -12.954 1.00 0.00 C ATOM 240 C ILE A 16 7.704 0.782 -11.785 1.00 0.00 C ATOM 241 O ILE A 16 7.258 1.910 -11.987 1.00 0.00 O ATOM 242 CB ILE A 16 6.763 -1.029 -13.333 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.170 -2.154 -14.289 1.00 0.00 C ATOM 244 CG2 ILE A 16 5.635 -0.169 -13.907 1.00 0.00 C ATOM 245 CD1 ILE A 16 6.678 -3.511 -13.780 1.00 0.00 C ATOM 0 H ILE A 16 8.883 -1.969 -12.393 1.00 0.00 H new ATOM 0 HA ILE A 16 8.177 0.451 -13.827 1.00 0.00 H new ATOM 0 HB ILE A 16 6.381 -1.499 -12.427 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.757 -1.962 -15.279 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.255 -2.172 -14.394 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.789 -0.805 -14.168 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.322 0.564 -13.163 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.989 0.348 -14.799 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.980 -4.292 -14.477 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.112 -3.711 -12.800 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.591 -3.497 -13.700 1.00 0.00 H new ATOM 257 N GLN A 17 7.988 0.290 -10.587 1.00 0.00 N ATOM 258 CA GLN A 17 7.786 1.082 -9.386 1.00 0.00 C ATOM 259 C GLN A 17 8.730 2.285 -9.377 1.00 0.00 C ATOM 260 O GLN A 17 8.383 3.348 -8.865 1.00 0.00 O ATOM 261 CB GLN A 17 7.970 0.229 -8.129 1.00 0.00 C ATOM 262 CG GLN A 17 6.974 0.633 -7.041 1.00 0.00 C ATOM 263 CD GLN A 17 7.699 1.208 -5.821 1.00 0.00 C ATOM 264 OE1 GLN A 17 8.895 1.047 -5.645 1.00 0.00 O ATOM 265 NE2 GLN A 17 6.909 1.885 -4.993 1.00 0.00 N ATOM 0 H GLN A 17 8.356 -0.647 -10.423 1.00 0.00 H new ATOM 0 HA GLN A 17 6.761 1.452 -9.387 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.836 -0.824 -8.377 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.988 0.341 -7.755 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.278 1.372 -7.437 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.384 -0.234 -6.743 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.915 1.981 -5.201 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.297 2.308 -4.150 1.00 0.00 H new ATOM 274 N LYS A 18 9.907 2.076 -9.949 1.00 0.00 N ATOM 275 CA LYS A 18 10.905 3.130 -10.014 1.00 0.00 C ATOM 276 C LYS A 18 10.438 4.210 -10.991 1.00 0.00 C ATOM 277 O LYS A 18 10.764 5.385 -10.825 1.00 0.00 O ATOM 278 CB LYS A 18 12.278 2.547 -10.351 1.00 0.00 C ATOM 279 CG LYS A 18 12.653 1.426 -9.378 1.00 0.00 C ATOM 280 CD LYS A 18 13.238 1.996 -8.085 1.00 0.00 C ATOM 281 CE LYS A 18 14.672 2.484 -8.300 1.00 0.00 C ATOM 282 NZ LYS A 18 15.142 3.249 -7.122 1.00 0.00 N ATOM 0 H LYS A 18 10.192 1.192 -10.372 1.00 0.00 H new ATOM 0 HA LYS A 18 11.018 3.608 -9.041 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.273 2.162 -11.371 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.031 3.334 -10.312 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.771 0.828 -9.150 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.377 0.760 -9.847 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.618 2.821 -7.734 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.223 1.233 -7.307 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.330 1.633 -8.474 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.719 3.111 -9.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.117 3.573 -7.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.524 4.072 -6.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.116 2.640 -6.279 1.00 0.00 H new ATOM 296 N HIS A 19 9.685 3.774 -11.989 1.00 0.00 N ATOM 297 CA HIS A 19 9.171 4.688 -12.994 1.00 0.00 C ATOM 298 C HIS A 19 7.750 5.118 -12.618 1.00 0.00 C ATOM 299 O HIS A 19 6.781 4.457 -12.984 1.00 0.00 O ATOM 300 CB HIS A 19 9.251 4.064 -14.389 1.00 0.00 C ATOM 301 CG HIS A 19 10.606 4.193 -15.042 1.00 0.00 C ATOM 302 ND1 HIS A 19 10.767 4.461 -16.391 1.00 0.00 N ATOM 303 CD2 HIS A 19 11.861 4.089 -14.518 1.00 0.00 C ATOM 304 CE1 HIS A 19 12.064 4.511 -16.654 1.00 0.00 C ATOM 305 NE2 HIS A 19 12.740 4.281 -15.494 1.00 0.00 N ATOM 0 H HIS A 19 9.418 2.799 -12.123 1.00 0.00 H new ATOM 0 HA HIS A 19 9.790 5.585 -13.025 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.992 3.008 -14.319 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.504 4.533 -15.029 1.00 0.00 H new ATOM 0 HD1 HIS A 19 10.015 4.597 -17.067 1.00 0.00 H new ATOM 0 HD2 HIS A 19 12.099 3.885 -13.485 1.00 0.00 H new ATOM 0 HE1 HIS A 19 12.508 4.701 -17.620 1.00 0.00 H new ATOM 314 N ASN A 20 7.674 6.223 -11.892 1.00 0.00 N ATOM 315 CA ASN A 20 6.389 6.749 -11.463 1.00 0.00 C ATOM 316 C ASN A 20 6.466 8.276 -11.394 1.00 0.00 C ATOM 317 O ASN A 20 5.780 8.900 -10.586 1.00 0.00 O ATOM 318 CB ASN A 20 6.021 6.232 -10.071 1.00 0.00 C ATOM 319 CG ASN A 20 4.759 6.921 -9.547 1.00 0.00 C ATOM 320 OD1 ASN A 20 3.912 7.297 -10.501 1.00 0.00 O flip ATOM 321 ND2 ASN A 20 4.567 7.099 -8.355 1.00 0.00 N flip ATOM 0 H ASN A 20 8.481 6.769 -11.590 1.00 0.00 H new ATOM 0 HA ASN A 20 5.635 6.425 -12.180 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.862 5.154 -10.110 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.848 6.408 -9.383 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.259 6.785 -7.675 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.714 7.561 -8.039 1.00 0.00 H new ATOM 328 N ASN A 21 7.306 8.833 -12.255 1.00 0.00 N ATOM 329 CA ASN A 21 7.480 10.275 -12.304 1.00 0.00 C ATOM 330 C ASN A 21 6.823 10.822 -13.572 1.00 0.00 C ATOM 331 O ASN A 21 6.508 10.065 -14.488 1.00 0.00 O ATOM 332 CB ASN A 21 8.963 10.650 -12.337 1.00 0.00 C ATOM 333 CG ASN A 21 9.621 10.412 -10.977 1.00 0.00 C ATOM 334 OD1 ASN A 21 9.409 11.138 -10.021 1.00 0.00 O ATOM 335 ND2 ASN A 21 10.429 9.357 -10.944 1.00 0.00 N ATOM 0 H ASN A 21 7.873 8.312 -12.924 1.00 0.00 H new ATOM 0 HA ASN A 21 7.021 10.700 -11.411 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.473 10.061 -13.099 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.070 11.698 -12.618 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.916 9.114 -10.081 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.562 8.790 -11.782 1.00 0.00 H new ATOM 342 N SER A 22 6.638 12.133 -13.586 1.00 0.00 N ATOM 343 CA SER A 22 6.026 12.791 -14.728 1.00 0.00 C ATOM 344 C SER A 22 6.893 12.593 -15.973 1.00 0.00 C ATOM 345 O SER A 22 6.455 12.869 -17.089 1.00 0.00 O ATOM 346 CB SER A 22 5.816 14.282 -14.459 1.00 0.00 C ATOM 347 OG SER A 22 5.448 14.992 -15.639 1.00 0.00 O ATOM 0 H SER A 22 6.901 12.758 -12.824 1.00 0.00 H new ATOM 0 HA SER A 22 5.048 12.340 -14.898 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.040 14.408 -13.704 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.732 14.709 -14.050 1.00 0.00 H new ATOM 0 HG SER A 22 5.692 14.464 -16.428 1.00 0.00 H new ATOM 353 N LYS A 23 8.107 12.118 -15.740 1.00 0.00 N ATOM 354 CA LYS A 23 9.039 11.880 -16.827 1.00 0.00 C ATOM 355 C LYS A 23 9.220 10.374 -17.020 1.00 0.00 C ATOM 356 O LYS A 23 9.687 9.929 -18.068 1.00 0.00 O ATOM 357 CB LYS A 23 10.352 12.631 -16.583 1.00 0.00 C ATOM 358 CG LYS A 23 10.389 13.939 -17.375 1.00 0.00 C ATOM 359 CD LYS A 23 11.815 14.489 -17.455 1.00 0.00 C ATOM 360 CE LYS A 23 11.827 15.895 -18.056 1.00 0.00 C ATOM 361 NZ LYS A 23 13.042 16.629 -17.635 1.00 0.00 N ATOM 0 H LYS A 23 8.467 11.891 -14.813 1.00 0.00 H new ATOM 0 HA LYS A 23 8.641 12.275 -17.761 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.462 12.842 -15.519 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.194 12.002 -16.872 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.003 13.771 -18.380 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.738 14.674 -16.902 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.256 14.512 -16.459 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.431 13.825 -18.061 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.792 15.832 -19.144 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.938 16.440 -17.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.034 17.582 -18.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.060 16.705 -16.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.887 16.116 -17.959 1.00 0.00 H new ATOM 375 N SER A 24 8.839 9.629 -15.993 1.00 0.00 N ATOM 376 CA SER A 24 8.953 8.181 -16.034 1.00 0.00 C ATOM 377 C SER A 24 7.689 7.539 -15.458 1.00 0.00 C ATOM 378 O SER A 24 7.691 7.070 -14.322 1.00 0.00 O ATOM 379 CB SER A 24 10.188 7.702 -15.269 1.00 0.00 C ATOM 380 OG SER A 24 11.244 7.318 -16.144 1.00 0.00 O ATOM 0 H SER A 24 8.451 10.001 -15.126 1.00 0.00 H new ATOM 0 HA SER A 24 9.065 7.877 -17.075 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.536 8.496 -14.609 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.917 6.857 -14.636 1.00 0.00 H new ATOM 0 HG SER A 24 12.014 7.020 -15.616 1.00 0.00 H new ATOM 386 N THR A 25 6.642 7.541 -16.268 1.00 0.00 N ATOM 387 CA THR A 25 5.373 6.964 -15.853 1.00 0.00 C ATOM 388 C THR A 25 5.185 5.581 -16.481 1.00 0.00 C ATOM 389 O THR A 25 4.778 5.470 -17.635 1.00 0.00 O ATOM 390 CB THR A 25 4.264 7.953 -16.217 1.00 0.00 C ATOM 391 OG1 THR A 25 4.946 9.190 -16.397 1.00 0.00 O ATOM 392 CG2 THR A 25 3.311 8.219 -15.050 1.00 0.00 C ATOM 0 H THR A 25 6.645 7.933 -17.210 1.00 0.00 H new ATOM 0 HA THR A 25 5.344 6.803 -14.775 1.00 0.00 H new ATOM 0 HB THR A 25 3.700 7.568 -17.066 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.384 9.447 -15.559 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.543 8.927 -15.361 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.840 7.285 -14.744 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.870 8.635 -14.212 1.00 0.00 H new ATOM 400 N TRP A 26 5.492 4.563 -15.690 1.00 0.00 N ATOM 401 CA TRP A 26 5.361 3.191 -16.152 1.00 0.00 C ATOM 402 C TRP A 26 4.325 2.491 -15.271 1.00 0.00 C ATOM 403 O TRP A 26 4.234 2.767 -14.076 1.00 0.00 O ATOM 404 CB TRP A 26 6.717 2.483 -16.158 1.00 0.00 C ATOM 405 CG TRP A 26 7.406 2.468 -17.525 1.00 0.00 C ATOM 406 CD1 TRP A 26 7.672 1.410 -18.302 1.00 0.00 C ATOM 407 CD2 TRP A 26 7.908 3.611 -18.247 1.00 0.00 C ATOM 408 NE1 TRP A 26 8.306 1.785 -19.469 1.00 0.00 N ATOM 409 CE2 TRP A 26 8.454 3.167 -19.434 1.00 0.00 C ATOM 410 CE3 TRP A 26 7.901 4.977 -17.909 1.00 0.00 C ATOM 411 CZ2 TRP A 26 9.034 4.023 -20.379 1.00 0.00 C ATOM 412 CZ3 TRP A 26 8.484 5.818 -18.863 1.00 0.00 C ATOM 413 CH2 TRP A 26 9.038 5.388 -20.063 1.00 0.00 C ATOM 0 H TRP A 26 5.831 4.661 -14.733 1.00 0.00 H new ATOM 0 HA TRP A 26 5.014 3.164 -17.185 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.373 2.971 -15.437 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.580 1.456 -15.820 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.422 0.391 -18.047 1.00 0.00 H new ATOM 0 HE1 TRP A 26 8.610 1.163 -20.218 1.00 0.00 H new ATOM 0 HE3 TRP A 26 7.479 5.347 -16.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 9.455 3.651 -21.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.505 6.877 -18.652 1.00 0.00 H new ATOM 0 HH2 TRP A 26 9.469 6.102 -20.748 1.00 0.00 H new ATOM 424 N LEU A 27 3.569 1.600 -15.895 1.00 0.00 N ATOM 425 CA LEU A 27 2.542 0.858 -15.183 1.00 0.00 C ATOM 426 C LEU A 27 2.293 -0.473 -15.896 1.00 0.00 C ATOM 427 O LEU A 27 2.784 -0.689 -17.002 1.00 0.00 O ATOM 428 CB LEU A 27 1.285 1.712 -15.014 1.00 0.00 C ATOM 429 CG LEU A 27 0.268 1.638 -16.156 1.00 0.00 C ATOM 430 CD1 LEU A 27 0.968 1.633 -17.516 1.00 0.00 C ATOM 431 CD2 LEU A 27 -0.662 0.435 -15.985 1.00 0.00 C ATOM 0 H LEU A 27 3.647 1.375 -16.887 1.00 0.00 H new ATOM 0 HA LEU A 27 2.874 0.620 -14.173 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.788 1.414 -14.091 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.589 2.751 -14.891 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.353 2.533 -16.118 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.222 1.580 -18.309 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.552 2.546 -17.628 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.629 0.769 -17.582 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.375 0.406 -16.809 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.073 -0.482 -15.982 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.202 0.523 -15.042 1.00 0.00 H new ATOM 443 N ILE A 28 1.532 -1.330 -15.230 1.00 0.00 N ATOM 444 CA ILE A 28 1.211 -2.633 -15.787 1.00 0.00 C ATOM 445 C ILE A 28 -0.283 -2.690 -16.113 1.00 0.00 C ATOM 446 O ILE A 28 -1.112 -2.251 -15.319 1.00 0.00 O ATOM 447 CB ILE A 28 1.679 -3.746 -14.848 1.00 0.00 C ATOM 448 CG1 ILE A 28 2.704 -3.220 -13.840 1.00 0.00 C ATOM 449 CG2 ILE A 28 2.212 -4.943 -15.637 1.00 0.00 C ATOM 450 CD1 ILE A 28 4.030 -2.891 -14.531 1.00 0.00 C ATOM 0 H ILE A 28 1.129 -1.147 -14.311 1.00 0.00 H new ATOM 0 HA ILE A 28 1.747 -2.790 -16.723 1.00 0.00 H new ATOM 0 HB ILE A 28 0.818 -4.095 -14.278 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.314 -2.328 -13.350 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.870 -3.965 -13.062 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.538 -5.719 -14.945 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.423 -5.336 -16.278 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.055 -4.627 -16.251 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.742 -2.519 -13.794 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.429 -3.791 -14.999 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.864 -2.129 -15.292 1.00 0.00 H new ATOM 462 N LEU A 29 -0.579 -3.235 -17.284 1.00 0.00 N ATOM 463 CA LEU A 29 -1.960 -3.355 -17.725 1.00 0.00 C ATOM 464 C LEU A 29 -2.212 -4.784 -18.209 1.00 0.00 C ATOM 465 O LEU A 29 -1.592 -5.238 -19.169 1.00 0.00 O ATOM 466 CB LEU A 29 -2.281 -2.285 -18.771 1.00 0.00 C ATOM 467 CG LEU A 29 -3.567 -1.489 -18.540 1.00 0.00 C ATOM 468 CD1 LEU A 29 -4.079 -0.884 -19.848 1.00 0.00 C ATOM 469 CD2 LEU A 29 -4.630 -2.350 -17.852 1.00 0.00 C ATOM 0 H LEU A 29 0.112 -3.598 -17.940 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.644 -3.173 -16.896 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.446 -1.585 -18.815 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.345 -2.766 -19.747 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.340 -0.661 -17.869 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.994 -0.323 -19.656 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.323 -0.215 -20.260 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.285 -1.682 -20.562 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.534 -1.760 -17.700 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.861 -3.212 -18.478 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.253 -2.692 -16.888 1.00 0.00 H new ATOM 481 N HIS A 30 -3.124 -5.454 -17.521 1.00 0.00 N ATOM 482 CA HIS A 30 -3.467 -6.823 -17.869 1.00 0.00 C ATOM 483 C HIS A 30 -2.333 -7.759 -17.448 1.00 0.00 C ATOM 484 O HIS A 30 -2.565 -8.755 -16.763 1.00 0.00 O ATOM 485 CB HIS A 30 -3.809 -6.937 -19.355 1.00 0.00 C ATOM 486 CG HIS A 30 -4.521 -8.216 -19.725 1.00 0.00 C ATOM 487 ND1 HIS A 30 -4.419 -9.375 -18.976 1.00 0.00 N ATOM 488 CD2 HIS A 30 -5.347 -8.505 -20.772 1.00 0.00 C ATOM 489 CE1 HIS A 30 -5.153 -10.314 -19.556 1.00 0.00 C ATOM 490 NE2 HIS A 30 -5.728 -9.772 -20.669 1.00 0.00 N ATOM 0 H HIS A 30 -3.636 -5.075 -16.724 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.362 -7.126 -17.326 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.434 -6.090 -19.640 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.889 -6.864 -19.936 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -3.872 -9.488 -18.123 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -5.641 -7.819 -21.552 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -5.275 -11.329 -19.209 1.00 0.00 H new ATOM 499 N TYR A 31 -1.129 -7.406 -17.873 1.00 0.00 N ATOM 500 CA TYR A 31 0.043 -8.203 -17.549 1.00 0.00 C ATOM 501 C TYR A 31 1.297 -7.629 -18.209 1.00 0.00 C ATOM 502 O TYR A 31 2.411 -8.062 -17.919 1.00 0.00 O ATOM 503 CB TYR A 31 -0.225 -9.598 -18.118 1.00 0.00 C ATOM 504 CG TYR A 31 0.338 -9.816 -19.522 1.00 0.00 C ATOM 505 CD1 TYR A 31 1.685 -10.063 -19.697 1.00 0.00 C ATOM 506 CD2 TYR A 31 -0.500 -9.764 -20.618 1.00 0.00 C ATOM 507 CE1 TYR A 31 2.215 -10.267 -21.019 1.00 0.00 C ATOM 508 CE2 TYR A 31 0.029 -9.968 -21.941 1.00 0.00 C ATOM 509 CZ TYR A 31 1.361 -10.210 -22.077 1.00 0.00 C ATOM 510 OH TYR A 31 1.862 -10.403 -23.327 1.00 0.00 O ATOM 0 H TYR A 31 -0.939 -6.579 -18.439 1.00 0.00 H new ATOM 0 HA TYR A 31 0.212 -8.216 -16.472 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.204 -10.342 -17.446 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -1.301 -9.770 -18.139 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.342 -10.103 -18.841 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -1.554 -9.570 -20.482 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.267 -10.461 -21.168 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.617 -9.930 -22.806 1.00 0.00 H new ATOM 0 HH TYR A 31 2.331 -9.594 -23.620 1.00 0.00 H new ATOM 520 N LYS A 32 1.074 -6.659 -19.085 1.00 0.00 N ATOM 521 CA LYS A 32 2.172 -6.021 -19.791 1.00 0.00 C ATOM 522 C LYS A 32 2.484 -4.676 -19.129 1.00 0.00 C ATOM 523 O LYS A 32 1.750 -4.230 -18.247 1.00 0.00 O ATOM 524 CB LYS A 32 1.860 -5.913 -21.284 1.00 0.00 C ATOM 525 CG LYS A 32 0.599 -6.702 -21.639 1.00 0.00 C ATOM 526 CD LYS A 32 0.564 -7.038 -23.131 1.00 0.00 C ATOM 527 CE LYS A 32 -0.820 -6.765 -23.722 1.00 0.00 C ATOM 528 NZ LYS A 32 -0.710 -6.386 -25.149 1.00 0.00 N ATOM 0 H LYS A 32 0.149 -6.300 -19.321 1.00 0.00 H new ATOM 0 HA LYS A 32 3.074 -6.629 -19.722 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.727 -4.866 -21.556 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.703 -6.288 -21.863 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.565 -7.622 -21.055 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.284 -6.122 -21.372 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.312 -6.446 -23.658 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.826 -8.086 -23.278 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.446 -7.652 -23.623 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.309 -5.966 -23.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.946 -5.379 -25.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.262 -6.552 -25.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.369 -6.960 -25.712 1.00 0.00 H new ATOM 542 N VAL A 33 3.570 -4.069 -19.579 1.00 0.00 N ATOM 543 CA VAL A 33 3.988 -2.785 -19.043 1.00 0.00 C ATOM 544 C VAL A 33 3.842 -1.712 -20.124 1.00 0.00 C ATOM 545 O VAL A 33 4.356 -1.868 -21.232 1.00 0.00 O ATOM 546 CB VAL A 33 5.411 -2.885 -18.489 1.00 0.00 C ATOM 547 CG1 VAL A 33 5.788 -1.623 -17.712 1.00 0.00 C ATOM 548 CG2 VAL A 33 5.573 -4.134 -17.621 1.00 0.00 C ATOM 0 H VAL A 33 4.175 -4.443 -20.310 1.00 0.00 H new ATOM 0 HA VAL A 33 3.349 -2.495 -18.209 1.00 0.00 H new ATOM 0 HB VAL A 33 6.094 -2.973 -19.334 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.804 -1.721 -17.330 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.731 -0.758 -18.373 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.098 -1.489 -16.879 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.593 -4.182 -17.239 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.875 -4.089 -16.785 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.367 -5.022 -18.219 1.00 0.00 H new ATOM 558 N TYR A 34 3.138 -0.649 -19.767 1.00 0.00 N ATOM 559 CA TYR A 34 2.919 0.449 -20.694 1.00 0.00 C ATOM 560 C TYR A 34 3.569 1.736 -20.183 1.00 0.00 C ATOM 561 O TYR A 34 3.681 1.943 -18.976 1.00 0.00 O ATOM 562 CB TYR A 34 1.403 0.648 -20.760 1.00 0.00 C ATOM 563 CG TYR A 34 0.620 -0.628 -21.071 1.00 0.00 C ATOM 564 CD1 TYR A 34 0.621 -1.676 -20.172 1.00 0.00 C ATOM 565 CD2 TYR A 34 -0.089 -0.732 -22.251 1.00 0.00 C ATOM 566 CE1 TYR A 34 -0.115 -2.877 -20.465 1.00 0.00 C ATOM 567 CE2 TYR A 34 -0.826 -1.934 -22.544 1.00 0.00 C ATOM 568 CZ TYR A 34 -0.803 -2.947 -21.637 1.00 0.00 C ATOM 569 OH TYR A 34 -1.499 -4.083 -21.914 1.00 0.00 O ATOM 0 H TYR A 34 2.712 -0.524 -18.849 1.00 0.00 H new ATOM 0 HA TYR A 34 3.354 0.223 -21.667 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.058 1.050 -19.807 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.178 1.395 -21.522 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.175 -1.594 -19.248 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.091 0.088 -22.954 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.121 -3.704 -19.771 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.385 -2.029 -23.464 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.689 -4.561 -21.080 1.00 0.00 H new ATOM 579 N ASP A 35 3.979 2.569 -21.129 1.00 0.00 N ATOM 580 CA ASP A 35 4.617 3.831 -20.791 1.00 0.00 C ATOM 581 C ASP A 35 3.547 4.915 -20.652 1.00 0.00 C ATOM 582 O ASP A 35 3.172 5.550 -21.637 1.00 0.00 O ATOM 583 CB ASP A 35 5.593 4.266 -21.884 1.00 0.00 C ATOM 584 CG ASP A 35 6.651 5.279 -21.441 1.00 0.00 C ATOM 585 OD1 ASP A 35 6.449 5.873 -20.360 1.00 0.00 O ATOM 586 OD2 ASP A 35 7.638 5.436 -22.193 1.00 0.00 O ATOM 0 H ASP A 35 3.882 2.395 -22.129 1.00 0.00 H new ATOM 0 HA ASP A 35 5.162 3.694 -19.857 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.098 3.382 -22.272 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.024 4.695 -22.709 1.00 0.00 H new ATOM 591 N LEU A 36 3.085 5.095 -19.424 1.00 0.00 N ATOM 592 CA LEU A 36 2.065 6.092 -19.145 1.00 0.00 C ATOM 593 C LEU A 36 2.587 7.473 -19.545 1.00 0.00 C ATOM 594 O LEU A 36 1.824 8.317 -20.016 1.00 0.00 O ATOM 595 CB LEU A 36 1.616 6.004 -17.685 1.00 0.00 C ATOM 596 CG LEU A 36 0.654 4.863 -17.347 1.00 0.00 C ATOM 597 CD1 LEU A 36 -0.059 5.124 -16.019 1.00 0.00 C ATOM 598 CD2 LEU A 36 -0.333 4.622 -18.490 1.00 0.00 C ATOM 0 H LEU A 36 3.398 4.567 -18.610 1.00 0.00 H new ATOM 0 HA LEU A 36 1.172 5.902 -19.741 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.502 5.903 -17.058 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.140 6.946 -17.415 1.00 0.00 H new ATOM 0 HG LEU A 36 1.236 3.949 -17.226 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.737 4.299 -15.802 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.678 5.208 -15.221 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.627 6.052 -16.087 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.005 3.806 -18.224 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.913 5.528 -18.667 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.215 4.360 -19.395 1.00 0.00 H new ATOM 610 N THR A 37 3.883 7.663 -19.348 1.00 0.00 N ATOM 611 CA THR A 37 4.515 8.928 -19.683 1.00 0.00 C ATOM 612 C THR A 37 4.169 9.333 -21.117 1.00 0.00 C ATOM 613 O THR A 37 4.082 10.520 -21.426 1.00 0.00 O ATOM 614 CB THR A 37 6.018 8.783 -19.439 1.00 0.00 C ATOM 615 OG1 THR A 37 6.274 9.642 -18.330 1.00 0.00 O ATOM 616 CG2 THR A 37 6.855 9.380 -20.572 1.00 0.00 C ATOM 0 H THR A 37 4.514 6.961 -18.960 1.00 0.00 H new ATOM 0 HA THR A 37 4.144 9.736 -19.052 1.00 0.00 H new ATOM 0 HB THR A 37 6.266 7.728 -19.320 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.546 9.561 -17.679 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.914 9.251 -20.349 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.616 8.873 -21.507 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.632 10.443 -20.668 1.00 0.00 H new ATOM 624 N LYS A 38 3.979 8.324 -21.954 1.00 0.00 N ATOM 625 CA LYS A 38 3.643 8.560 -23.347 1.00 0.00 C ATOM 626 C LYS A 38 2.142 8.826 -23.468 1.00 0.00 C ATOM 627 O LYS A 38 1.709 9.591 -24.330 1.00 0.00 O ATOM 628 CB LYS A 38 4.135 7.405 -24.221 1.00 0.00 C ATOM 629 CG LYS A 38 4.607 7.911 -25.586 1.00 0.00 C ATOM 630 CD LYS A 38 4.929 6.744 -26.521 1.00 0.00 C ATOM 631 CE LYS A 38 6.187 7.031 -27.344 1.00 0.00 C ATOM 632 NZ LYS A 38 5.985 6.638 -28.756 1.00 0.00 N ATOM 0 H LYS A 38 4.051 7.340 -21.694 1.00 0.00 H new ATOM 0 HA LYS A 38 4.155 9.449 -23.716 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.952 6.887 -23.719 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.333 6.679 -24.356 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.835 8.537 -26.033 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.491 8.536 -25.460 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.072 5.835 -25.937 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.086 6.565 -27.189 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.431 8.092 -27.287 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.034 6.486 -26.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.848 6.840 -29.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.774 5.621 -28.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.190 7.177 -29.156 1.00 0.00 H new ATOM 646 N PHE A 39 1.387 8.181 -22.591 1.00 0.00 N ATOM 647 CA PHE A 39 -0.058 8.339 -22.589 1.00 0.00 C ATOM 648 C PHE A 39 -0.505 9.276 -21.466 1.00 0.00 C ATOM 649 O PHE A 39 -1.622 9.162 -20.965 1.00 0.00 O ATOM 650 CB PHE A 39 -0.658 6.951 -22.347 1.00 0.00 C ATOM 651 CG PHE A 39 -2.186 6.917 -22.407 1.00 0.00 C ATOM 652 CD1 PHE A 39 -2.839 7.503 -23.447 1.00 0.00 C ATOM 653 CD2 PHE A 39 -2.892 6.299 -21.423 1.00 0.00 C ATOM 654 CE1 PHE A 39 -4.259 7.469 -23.502 1.00 0.00 C ATOM 655 CE2 PHE A 39 -4.310 6.266 -21.478 1.00 0.00 C ATOM 656 CZ PHE A 39 -4.963 6.852 -22.518 1.00 0.00 C ATOM 0 H PHE A 39 1.748 7.548 -21.877 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.387 8.767 -23.536 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.260 6.259 -23.089 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.334 6.591 -21.370 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.279 7.993 -24.230 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.373 5.833 -20.599 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.778 7.934 -24.327 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.870 5.776 -20.695 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.042 6.826 -22.561 1.00 0.00 H new ATOM 666 N LEU A 40 0.390 10.183 -21.104 1.00 0.00 N ATOM 667 CA LEU A 40 0.102 11.141 -20.051 1.00 0.00 C ATOM 668 C LEU A 40 -0.939 12.144 -20.550 1.00 0.00 C ATOM 669 O LEU A 40 -2.093 12.112 -20.124 1.00 0.00 O ATOM 670 CB LEU A 40 1.392 11.792 -19.550 1.00 0.00 C ATOM 671 CG LEU A 40 1.409 12.201 -18.075 1.00 0.00 C ATOM 672 CD1 LEU A 40 0.768 11.123 -17.199 1.00 0.00 C ATOM 673 CD2 LEU A 40 2.829 12.542 -17.617 1.00 0.00 C ATOM 0 H LEU A 40 1.316 10.275 -21.522 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.329 10.637 -19.186 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.216 11.100 -19.724 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.587 12.678 -20.154 1.00 0.00 H new ATOM 0 HG LEU A 40 0.809 13.104 -17.964 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.793 11.439 -16.156 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.266 10.971 -17.507 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.320 10.189 -17.309 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.813 12.829 -16.566 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.472 11.671 -17.745 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.215 13.369 -18.213 1.00 0.00 H new ATOM 685 N GLU A 41 -0.496 13.013 -21.447 1.00 0.00 N ATOM 686 CA GLU A 41 -1.375 14.024 -22.009 1.00 0.00 C ATOM 687 C GLU A 41 -2.780 13.453 -22.209 1.00 0.00 C ATOM 688 O GLU A 41 -3.735 13.911 -21.585 1.00 0.00 O ATOM 689 CB GLU A 41 -0.811 14.570 -23.322 1.00 0.00 C ATOM 690 CG GLU A 41 0.362 15.518 -23.065 1.00 0.00 C ATOM 691 CD GLU A 41 1.221 15.681 -24.319 1.00 0.00 C ATOM 692 OE1 GLU A 41 1.333 14.684 -25.064 1.00 0.00 O ATOM 693 OE2 GLU A 41 1.748 16.800 -24.504 1.00 0.00 O ATOM 0 H GLU A 41 0.461 13.038 -21.799 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.439 14.855 -21.306 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.483 13.743 -23.952 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.595 15.096 -23.868 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.015 16.491 -22.749 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.973 15.133 -22.249 1.00 0.00 H new ATOM 700 N GLU A 42 -2.862 12.462 -23.085 1.00 0.00 N ATOM 701 CA GLU A 42 -4.135 11.824 -23.377 1.00 0.00 C ATOM 702 C GLU A 42 -4.853 11.455 -22.078 1.00 0.00 C ATOM 703 O GLU A 42 -4.320 11.663 -20.989 1.00 0.00 O ATOM 704 CB GLU A 42 -3.941 10.593 -24.264 1.00 0.00 C ATOM 705 CG GLU A 42 -3.859 10.988 -25.740 1.00 0.00 C ATOM 706 CD GLU A 42 -2.418 10.904 -26.251 1.00 0.00 C ATOM 707 OE1 GLU A 42 -1.518 11.306 -25.482 1.00 0.00 O ATOM 708 OE2 GLU A 42 -2.249 10.440 -27.398 1.00 0.00 O ATOM 0 H GLU A 42 -2.068 12.085 -23.602 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.757 12.532 -23.925 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.030 10.070 -23.973 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.768 9.899 -24.115 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.497 10.332 -26.332 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.236 12.002 -25.870 1.00 0.00 H new ATOM 715 N HIS A 43 -6.053 10.916 -22.235 1.00 0.00 N ATOM 716 CA HIS A 43 -6.851 10.517 -21.088 1.00 0.00 C ATOM 717 C HIS A 43 -7.707 11.697 -20.623 1.00 0.00 C ATOM 718 O HIS A 43 -7.214 12.818 -20.507 1.00 0.00 O ATOM 719 CB HIS A 43 -5.961 9.956 -19.977 1.00 0.00 C ATOM 720 CG HIS A 43 -6.668 8.994 -19.052 1.00 0.00 C ATOM 721 ND1 HIS A 43 -7.637 9.398 -18.149 1.00 0.00 N ATOM 722 CD2 HIS A 43 -6.538 7.645 -18.898 1.00 0.00 C ATOM 723 CE1 HIS A 43 -8.062 8.332 -17.488 1.00 0.00 C ATOM 724 NE2 HIS A 43 -7.380 7.247 -17.953 1.00 0.00 N ATOM 0 H HIS A 43 -6.492 10.746 -23.140 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.528 9.712 -21.373 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -5.108 9.449 -20.429 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -5.565 10.784 -19.390 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.864 7.008 -19.452 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.817 8.324 -16.716 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -7.498 6.287 -17.628 1.00 0.00 H new ATOM 733 N PRO A 44 -9.007 11.395 -20.362 1.00 0.00 N ATOM 734 CA PRO A 44 -9.936 12.417 -19.911 1.00 0.00 C ATOM 735 C PRO A 44 -9.689 12.776 -18.445 1.00 0.00 C ATOM 736 O PRO A 44 -9.537 13.949 -18.105 1.00 0.00 O ATOM 737 CB PRO A 44 -11.316 11.829 -20.154 1.00 0.00 C ATOM 738 CG PRO A 44 -11.112 10.330 -20.295 1.00 0.00 C ATOM 739 CD PRO A 44 -9.625 10.079 -20.487 1.00 0.00 C ATOM 0 HA PRO A 44 -9.818 13.358 -20.448 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.988 12.055 -19.326 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.766 12.248 -21.054 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.476 9.810 -19.409 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.677 9.946 -21.144 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.240 9.388 -19.737 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.421 9.637 -21.462 1.00 0.00 H new ATOM 747 N GLY A 45 -9.655 11.745 -17.613 1.00 0.00 N ATOM 748 CA GLY A 45 -9.429 11.936 -16.192 1.00 0.00 C ATOM 749 C GLY A 45 -8.251 12.880 -15.946 1.00 0.00 C ATOM 750 O GLY A 45 -8.304 13.728 -15.057 1.00 0.00 O ATOM 0 H GLY A 45 -9.781 10.774 -17.897 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.328 12.342 -15.729 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -9.233 10.974 -15.719 1.00 0.00 H new ATOM 754 N GLY A 46 -7.214 12.704 -16.751 1.00 0.00 N ATOM 755 CA GLY A 46 -6.024 13.529 -16.633 1.00 0.00 C ATOM 756 C GLY A 46 -4.755 12.676 -16.688 1.00 0.00 C ATOM 757 O GLY A 46 -4.808 11.505 -17.061 1.00 0.00 O ATOM 0 H GLY A 46 -7.173 12.001 -17.489 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.007 14.265 -17.437 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.053 14.083 -15.695 1.00 0.00 H new ATOM 761 N GLU A 47 -3.646 13.295 -16.311 1.00 0.00 N ATOM 762 CA GLU A 47 -2.367 12.607 -16.313 1.00 0.00 C ATOM 763 C GLU A 47 -2.207 11.780 -15.035 1.00 0.00 C ATOM 764 O GLU A 47 -1.769 10.632 -15.086 1.00 0.00 O ATOM 765 CB GLU A 47 -1.212 13.596 -16.475 1.00 0.00 C ATOM 766 CG GLU A 47 -1.248 14.261 -17.853 1.00 0.00 C ATOM 767 CD GLU A 47 -2.418 15.241 -17.959 1.00 0.00 C ATOM 768 OE1 GLU A 47 -2.258 16.374 -17.459 1.00 0.00 O ATOM 769 OE2 GLU A 47 -3.448 14.831 -18.538 1.00 0.00 O ATOM 0 H GLU A 47 -3.607 14.266 -16.002 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.343 11.929 -17.166 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.270 14.358 -15.698 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.263 13.077 -16.343 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.311 14.788 -18.031 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.337 13.498 -18.627 1.00 0.00 H new ATOM 776 N GLU A 48 -2.571 12.396 -13.921 1.00 0.00 N ATOM 777 CA GLU A 48 -2.472 11.733 -12.632 1.00 0.00 C ATOM 778 C GLU A 48 -3.103 10.341 -12.703 1.00 0.00 C ATOM 779 O GLU A 48 -2.484 9.353 -12.313 1.00 0.00 O ATOM 780 CB GLU A 48 -3.121 12.574 -11.531 1.00 0.00 C ATOM 781 CG GLU A 48 -2.195 12.698 -10.319 1.00 0.00 C ATOM 782 CD GLU A 48 -2.210 14.123 -9.761 1.00 0.00 C ATOM 783 OE1 GLU A 48 -3.083 14.388 -8.907 1.00 0.00 O ATOM 784 OE2 GLU A 48 -1.349 14.914 -10.203 1.00 0.00 O ATOM 0 H GLU A 48 -2.935 13.348 -13.884 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.417 11.621 -12.382 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.356 13.566 -11.917 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.064 12.118 -11.228 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.508 11.997 -9.545 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.179 12.426 -10.604 1.00 0.00 H new ATOM 791 N VAL A 49 -4.331 10.307 -13.203 1.00 0.00 N ATOM 792 CA VAL A 49 -5.053 9.054 -13.329 1.00 0.00 C ATOM 793 C VAL A 49 -4.088 7.956 -13.783 1.00 0.00 C ATOM 794 O VAL A 49 -4.302 6.779 -13.498 1.00 0.00 O ATOM 795 CB VAL A 49 -6.244 9.228 -14.275 1.00 0.00 C ATOM 796 CG1 VAL A 49 -5.775 9.556 -15.693 1.00 0.00 C ATOM 797 CG2 VAL A 49 -7.138 7.987 -14.266 1.00 0.00 C ATOM 0 H VAL A 49 -4.843 11.128 -13.525 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.461 8.752 -12.364 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.836 10.069 -13.916 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.641 9.674 -16.344 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.200 10.482 -15.681 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.149 8.745 -16.066 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.976 8.137 -14.946 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.561 7.120 -14.588 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.515 7.818 -13.257 1.00 0.00 H new ATOM 807 N LEU A 50 -3.043 8.382 -14.479 1.00 0.00 N ATOM 808 CA LEU A 50 -2.045 7.451 -14.974 1.00 0.00 C ATOM 809 C LEU A 50 -0.805 7.515 -14.078 1.00 0.00 C ATOM 810 O LEU A 50 -0.226 6.485 -13.740 1.00 0.00 O ATOM 811 CB LEU A 50 -1.749 7.717 -16.451 1.00 0.00 C ATOM 812 CG LEU A 50 -2.967 7.823 -17.371 1.00 0.00 C ATOM 813 CD1 LEU A 50 -3.240 9.278 -17.754 1.00 0.00 C ATOM 814 CD2 LEU A 50 -2.806 6.926 -18.599 1.00 0.00 C ATOM 0 H LEU A 50 -2.867 9.360 -14.711 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.422 6.429 -14.927 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.180 8.644 -16.526 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.107 6.918 -16.822 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.840 7.466 -16.825 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.111 9.325 -18.408 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.431 9.862 -16.853 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.373 9.686 -18.274 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.685 7.020 -19.236 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.920 7.228 -19.157 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.698 5.889 -18.281 1.00 0.00 H new ATOM 826 N ARG A 51 -0.437 8.736 -13.719 1.00 0.00 N ATOM 827 CA ARG A 51 0.722 8.950 -12.869 1.00 0.00 C ATOM 828 C ARG A 51 0.480 8.352 -11.482 1.00 0.00 C ATOM 829 O ARG A 51 1.340 7.659 -10.941 1.00 0.00 O ATOM 830 CB ARG A 51 1.036 10.440 -12.728 1.00 0.00 C ATOM 831 CG ARG A 51 2.539 10.671 -12.565 1.00 0.00 C ATOM 832 CD ARG A 51 2.857 11.269 -11.194 1.00 0.00 C ATOM 833 NE ARG A 51 3.939 12.271 -11.317 1.00 0.00 N ATOM 834 CZ ARG A 51 4.177 13.235 -10.417 1.00 0.00 C ATOM 835 NH1 ARG A 51 3.412 13.332 -9.321 1.00 0.00 N ATOM 836 NH2 ARG A 51 5.181 14.100 -10.611 1.00 0.00 N ATOM 0 H ARG A 51 -0.921 9.588 -14.001 1.00 0.00 H new ATOM 0 HA ARG A 51 1.573 8.456 -13.338 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.675 10.976 -13.606 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.506 10.847 -11.866 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.071 9.727 -12.686 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.895 11.340 -13.349 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.965 11.735 -10.776 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.158 10.480 -10.505 1.00 0.00 H new ATOM 0 HE ARG A 51 4.542 12.225 -12.139 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.649 12.672 -9.172 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.593 14.066 -8.636 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.765 14.025 -11.444 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.362 14.834 -9.926 1.00 0.00 H new ATOM 850 N GLU A 52 -0.697 8.640 -10.945 1.00 0.00 N ATOM 851 CA GLU A 52 -1.064 8.140 -9.631 1.00 0.00 C ATOM 852 C GLU A 52 -1.016 6.611 -9.613 1.00 0.00 C ATOM 853 O GLU A 52 -0.901 6.003 -8.551 1.00 0.00 O ATOM 854 CB GLU A 52 -2.444 8.651 -9.216 1.00 0.00 C ATOM 855 CG GLU A 52 -2.356 9.498 -7.946 1.00 0.00 C ATOM 856 CD GLU A 52 -2.312 8.615 -6.699 1.00 0.00 C ATOM 857 OE1 GLU A 52 -3.145 7.685 -6.632 1.00 0.00 O ATOM 858 OE2 GLU A 52 -1.446 8.888 -5.838 1.00 0.00 O ATOM 0 H GLU A 52 -1.409 9.214 -11.397 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.342 8.515 -8.906 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.874 9.244 -10.023 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.113 7.807 -9.049 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.465 10.124 -7.984 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.214 10.168 -7.891 1.00 0.00 H new ATOM 865 N GLN A 53 -1.108 6.034 -10.802 1.00 0.00 N ATOM 866 CA GLN A 53 -1.078 4.588 -10.937 1.00 0.00 C ATOM 867 C GLN A 53 0.325 4.120 -11.331 1.00 0.00 C ATOM 868 O GLN A 53 0.720 2.998 -11.019 1.00 0.00 O ATOM 869 CB GLN A 53 -2.121 4.109 -11.950 1.00 0.00 C ATOM 870 CG GLN A 53 -1.828 4.668 -13.343 1.00 0.00 C ATOM 871 CD GLN A 53 -2.738 4.027 -14.394 1.00 0.00 C ATOM 872 OE1 GLN A 53 -2.421 3.012 -14.991 1.00 0.00 O ATOM 873 NE2 GLN A 53 -3.884 4.676 -14.583 1.00 0.00 N ATOM 0 H GLN A 53 -1.203 6.542 -11.681 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.329 4.148 -9.972 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.126 3.020 -11.985 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.115 4.422 -11.630 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.972 5.748 -13.343 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.785 4.485 -13.600 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.086 5.521 -14.048 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.561 4.329 -15.262 1.00 0.00 H new ATOM 882 N ALA A 54 1.038 5.006 -12.013 1.00 0.00 N ATOM 883 CA ALA A 54 2.390 4.699 -12.453 1.00 0.00 C ATOM 884 C ALA A 54 3.233 4.284 -11.245 1.00 0.00 C ATOM 885 O ALA A 54 3.220 4.956 -10.214 1.00 0.00 O ATOM 886 CB ALA A 54 2.975 5.906 -13.187 1.00 0.00 C ATOM 0 H ALA A 54 0.706 5.935 -12.271 1.00 0.00 H new ATOM 0 HA ALA A 54 2.385 3.864 -13.154 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.988 5.676 -13.516 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.356 6.140 -14.053 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.998 6.764 -12.515 1.00 0.00 H new ATOM 892 N GLY A 55 3.946 3.180 -11.412 1.00 0.00 N ATOM 893 CA GLY A 55 4.794 2.670 -10.349 1.00 0.00 C ATOM 894 C GLY A 55 4.394 1.244 -9.966 1.00 0.00 C ATOM 895 O GLY A 55 4.781 0.749 -8.908 1.00 0.00 O ATOM 0 H GLY A 55 3.954 2.625 -12.268 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.835 2.686 -10.670 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.720 3.319 -9.477 1.00 0.00 H new ATOM 899 N GLY A 56 3.624 0.622 -10.847 1.00 0.00 N ATOM 900 CA GLY A 56 3.169 -0.737 -10.615 1.00 0.00 C ATOM 901 C GLY A 56 1.951 -1.063 -11.482 1.00 0.00 C ATOM 902 O GLY A 56 1.589 -0.288 -12.366 1.00 0.00 O ATOM 0 H GLY A 56 3.304 1.035 -11.723 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.975 -1.437 -10.836 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.915 -0.865 -9.563 1.00 0.00 H new ATOM 906 N ASP A 57 1.351 -2.210 -11.199 1.00 0.00 N ATOM 907 CA ASP A 57 0.182 -2.647 -11.943 1.00 0.00 C ATOM 908 C ASP A 57 -0.974 -1.679 -11.682 1.00 0.00 C ATOM 909 O ASP A 57 -1.278 -1.364 -10.533 1.00 0.00 O ATOM 910 CB ASP A 57 -0.262 -4.043 -11.499 1.00 0.00 C ATOM 911 CG ASP A 57 -1.776 -4.241 -11.409 1.00 0.00 C ATOM 912 OD1 ASP A 57 -2.403 -4.328 -12.487 1.00 0.00 O ATOM 913 OD2 ASP A 57 -2.274 -4.302 -10.264 1.00 0.00 O ATOM 0 H ASP A 57 1.653 -2.850 -10.464 1.00 0.00 H new ATOM 0 HA ASP A 57 0.444 -2.670 -13.001 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.144 -4.776 -12.196 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.176 -4.254 -10.523 1.00 0.00 H new ATOM 918 N ALA A 58 -1.586 -1.232 -12.771 1.00 0.00 N ATOM 919 CA ALA A 58 -2.701 -0.306 -12.674 1.00 0.00 C ATOM 920 C ALA A 58 -3.983 -1.011 -13.117 1.00 0.00 C ATOM 921 O ALA A 58 -5.084 -0.565 -12.796 1.00 0.00 O ATOM 922 CB ALA A 58 -2.402 0.941 -13.510 1.00 0.00 C ATOM 0 H ALA A 58 -1.330 -1.494 -13.723 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.843 0.018 -11.643 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.238 1.636 -13.438 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.497 1.421 -13.137 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.257 0.655 -14.552 1.00 0.00 H new ATOM 928 N THR A 59 -3.800 -2.101 -13.848 1.00 0.00 N ATOM 929 CA THR A 59 -4.929 -2.873 -14.338 1.00 0.00 C ATOM 930 C THR A 59 -5.945 -3.102 -13.218 1.00 0.00 C ATOM 931 O THR A 59 -7.147 -2.941 -13.424 1.00 0.00 O ATOM 932 CB THR A 59 -4.388 -4.170 -14.944 1.00 0.00 C ATOM 933 OG1 THR A 59 -5.164 -4.352 -16.125 1.00 0.00 O ATOM 934 CG2 THR A 59 -4.717 -5.396 -14.089 1.00 0.00 C ATOM 0 H THR A 59 -2.886 -2.468 -14.113 1.00 0.00 H new ATOM 0 HA THR A 59 -5.468 -2.334 -15.117 1.00 0.00 H new ATOM 0 HB THR A 59 -3.308 -4.091 -15.066 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.519 -5.265 -16.146 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.311 -6.290 -14.563 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.276 -5.278 -13.099 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.798 -5.495 -13.995 1.00 0.00 H new ATOM 942 N GLU A 60 -5.425 -3.474 -12.058 1.00 0.00 N ATOM 943 CA GLU A 60 -6.272 -3.727 -10.905 1.00 0.00 C ATOM 944 C GLU A 60 -7.279 -2.588 -10.726 1.00 0.00 C ATOM 945 O GLU A 60 -8.419 -2.820 -10.328 1.00 0.00 O ATOM 946 CB GLU A 60 -5.433 -3.921 -9.640 1.00 0.00 C ATOM 947 CG GLU A 60 -5.423 -5.388 -9.209 1.00 0.00 C ATOM 948 CD GLU A 60 -4.011 -5.971 -9.279 1.00 0.00 C ATOM 949 OE1 GLU A 60 -3.229 -5.680 -8.346 1.00 0.00 O ATOM 950 OE2 GLU A 60 -3.742 -6.694 -10.262 1.00 0.00 O ATOM 0 H GLU A 60 -4.427 -3.606 -11.892 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.824 -4.650 -11.080 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.412 -3.584 -9.821 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.834 -3.305 -8.835 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.806 -5.474 -8.192 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.090 -5.964 -9.851 1.00 0.00 H new ATOM 957 N ASN A 61 -6.819 -1.383 -11.029 1.00 0.00 N ATOM 958 CA ASN A 61 -7.667 -0.208 -10.906 1.00 0.00 C ATOM 959 C ASN A 61 -8.341 0.071 -12.251 1.00 0.00 C ATOM 960 O ASN A 61 -9.560 0.221 -12.318 1.00 0.00 O ATOM 961 CB ASN A 61 -6.845 1.024 -10.523 1.00 0.00 C ATOM 962 CG ASN A 61 -7.430 1.711 -9.288 1.00 0.00 C ATOM 963 OD1 ASN A 61 -6.860 1.698 -8.209 1.00 0.00 O ATOM 964 ND2 ASN A 61 -8.598 2.310 -9.504 1.00 0.00 N ATOM 0 H ASN A 61 -5.872 -1.194 -11.359 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.407 -0.404 -10.130 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.814 0.731 -10.326 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.823 1.725 -11.357 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -9.071 2.796 -8.742 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -9.021 2.283 -10.432 1.00 0.00 H new ATOM 971 N PHE A 62 -7.518 0.137 -13.287 1.00 0.00 N ATOM 972 CA PHE A 62 -8.019 0.397 -14.626 1.00 0.00 C ATOM 973 C PHE A 62 -9.201 -0.517 -14.955 1.00 0.00 C ATOM 974 O PHE A 62 -10.012 -0.200 -15.824 1.00 0.00 O ATOM 975 CB PHE A 62 -6.875 0.101 -15.597 1.00 0.00 C ATOM 976 CG PHE A 62 -7.294 -0.714 -16.822 1.00 0.00 C ATOM 977 CD1 PHE A 62 -7.534 -2.047 -16.702 1.00 0.00 C ATOM 978 CD2 PHE A 62 -7.426 -0.105 -18.031 1.00 0.00 C ATOM 979 CE1 PHE A 62 -7.923 -2.803 -17.840 1.00 0.00 C ATOM 980 CE2 PHE A 62 -7.815 -0.861 -19.169 1.00 0.00 C ATOM 981 CZ PHE A 62 -8.056 -2.195 -19.049 1.00 0.00 C ATOM 0 H PHE A 62 -6.507 0.015 -13.226 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.360 1.430 -14.702 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.443 1.044 -15.931 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.091 -0.438 -15.065 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.429 -2.531 -15.742 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.235 0.954 -18.126 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.113 -3.862 -17.745 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.919 -0.377 -20.129 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.353 -2.770 -19.913 1.00 0.00 H new ATOM 991 N GLU A 63 -9.263 -1.633 -14.243 1.00 0.00 N ATOM 992 CA GLU A 63 -10.331 -2.595 -14.450 1.00 0.00 C ATOM 993 C GLU A 63 -11.587 -2.161 -13.693 1.00 0.00 C ATOM 994 O GLU A 63 -12.703 -2.334 -14.183 1.00 0.00 O ATOM 995 CB GLU A 63 -9.894 -3.999 -14.028 1.00 0.00 C ATOM 996 CG GLU A 63 -9.176 -4.716 -15.173 1.00 0.00 C ATOM 997 CD GLU A 63 -9.794 -6.093 -15.432 1.00 0.00 C ATOM 998 OE1 GLU A 63 -11.034 -6.138 -15.581 1.00 0.00 O ATOM 999 OE2 GLU A 63 -9.012 -7.067 -15.473 1.00 0.00 O ATOM 0 H GLU A 63 -8.590 -1.892 -13.522 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.564 -2.628 -15.514 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.233 -3.934 -13.164 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.765 -4.578 -13.721 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.234 -4.112 -16.078 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.119 -4.828 -14.931 1.00 0.00 H new ATOM 1006 N ASP A 64 -11.366 -1.607 -12.510 1.00 0.00 N ATOM 1007 CA ASP A 64 -12.467 -1.148 -11.681 1.00 0.00 C ATOM 1008 C ASP A 64 -13.189 0.001 -12.389 1.00 0.00 C ATOM 1009 O ASP A 64 -14.376 0.225 -12.162 1.00 0.00 O ATOM 1010 CB ASP A 64 -11.962 -0.630 -10.332 1.00 0.00 C ATOM 1011 CG ASP A 64 -12.760 -1.107 -9.118 1.00 0.00 C ATOM 1012 OD1 ASP A 64 -12.694 -2.322 -8.837 1.00 0.00 O ATOM 1013 OD2 ASP A 64 -13.417 -0.245 -8.496 1.00 0.00 O ATOM 0 H ASP A 64 -10.440 -1.466 -12.106 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.138 -1.991 -11.515 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -10.923 -0.936 -10.208 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -11.974 0.460 -10.351 1.00 0.00 H new ATOM 1018 N VAL A 65 -12.439 0.698 -13.230 1.00 0.00 N ATOM 1019 CA VAL A 65 -12.992 1.818 -13.973 1.00 0.00 C ATOM 1020 C VAL A 65 -13.580 1.311 -15.291 1.00 0.00 C ATOM 1021 O VAL A 65 -14.049 2.099 -16.111 1.00 0.00 O ATOM 1022 CB VAL A 65 -11.923 2.894 -14.169 1.00 0.00 C ATOM 1023 CG1 VAL A 65 -10.545 2.381 -13.749 1.00 0.00 C ATOM 1024 CG2 VAL A 65 -11.906 3.392 -15.617 1.00 0.00 C ATOM 0 H VAL A 65 -11.454 0.509 -13.413 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.804 2.283 -13.414 1.00 0.00 H new ATOM 0 HB VAL A 65 -12.175 3.738 -13.527 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.803 3.166 -13.899 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.567 2.099 -12.696 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.281 1.512 -14.352 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.137 4.156 -15.730 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.690 2.559 -16.286 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.879 3.816 -15.867 1.00 0.00 H new ATOM 1034 N GLY A 66 -13.536 -0.004 -15.455 1.00 0.00 N ATOM 1035 CA GLY A 66 -14.057 -0.627 -16.660 1.00 0.00 C ATOM 1036 C GLY A 66 -13.765 0.235 -17.891 1.00 0.00 C ATOM 1037 O GLY A 66 -14.630 0.979 -18.352 1.00 0.00 O ATOM 0 H GLY A 66 -13.147 -0.655 -14.773 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.610 -1.613 -16.787 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -15.132 -0.775 -16.562 1.00 0.00 H new ATOM 1041 N HIS A 67 -12.545 0.103 -18.389 1.00 0.00 N ATOM 1042 CA HIS A 67 -12.128 0.858 -19.558 1.00 0.00 C ATOM 1043 C HIS A 67 -12.764 0.257 -20.811 1.00 0.00 C ATOM 1044 O HIS A 67 -13.507 -0.721 -20.728 1.00 0.00 O ATOM 1045 CB HIS A 67 -10.602 0.929 -19.644 1.00 0.00 C ATOM 1046 CG HIS A 67 -9.981 1.942 -18.711 1.00 0.00 C ATOM 1047 ND1 HIS A 67 -9.944 1.773 -17.338 1.00 0.00 N ATOM 1048 CD2 HIS A 67 -9.373 3.136 -18.969 1.00 0.00 C ATOM 1049 CE1 HIS A 67 -9.340 2.823 -16.803 1.00 0.00 C ATOM 1050 NE2 HIS A 67 -8.987 3.667 -17.816 1.00 0.00 N ATOM 0 H HIS A 67 -11.831 -0.516 -18.004 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.477 1.887 -19.473 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.190 -0.055 -19.422 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -10.317 1.170 -20.668 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -10.319 0.975 -16.825 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -9.230 3.574 -19.946 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.159 2.983 -15.750 1.00 0.00 H new ATOM 1059 N SER A 68 -12.451 0.865 -21.947 1.00 0.00 N ATOM 1060 CA SER A 68 -12.983 0.401 -23.216 1.00 0.00 C ATOM 1061 C SER A 68 -11.906 -0.362 -23.988 1.00 0.00 C ATOM 1062 O SER A 68 -10.713 -0.129 -23.791 1.00 0.00 O ATOM 1063 CB SER A 68 -13.509 1.569 -24.054 1.00 0.00 C ATOM 1064 OG SER A 68 -12.483 2.163 -24.845 1.00 0.00 O ATOM 0 H SER A 68 -11.835 1.675 -22.014 1.00 0.00 H new ATOM 0 HA SER A 68 -13.818 -0.269 -23.011 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.310 1.217 -24.704 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.941 2.322 -23.395 1.00 0.00 H new ATOM 0 HG SER A 68 -12.816 2.995 -25.241 1.00 0.00 H new ATOM 1070 N THR A 69 -12.363 -1.257 -24.851 1.00 0.00 N ATOM 1071 CA THR A 69 -11.452 -2.056 -25.653 1.00 0.00 C ATOM 1072 C THR A 69 -10.533 -1.152 -26.478 1.00 0.00 C ATOM 1073 O THR A 69 -9.454 -1.570 -26.894 1.00 0.00 O ATOM 1074 CB THR A 69 -12.287 -3.012 -26.507 1.00 0.00 C ATOM 1075 OG1 THR A 69 -12.519 -4.129 -25.650 1.00 0.00 O ATOM 1076 CG2 THR A 69 -11.495 -3.599 -27.677 1.00 0.00 C ATOM 0 H THR A 69 -13.352 -1.447 -25.013 1.00 0.00 H new ATOM 0 HA THR A 69 -10.791 -2.651 -25.023 1.00 0.00 H new ATOM 0 HB THR A 69 -13.162 -2.486 -26.890 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.056 -4.798 -26.123 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.135 -4.270 -28.250 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.146 -2.792 -28.322 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.638 -4.154 -27.294 1.00 0.00 H new ATOM 1084 N ASP A 70 -10.997 0.071 -26.690 1.00 0.00 N ATOM 1085 CA ASP A 70 -10.231 1.040 -27.457 1.00 0.00 C ATOM 1086 C ASP A 70 -9.063 1.547 -26.610 1.00 0.00 C ATOM 1087 O ASP A 70 -7.929 1.607 -27.082 1.00 0.00 O ATOM 1088 CB ASP A 70 -11.094 2.243 -27.843 1.00 0.00 C ATOM 1089 CG ASP A 70 -10.411 3.259 -28.762 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -9.837 2.810 -29.777 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -10.480 4.461 -28.428 1.00 0.00 O ATOM 0 H ASP A 70 -11.893 0.413 -26.344 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.874 0.548 -28.362 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.997 1.881 -28.334 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.409 2.753 -26.932 1.00 0.00 H new ATOM 1096 N ALA A 71 -9.380 1.899 -25.372 1.00 0.00 N ATOM 1097 CA ALA A 71 -8.371 2.399 -24.455 1.00 0.00 C ATOM 1098 C ALA A 71 -7.280 1.340 -24.277 1.00 0.00 C ATOM 1099 O ALA A 71 -6.092 1.656 -24.319 1.00 0.00 O ATOM 1100 CB ALA A 71 -9.032 2.783 -23.130 1.00 0.00 C ATOM 0 H ALA A 71 -10.322 1.848 -24.983 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.898 3.295 -24.856 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.275 3.158 -22.441 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.778 3.558 -23.307 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.514 1.907 -22.697 1.00 0.00 H new ATOM 1106 N ARG A 72 -7.724 0.107 -24.082 1.00 0.00 N ATOM 1107 CA ARG A 72 -6.798 -0.999 -23.897 1.00 0.00 C ATOM 1108 C ARG A 72 -5.929 -1.177 -25.144 1.00 0.00 C ATOM 1109 O ARG A 72 -4.722 -1.390 -25.037 1.00 0.00 O ATOM 1110 CB ARG A 72 -7.549 -2.303 -23.617 1.00 0.00 C ATOM 1111 CG ARG A 72 -8.531 -2.132 -22.456 1.00 0.00 C ATOM 1112 CD ARG A 72 -9.194 -3.463 -22.097 1.00 0.00 C ATOM 1113 NE ARG A 72 -8.172 -4.430 -21.639 1.00 0.00 N ATOM 1114 CZ ARG A 72 -8.454 -5.584 -21.019 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -9.728 -5.921 -20.780 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -7.461 -6.399 -20.638 1.00 0.00 N ATOM 0 H ARG A 72 -8.710 -0.151 -24.048 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.166 -0.765 -23.040 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.088 -2.615 -24.511 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.837 -3.094 -23.382 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.006 -1.737 -21.586 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.295 -1.402 -22.726 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.937 -3.309 -21.315 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.721 -3.862 -22.964 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.191 -4.204 -21.806 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.483 -5.299 -21.070 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -9.943 -6.799 -20.308 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.491 -6.141 -20.820 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.675 -7.278 -20.166 1.00 0.00 H new ATOM 1130 N GLU A 73 -6.576 -1.083 -26.296 1.00 0.00 N ATOM 1131 CA GLU A 73 -5.876 -1.231 -27.561 1.00 0.00 C ATOM 1132 C GLU A 73 -4.903 -0.069 -27.769 1.00 0.00 C ATOM 1133 O GLU A 73 -3.797 -0.262 -28.271 1.00 0.00 O ATOM 1134 CB GLU A 73 -6.864 -1.335 -28.725 1.00 0.00 C ATOM 1135 CG GLU A 73 -6.681 -2.650 -29.485 1.00 0.00 C ATOM 1136 CD GLU A 73 -7.829 -2.878 -30.470 1.00 0.00 C ATOM 1137 OE1 GLU A 73 -8.166 -1.909 -31.182 1.00 0.00 O ATOM 1138 OE2 GLU A 73 -8.343 -4.018 -30.489 1.00 0.00 O ATOM 0 H GLU A 73 -7.577 -0.906 -26.380 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.302 -2.157 -27.530 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.884 -1.268 -28.347 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.720 -0.495 -29.405 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.733 -2.634 -30.023 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.633 -3.479 -28.779 1.00 0.00 H new ATOM 1145 N LEU A 74 -5.351 1.112 -27.372 1.00 0.00 N ATOM 1146 CA LEU A 74 -4.533 2.307 -27.508 1.00 0.00 C ATOM 1147 C LEU A 74 -3.237 2.125 -26.714 1.00 0.00 C ATOM 1148 O LEU A 74 -2.166 2.521 -27.171 1.00 0.00 O ATOM 1149 CB LEU A 74 -5.331 3.551 -27.110 1.00 0.00 C ATOM 1150 CG LEU A 74 -4.839 4.292 -25.865 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -3.926 5.459 -26.247 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -6.013 4.745 -24.996 1.00 0.00 C ATOM 0 H LEU A 74 -6.269 1.268 -26.956 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.250 2.460 -28.549 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.325 4.247 -27.949 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.368 3.257 -26.948 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.245 3.599 -25.268 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.590 5.969 -25.344 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.062 5.081 -26.793 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.475 6.159 -26.876 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.635 5.269 -24.118 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.654 5.414 -25.570 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.588 3.875 -24.680 1.00 0.00 H new ATOM 1164 N SER A 75 -3.379 1.529 -25.541 1.00 0.00 N ATOM 1165 CA SER A 75 -2.234 1.291 -24.679 1.00 0.00 C ATOM 1166 C SER A 75 -1.251 0.339 -25.365 1.00 0.00 C ATOM 1167 O SER A 75 -0.053 0.374 -25.091 1.00 0.00 O ATOM 1168 CB SER A 75 -2.669 0.720 -23.327 1.00 0.00 C ATOM 1169 OG SER A 75 -4.086 0.582 -23.238 1.00 0.00 O ATOM 0 H SER A 75 -4.270 1.203 -25.166 1.00 0.00 H new ATOM 0 HA SER A 75 -1.740 2.245 -24.497 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.200 -0.252 -23.176 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.317 1.372 -22.528 1.00 0.00 H new ATOM 0 HG SER A 75 -4.514 1.416 -23.524 1.00 0.00 H new ATOM 1175 N LYS A 76 -1.796 -0.489 -26.244 1.00 0.00 N ATOM 1176 CA LYS A 76 -0.982 -1.449 -26.972 1.00 0.00 C ATOM 1177 C LYS A 76 0.072 -0.700 -27.791 1.00 0.00 C ATOM 1178 O LYS A 76 1.085 -1.278 -28.180 1.00 0.00 O ATOM 1179 CB LYS A 76 -1.867 -2.375 -27.807 1.00 0.00 C ATOM 1180 CG LYS A 76 -1.820 -1.991 -29.288 1.00 0.00 C ATOM 1181 CD LYS A 76 -2.791 -2.842 -30.108 1.00 0.00 C ATOM 1182 CE LYS A 76 -2.068 -3.547 -31.258 1.00 0.00 C ATOM 1183 NZ LYS A 76 -1.738 -4.940 -30.885 1.00 0.00 N ATOM 0 H LYS A 76 -2.791 -0.515 -26.469 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.445 -2.098 -26.280 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.537 -3.407 -27.685 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.895 -2.324 -27.447 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.071 -0.936 -29.402 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.807 -2.121 -29.669 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.264 -3.583 -29.463 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.586 -2.211 -30.506 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.697 -3.542 -32.148 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.156 -3.005 -31.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.248 -5.404 -31.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.121 -4.938 -30.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.613 -5.458 -30.668 1.00 0.00 H new ATOM 1197 N THR A 77 -0.205 0.574 -28.027 1.00 0.00 N ATOM 1198 CA THR A 77 0.707 1.407 -28.792 1.00 0.00 C ATOM 1199 C THR A 77 1.738 2.058 -27.869 1.00 0.00 C ATOM 1200 O THR A 77 2.747 2.588 -28.333 1.00 0.00 O ATOM 1201 CB THR A 77 -0.127 2.419 -29.581 1.00 0.00 C ATOM 1202 OG1 THR A 77 0.745 2.851 -30.623 1.00 0.00 O ATOM 1203 CG2 THR A 77 -0.411 3.692 -28.783 1.00 0.00 C ATOM 0 H THR A 77 -1.047 1.049 -27.702 1.00 0.00 H new ATOM 0 HA THR A 77 1.283 0.814 -29.502 1.00 0.00 H new ATOM 0 HB THR A 77 -1.069 1.959 -29.879 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.283 3.508 -31.184 1.00 0.00 H new ATOM 0 HG21 THR A 77 -1.006 4.376 -29.389 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.961 3.438 -27.877 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.531 4.171 -28.514 1.00 0.00 H new ATOM 1211 N PHE A 78 1.450 1.997 -26.577 1.00 0.00 N ATOM 1212 CA PHE A 78 2.340 2.574 -25.583 1.00 0.00 C ATOM 1213 C PHE A 78 3.117 1.483 -24.844 1.00 0.00 C ATOM 1214 O PHE A 78 4.039 1.779 -24.086 1.00 0.00 O ATOM 1215 CB PHE A 78 1.463 3.326 -24.581 1.00 0.00 C ATOM 1216 CG PHE A 78 0.933 4.666 -25.099 1.00 0.00 C ATOM 1217 CD1 PHE A 78 1.785 5.558 -25.671 1.00 0.00 C ATOM 1218 CD2 PHE A 78 -0.389 4.964 -24.986 1.00 0.00 C ATOM 1219 CE1 PHE A 78 1.294 6.800 -26.151 1.00 0.00 C ATOM 1220 CE2 PHE A 78 -0.880 6.207 -25.467 1.00 0.00 C ATOM 1221 CZ PHE A 78 -0.029 7.098 -26.040 1.00 0.00 C ATOM 0 H PHE A 78 0.613 1.557 -26.195 1.00 0.00 H new ATOM 0 HA PHE A 78 3.062 3.232 -26.067 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.618 2.694 -24.308 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.037 3.501 -23.671 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.835 5.321 -25.760 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.065 4.256 -24.531 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.971 7.509 -26.605 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.930 6.444 -25.377 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.403 8.042 -26.407 1.00 0.00 H new ATOM 1231 N ILE A 79 2.717 0.245 -25.091 1.00 0.00 N ATOM 1232 CA ILE A 79 3.365 -0.892 -24.459 1.00 0.00 C ATOM 1233 C ILE A 79 4.865 -0.848 -24.757 1.00 0.00 C ATOM 1234 O ILE A 79 5.270 -0.789 -25.916 1.00 0.00 O ATOM 1235 CB ILE A 79 2.691 -2.197 -24.884 1.00 0.00 C ATOM 1236 CG1 ILE A 79 1.496 -2.517 -23.985 1.00 0.00 C ATOM 1237 CG2 ILE A 79 3.701 -3.346 -24.926 1.00 0.00 C ATOM 1238 CD1 ILE A 79 1.199 -4.017 -23.979 1.00 0.00 C ATOM 0 H ILE A 79 1.952 0.004 -25.721 1.00 0.00 H new ATOM 0 HA ILE A 79 3.253 -0.841 -23.376 1.00 0.00 H new ATOM 0 HB ILE A 79 2.306 -2.068 -25.895 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.700 -2.179 -22.969 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.619 -1.971 -24.332 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.197 -4.263 -25.231 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.490 -3.111 -25.640 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.137 -3.484 -23.936 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.345 -4.216 -23.332 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.971 -4.347 -24.993 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.069 -4.559 -23.608 1.00 0.00 H new ATOM 1250 N ILE A 80 5.649 -0.879 -23.688 1.00 0.00 N ATOM 1251 CA ILE A 80 7.095 -0.843 -23.819 1.00 0.00 C ATOM 1252 C ILE A 80 7.667 -2.223 -23.484 1.00 0.00 C ATOM 1253 O ILE A 80 8.779 -2.554 -23.892 1.00 0.00 O ATOM 1254 CB ILE A 80 7.682 0.288 -22.976 1.00 0.00 C ATOM 1255 CG1 ILE A 80 6.772 0.617 -21.791 1.00 0.00 C ATOM 1256 CG2 ILE A 80 7.973 1.520 -23.835 1.00 0.00 C ATOM 1257 CD1 ILE A 80 6.839 -0.479 -20.726 1.00 0.00 C ATOM 0 H ILE A 80 5.309 -0.929 -22.728 1.00 0.00 H new ATOM 0 HA ILE A 80 7.379 -0.621 -24.848 1.00 0.00 H new ATOM 0 HB ILE A 80 8.634 -0.050 -22.567 1.00 0.00 H new ATOM 0 HG12 ILE A 80 7.068 1.571 -21.355 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.745 0.730 -22.137 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.390 2.309 -23.210 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.688 1.259 -24.615 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.048 1.871 -24.293 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.183 -0.220 -19.895 1.00 0.00 H new ATOM 0 HD12 ILE A 80 6.519 -1.427 -21.159 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.863 -0.573 -20.364 1.00 0.00 H new ATOM 1269 N GLY A 81 6.881 -2.990 -22.744 1.00 0.00 N ATOM 1270 CA GLY A 81 7.295 -4.325 -22.349 1.00 0.00 C ATOM 1271 C GLY A 81 6.178 -5.044 -21.588 1.00 0.00 C ATOM 1272 O GLY A 81 4.999 -4.763 -21.799 1.00 0.00 O ATOM 0 H GLY A 81 5.959 -2.712 -22.407 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.567 -4.902 -23.233 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.185 -4.263 -21.723 1.00 0.00 H new ATOM 1276 N GLU A 82 6.589 -5.958 -20.722 1.00 0.00 N ATOM 1277 CA GLU A 82 5.637 -6.718 -19.931 1.00 0.00 C ATOM 1278 C GLU A 82 6.261 -7.118 -18.591 1.00 0.00 C ATOM 1279 O GLU A 82 7.481 -7.086 -18.436 1.00 0.00 O ATOM 1280 CB GLU A 82 5.147 -7.948 -20.695 1.00 0.00 C ATOM 1281 CG GLU A 82 5.199 -7.710 -22.207 1.00 0.00 C ATOM 1282 CD GLU A 82 4.661 -8.922 -22.971 1.00 0.00 C ATOM 1283 OE1 GLU A 82 5.331 -9.976 -22.908 1.00 0.00 O ATOM 1284 OE2 GLU A 82 3.592 -8.768 -23.601 1.00 0.00 O ATOM 0 H GLU A 82 7.568 -6.189 -20.551 1.00 0.00 H new ATOM 0 HA GLU A 82 4.772 -6.085 -19.734 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.762 -8.810 -20.437 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.126 -8.184 -20.395 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.613 -6.826 -22.460 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.226 -7.510 -22.512 1.00 0.00 H new ATOM 1291 N LEU A 83 5.397 -7.489 -17.659 1.00 0.00 N ATOM 1292 CA LEU A 83 5.847 -7.896 -16.339 1.00 0.00 C ATOM 1293 C LEU A 83 6.487 -9.282 -16.428 1.00 0.00 C ATOM 1294 O LEU A 83 5.830 -10.250 -16.807 1.00 0.00 O ATOM 1295 CB LEU A 83 4.699 -7.813 -15.331 1.00 0.00 C ATOM 1296 CG LEU A 83 5.105 -7.680 -13.861 1.00 0.00 C ATOM 1297 CD1 LEU A 83 6.473 -8.315 -13.611 1.00 0.00 C ATOM 1298 CD2 LEU A 83 5.059 -6.219 -13.410 1.00 0.00 C ATOM 0 H LEU A 83 4.386 -7.516 -17.792 1.00 0.00 H new ATOM 0 HA LEU A 83 6.613 -7.213 -15.971 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.073 -6.960 -15.593 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.083 -8.706 -15.438 1.00 0.00 H new ATOM 0 HG LEU A 83 4.382 -8.226 -13.256 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.738 -8.207 -12.559 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.435 -9.373 -13.869 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.223 -7.818 -14.227 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.352 -6.152 -12.362 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.746 -5.629 -14.017 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.047 -5.833 -13.529 1.00 0.00 H new ATOM 1310 N HIS A 84 7.763 -9.333 -16.073 1.00 0.00 N ATOM 1311 CA HIS A 84 8.500 -10.584 -16.109 1.00 0.00 C ATOM 1312 C HIS A 84 7.923 -11.550 -15.070 1.00 0.00 C ATOM 1313 O HIS A 84 6.939 -11.235 -14.405 1.00 0.00 O ATOM 1314 CB HIS A 84 9.999 -10.339 -15.922 1.00 0.00 C ATOM 1315 CG HIS A 84 10.854 -10.876 -17.044 1.00 0.00 C ATOM 1316 ND1 HIS A 84 10.507 -11.428 -18.242 1.00 0.00 N flip ATOM 1317 CD2 HIS A 84 12.237 -10.877 -16.999 1.00 0.00 C flip ATOM 1318 CE1 HIS A 84 11.619 -11.749 -18.893 1.00 0.00 C flip ATOM 1319 NE2 HIS A 84 12.693 -11.408 -18.123 1.00 0.00 N flip ATOM 0 H HIS A 84 8.305 -8.528 -15.759 1.00 0.00 H new ATOM 0 HA HIS A 84 8.387 -11.048 -17.089 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.172 -9.267 -15.828 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.317 -10.797 -14.985 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.842 -10.507 -16.185 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.666 -12.205 -19.871 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.674 -11.539 -18.370 1.00 0.00 H new ATOM 1328 N PRO A 85 8.578 -12.736 -14.962 1.00 0.00 N ATOM 1329 CA PRO A 85 8.142 -13.749 -14.016 1.00 0.00 C ATOM 1330 C PRO A 85 8.527 -13.366 -12.585 1.00 0.00 C ATOM 1331 O PRO A 85 8.452 -14.191 -11.676 1.00 0.00 O ATOM 1332 CB PRO A 85 8.801 -15.035 -14.485 1.00 0.00 C ATOM 1333 CG PRO A 85 9.946 -14.612 -15.391 1.00 0.00 C ATOM 1334 CD PRO A 85 9.749 -13.143 -15.734 1.00 0.00 C ATOM 0 HA PRO A 85 7.058 -13.860 -13.989 1.00 0.00 H new ATOM 0 HB2 PRO A 85 9.167 -15.617 -13.639 1.00 0.00 H new ATOM 0 HB3 PRO A 85 8.091 -15.664 -15.021 1.00 0.00 H new ATOM 0 HG2 PRO A 85 10.903 -14.763 -14.892 1.00 0.00 H new ATOM 0 HG3 PRO A 85 9.960 -15.217 -16.297 1.00 0.00 H new ATOM 0 HD2 PRO A 85 10.625 -12.553 -15.465 1.00 0.00 H new ATOM 0 HD3 PRO A 85 9.587 -13.004 -16.803 1.00 0.00 H new ATOM 1342 N ASP A 86 8.929 -12.113 -12.431 1.00 0.00 N ATOM 1343 CA ASP A 86 9.327 -11.609 -11.127 1.00 0.00 C ATOM 1344 C ASP A 86 8.077 -11.293 -10.304 1.00 0.00 C ATOM 1345 O ASP A 86 8.106 -11.343 -9.075 1.00 0.00 O ATOM 1346 CB ASP A 86 10.145 -10.324 -11.258 1.00 0.00 C ATOM 1347 CG ASP A 86 9.760 -9.211 -10.281 1.00 0.00 C ATOM 1348 OD1 ASP A 86 10.224 -9.286 -9.123 1.00 0.00 O ATOM 1349 OD2 ASP A 86 9.012 -8.309 -10.717 1.00 0.00 O ATOM 0 H ASP A 86 8.988 -11.431 -13.188 1.00 0.00 H new ATOM 0 HA ASP A 86 9.934 -12.373 -10.642 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.198 -10.565 -11.114 1.00 0.00 H new ATOM 0 HB3 ASP A 86 10.040 -9.946 -12.275 1.00 0.00 H new ATOM 1354 N ASP A 87 7.006 -10.973 -11.017 1.00 0.00 N ATOM 1355 CA ASP A 87 5.746 -10.647 -10.368 1.00 0.00 C ATOM 1356 C ASP A 87 4.692 -10.344 -11.435 1.00 0.00 C ATOM 1357 O ASP A 87 4.034 -9.305 -11.387 1.00 0.00 O ATOM 1358 CB ASP A 87 5.888 -9.410 -9.479 1.00 0.00 C ATOM 1359 CG ASP A 87 6.382 -9.688 -8.058 1.00 0.00 C ATOM 1360 OD1 ASP A 87 5.586 -10.259 -7.282 1.00 0.00 O ATOM 1361 OD2 ASP A 87 7.545 -9.323 -7.780 1.00 0.00 O ATOM 0 H ASP A 87 6.985 -10.933 -12.036 1.00 0.00 H new ATOM 0 HA ASP A 87 5.452 -11.499 -9.755 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.577 -8.714 -9.958 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.921 -8.911 -9.420 1.00 0.00 H new ATOM 1366 N ARG A 88 4.563 -11.270 -12.374 1.00 0.00 N ATOM 1367 CA ARG A 88 3.600 -11.115 -13.451 1.00 0.00 C ATOM 1368 C ARG A 88 2.291 -11.825 -13.099 1.00 0.00 C ATOM 1369 O ARG A 88 1.221 -11.219 -13.144 1.00 0.00 O ATOM 1370 CB ARG A 88 4.144 -11.684 -14.761 1.00 0.00 C ATOM 1371 CG ARG A 88 4.451 -13.178 -14.626 1.00 0.00 C ATOM 1372 CD ARG A 88 5.343 -13.660 -15.773 1.00 0.00 C ATOM 1373 NE ARG A 88 5.573 -15.118 -15.655 1.00 0.00 N ATOM 1374 CZ ARG A 88 6.059 -15.883 -16.642 1.00 0.00 C ATOM 1375 NH1 ARG A 88 6.368 -15.334 -17.824 1.00 0.00 N ATOM 1376 NH2 ARG A 88 6.235 -17.197 -16.444 1.00 0.00 N ATOM 0 H ARG A 88 5.110 -12.130 -12.411 1.00 0.00 H new ATOM 0 HA ARG A 88 3.415 -10.049 -13.580 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.417 -11.529 -15.558 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.049 -11.148 -15.046 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.944 -13.367 -13.673 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.520 -13.745 -14.621 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.873 -13.434 -16.730 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.295 -13.130 -15.752 1.00 0.00 H new ATOM 0 HE ARG A 88 5.348 -15.568 -14.768 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.233 -14.334 -17.973 1.00 0.00 H new ATOM 0 HH12 ARG A 88 6.738 -15.916 -18.576 1.00 0.00 H new ATOM 0 HH21 ARG A 88 5.999 -17.613 -15.543 1.00 0.00 H new ATOM 0 HH22 ARG A 88 6.605 -17.781 -17.194 1.00 0.00 H new ATOM 1390 N SER A 89 2.419 -13.097 -12.754 1.00 0.00 N ATOM 1391 CA SER A 89 1.260 -13.897 -12.395 1.00 0.00 C ATOM 1392 C SER A 89 0.763 -13.499 -11.004 1.00 0.00 C ATOM 1393 O SER A 89 -0.189 -14.084 -10.490 1.00 0.00 O ATOM 1394 CB SER A 89 1.587 -15.391 -12.435 1.00 0.00 C ATOM 1395 OG SER A 89 2.622 -15.736 -11.518 1.00 0.00 O ATOM 0 H SER A 89 3.309 -13.595 -12.715 1.00 0.00 H new ATOM 0 HA SER A 89 0.473 -13.707 -13.125 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.690 -15.965 -12.202 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.890 -15.669 -13.445 1.00 0.00 H new ATOM 0 HG SER A 89 2.800 -16.698 -11.573 1.00 0.00 H new ATOM 1401 N LYS A 90 1.428 -12.506 -10.433 1.00 0.00 N ATOM 1402 CA LYS A 90 1.066 -12.023 -9.111 1.00 0.00 C ATOM 1403 C LYS A 90 0.244 -10.740 -9.249 1.00 0.00 C ATOM 1404 O LYS A 90 -0.207 -10.177 -8.253 1.00 0.00 O ATOM 1405 CB LYS A 90 2.312 -11.865 -8.238 1.00 0.00 C ATOM 1406 CG LYS A 90 2.282 -12.839 -7.059 1.00 0.00 C ATOM 1407 CD LYS A 90 1.468 -12.267 -5.896 1.00 0.00 C ATOM 1408 CE LYS A 90 0.740 -13.380 -5.138 1.00 0.00 C ATOM 1409 NZ LYS A 90 1.250 -13.483 -3.753 1.00 0.00 N ATOM 0 H LYS A 90 2.217 -12.022 -10.862 1.00 0.00 H new ATOM 0 HA LYS A 90 0.437 -12.751 -8.598 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.205 -12.041 -8.837 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.374 -10.842 -7.868 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.851 -13.788 -7.377 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.300 -13.047 -6.728 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.128 -11.729 -5.215 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.744 -11.545 -6.274 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.331 -13.178 -5.123 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.878 -14.330 -5.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.746 -14.243 -3.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.267 -13.698 -3.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.096 -12.581 -3.258 1.00 0.00 H new ATOM 1423 N ILE A 91 0.075 -10.315 -10.493 1.00 0.00 N ATOM 1424 CA ILE A 91 -0.685 -9.108 -10.775 1.00 0.00 C ATOM 1425 C ILE A 91 -1.530 -9.325 -12.032 1.00 0.00 C ATOM 1426 O ILE A 91 -2.700 -8.947 -12.070 1.00 0.00 O ATOM 1427 CB ILE A 91 0.246 -7.897 -10.860 1.00 0.00 C ATOM 1428 CG1 ILE A 91 0.798 -7.729 -12.278 1.00 0.00 C ATOM 1429 CG2 ILE A 91 1.362 -7.990 -9.818 1.00 0.00 C ATOM 1430 CD1 ILE A 91 1.952 -6.726 -12.301 1.00 0.00 C ATOM 0 H ILE A 91 0.451 -10.785 -11.317 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.376 -8.893 -9.960 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.334 -7.003 -10.632 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.141 -8.692 -12.655 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.004 -7.391 -12.944 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.010 -7.117 -9.900 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.926 -8.026 -8.820 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.947 -8.893 -9.991 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.326 -6.625 -13.320 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.599 -5.758 -11.946 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.754 -7.080 -11.653 1.00 0.00 H new ATOM 1442 N THR A 92 -0.904 -9.932 -13.030 1.00 0.00 N ATOM 1443 CA THR A 92 -1.584 -10.202 -14.285 1.00 0.00 C ATOM 1444 C THR A 92 -3.078 -10.430 -14.044 1.00 0.00 C ATOM 1445 O THR A 92 -3.916 -9.880 -14.756 1.00 0.00 O ATOM 1446 CB THR A 92 -0.887 -11.389 -14.954 1.00 0.00 C ATOM 1447 OG1 THR A 92 -1.416 -11.401 -16.277 1.00 0.00 O ATOM 1448 CG2 THR A 92 -1.323 -12.732 -14.365 1.00 0.00 C ATOM 0 H THR A 92 0.066 -10.244 -12.995 1.00 0.00 H new ATOM 0 HA THR A 92 -1.523 -9.348 -14.960 1.00 0.00 H new ATOM 0 HB THR A 92 0.193 -11.282 -14.851 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.017 -12.140 -16.782 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.799 -13.540 -14.875 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.083 -12.758 -13.302 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.398 -12.856 -14.498 1.00 0.00 H new ATOM 1456 N LYS A 93 -3.364 -11.244 -13.038 1.00 0.00 N ATOM 1457 CA LYS A 93 -4.742 -11.553 -12.695 1.00 0.00 C ATOM 1458 C LYS A 93 -4.884 -11.603 -11.172 1.00 0.00 C ATOM 1459 O LYS A 93 -4.270 -12.442 -10.515 1.00 0.00 O ATOM 1460 CB LYS A 93 -5.195 -12.834 -13.397 1.00 0.00 C ATOM 1461 CG LYS A 93 -6.670 -13.125 -13.111 1.00 0.00 C ATOM 1462 CD LYS A 93 -7.334 -13.813 -14.304 1.00 0.00 C ATOM 1463 CE LYS A 93 -8.856 -13.835 -14.145 1.00 0.00 C ATOM 1464 NZ LYS A 93 -9.418 -15.084 -14.708 1.00 0.00 N ATOM 0 H LYS A 93 -2.666 -11.699 -12.450 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.409 -10.769 -13.053 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -5.042 -12.737 -14.472 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -4.584 -13.672 -13.062 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -6.755 -13.758 -12.228 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -7.191 -12.194 -12.887 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -7.068 -13.292 -15.224 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.959 -14.832 -14.396 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -9.119 -13.754 -13.090 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -9.293 -12.973 -14.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -10.452 -15.083 -14.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -9.183 -15.145 -15.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -9.015 -15.902 -14.209 1.00 0.00 H new ATOM 1478 N PRO A 94 -5.719 -10.670 -10.641 1.00 0.00 N ATOM 1479 CA PRO A 94 -5.949 -10.601 -9.208 1.00 0.00 C ATOM 1480 C PRO A 94 -6.866 -11.734 -8.745 1.00 0.00 C ATOM 1481 O PRO A 94 -7.420 -12.463 -9.565 1.00 0.00 O ATOM 1482 CB PRO A 94 -6.544 -9.221 -8.972 1.00 0.00 C ATOM 1483 CG PRO A 94 -7.054 -8.750 -10.324 1.00 0.00 C ATOM 1484 CD PRO A 94 -6.462 -9.660 -11.388 1.00 0.00 C ATOM 0 HA PRO A 94 -5.035 -10.731 -8.628 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -7.353 -9.264 -8.243 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -5.795 -8.535 -8.577 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -8.143 -8.785 -10.355 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -6.763 -7.715 -10.502 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.242 -10.114 -11.999 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.809 -9.107 -12.063 1.00 0.00 H new ATOM 1492 N SER A 95 -6.997 -11.846 -7.431 1.00 0.00 N ATOM 1493 CA SER A 95 -7.837 -12.879 -6.848 1.00 0.00 C ATOM 1494 C SER A 95 -7.877 -12.725 -5.327 1.00 0.00 C ATOM 1495 O SER A 95 -6.834 -12.721 -4.673 1.00 0.00 O ATOM 1496 CB SER A 95 -7.337 -14.275 -7.228 1.00 0.00 C ATOM 1497 OG SER A 95 -6.321 -14.737 -6.342 1.00 0.00 O ATOM 0 H SER A 95 -6.536 -11.239 -6.754 1.00 0.00 H new ATOM 0 HA SER A 95 -8.846 -12.764 -7.244 1.00 0.00 H new ATOM 0 HB2 SER A 95 -8.173 -14.975 -7.218 1.00 0.00 H new ATOM 0 HB3 SER A 95 -6.949 -14.257 -8.246 1.00 0.00 H new ATOM 0 HG SER A 95 -6.045 -14.006 -5.751 1.00 0.00 H new ATOM 1503 N GLU A 96 -9.089 -12.601 -4.809 1.00 0.00 N ATOM 1504 CA GLU A 96 -9.278 -12.446 -3.376 1.00 0.00 C ATOM 1505 C GLU A 96 -10.764 -12.274 -3.053 1.00 0.00 C ATOM 1506 O GLU A 96 -11.506 -11.670 -3.828 1.00 0.00 O ATOM 1507 CB GLU A 96 -8.459 -11.272 -2.838 1.00 0.00 C ATOM 1508 CG GLU A 96 -7.755 -11.646 -1.533 1.00 0.00 C ATOM 1509 CD GLU A 96 -6.240 -11.472 -1.657 1.00 0.00 C ATOM 1510 OE1 GLU A 96 -5.818 -10.316 -1.881 1.00 0.00 O ATOM 1511 OE2 GLU A 96 -5.538 -12.497 -1.527 1.00 0.00 O ATOM 0 H GLU A 96 -9.950 -12.605 -5.355 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.921 -13.350 -2.882 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -7.720 -10.969 -3.580 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -9.112 -10.415 -2.670 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -8.131 -11.023 -0.722 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.986 -12.679 -1.274 1.00 0.00 H new ATOM 1518 N SER A 97 -11.153 -12.811 -1.906 1.00 0.00 N ATOM 1519 CA SER A 97 -12.537 -12.724 -1.471 1.00 0.00 C ATOM 1520 C SER A 97 -12.640 -13.067 0.016 1.00 0.00 C ATOM 1521 O SER A 97 -11.890 -13.904 0.517 1.00 0.00 O ATOM 1522 CB SER A 97 -13.434 -13.650 -2.293 1.00 0.00 C ATOM 1523 OG SER A 97 -13.240 -15.021 -1.952 1.00 0.00 O ATOM 0 H SER A 97 -10.534 -13.308 -1.265 1.00 0.00 H new ATOM 0 HA SER A 97 -12.880 -11.701 -1.627 1.00 0.00 H new ATOM 0 HB2 SER A 97 -14.478 -13.380 -2.132 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.228 -13.507 -3.354 1.00 0.00 H new ATOM 0 HG SER A 97 -13.832 -15.581 -2.497 1.00 0.00 H new ATOM 1529 N ILE A 98 -13.575 -12.404 0.682 1.00 0.00 N ATOM 1530 CA ILE A 98 -13.786 -12.628 2.101 1.00 0.00 C ATOM 1531 C ILE A 98 -15.124 -12.013 2.518 1.00 0.00 C ATOM 1532 O ILE A 98 -15.442 -10.890 2.129 1.00 0.00 O ATOM 1533 CB ILE A 98 -12.593 -12.112 2.908 1.00 0.00 C ATOM 1534 CG1 ILE A 98 -12.510 -12.806 4.269 1.00 0.00 C ATOM 1535 CG2 ILE A 98 -12.643 -10.588 3.045 1.00 0.00 C ATOM 1536 CD1 ILE A 98 -13.744 -12.497 5.120 1.00 0.00 C ATOM 0 H ILE A 98 -14.195 -11.711 0.263 1.00 0.00 H new ATOM 0 HA ILE A 98 -13.847 -13.695 2.313 1.00 0.00 H new ATOM 0 HB ILE A 98 -11.681 -12.358 2.365 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -12.423 -13.883 4.127 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -11.612 -12.480 4.793 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -11.784 -10.246 3.623 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -12.619 -10.133 2.055 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -13.562 -10.298 3.555 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -13.659 -13.003 6.082 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -13.815 -11.421 5.281 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -14.638 -12.847 4.604 1.00 0.00 H new ATOM 1548 N ILE A 99 -15.871 -12.776 3.302 1.00 0.00 N ATOM 1549 CA ILE A 99 -17.167 -12.320 3.774 1.00 0.00 C ATOM 1550 C ILE A 99 -17.285 -12.600 5.274 1.00 0.00 C ATOM 1551 O ILE A 99 -17.046 -13.721 5.721 1.00 0.00 O ATOM 1552 CB ILE A 99 -18.290 -12.942 2.942 1.00 0.00 C ATOM 1553 CG1 ILE A 99 -19.550 -12.074 2.986 1.00 0.00 C ATOM 1554 CG2 ILE A 99 -18.570 -14.379 3.385 1.00 0.00 C ATOM 1555 CD1 ILE A 99 -19.688 -11.242 1.708 1.00 0.00 C ATOM 0 H ILE A 99 -15.604 -13.707 3.622 1.00 0.00 H new ATOM 0 HA ILE A 99 -17.264 -11.242 3.641 1.00 0.00 H new ATOM 0 HB ILE A 99 -17.962 -12.983 1.903 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -20.428 -12.708 3.108 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -19.511 -11.413 3.852 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -19.372 -14.797 2.777 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -17.669 -14.980 3.260 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -18.868 -14.385 4.433 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -20.591 -10.635 1.765 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -18.820 -10.592 1.602 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -19.752 -11.907 0.846 1.00 0.00 H new ATOM 1567 N THR A 100 -17.656 -11.562 6.010 1.00 0.00 N ATOM 1568 CA THR A 100 -17.808 -11.683 7.451 1.00 0.00 C ATOM 1569 C THR A 100 -19.230 -11.302 7.869 1.00 0.00 C ATOM 1570 O THR A 100 -19.947 -10.643 7.118 1.00 0.00 O ATOM 1571 CB THR A 100 -16.729 -10.826 8.113 1.00 0.00 C ATOM 1572 OG1 THR A 100 -16.909 -11.058 9.507 1.00 0.00 O ATOM 1573 CG2 THR A 100 -16.988 -9.327 7.949 1.00 0.00 C ATOM 0 H THR A 100 -17.856 -10.634 5.636 1.00 0.00 H new ATOM 0 HA THR A 100 -17.671 -12.713 7.780 1.00 0.00 H new ATOM 0 HB THR A 100 -15.757 -11.075 7.688 1.00 0.00 H new ATOM 0 HG1 THR A 100 -16.248 -10.541 10.013 1.00 0.00 H new ATOM 0 HG21 THR A 100 -16.192 -8.765 8.437 1.00 0.00 H new ATOM 0 HG22 THR A 100 -17.012 -9.076 6.889 1.00 0.00 H new ATOM 0 HG23 THR A 100 -17.945 -9.071 8.404 1.00 0.00 H new ATOM 1581 N THR A 101 -19.595 -11.734 9.067 1.00 0.00 N ATOM 1582 CA THR A 101 -20.919 -11.446 9.595 1.00 0.00 C ATOM 1583 C THR A 101 -20.856 -11.250 11.111 1.00 0.00 C ATOM 1584 O THR A 101 -20.302 -12.082 11.826 1.00 0.00 O ATOM 1585 CB THR A 101 -21.854 -12.578 9.167 1.00 0.00 C ATOM 1586 OG1 THR A 101 -21.844 -12.517 7.743 1.00 0.00 O ATOM 1587 CG2 THR A 101 -23.313 -12.305 9.541 1.00 0.00 C ATOM 0 H THR A 101 -18.998 -12.281 9.687 1.00 0.00 H new ATOM 0 HA THR A 101 -21.311 -10.512 9.194 1.00 0.00 H new ATOM 0 HB THR A 101 -21.529 -13.511 9.628 1.00 0.00 H new ATOM 0 HG1 THR A 101 -22.424 -13.219 7.381 1.00 0.00 H new ATOM 0 HG21 THR A 101 -23.934 -13.139 9.215 1.00 0.00 H new ATOM 0 HG22 THR A 101 -23.396 -12.191 10.622 1.00 0.00 H new ATOM 0 HG23 THR A 101 -23.649 -11.390 9.053 1.00 0.00 H new ATOM 1595 N ILE A 102 -21.432 -10.142 11.555 1.00 0.00 N ATOM 1596 CA ILE A 102 -21.450 -9.825 12.973 1.00 0.00 C ATOM 1597 C ILE A 102 -22.774 -9.143 13.323 1.00 0.00 C ATOM 1598 O ILE A 102 -23.555 -8.804 12.435 1.00 0.00 O ATOM 1599 CB ILE A 102 -20.215 -9.006 13.354 1.00 0.00 C ATOM 1600 CG1 ILE A 102 -19.767 -9.320 14.782 1.00 0.00 C ATOM 1601 CG2 ILE A 102 -20.465 -7.510 13.148 1.00 0.00 C ATOM 1602 CD1 ILE A 102 -18.369 -9.942 14.794 1.00 0.00 C ATOM 0 H ILE A 102 -21.889 -9.453 10.958 1.00 0.00 H new ATOM 0 HA ILE A 102 -21.395 -10.737 13.568 1.00 0.00 H new ATOM 0 HB ILE A 102 -19.398 -9.291 12.691 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -19.767 -8.406 15.376 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -20.477 -10.003 15.248 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -19.572 -6.950 13.426 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -20.700 -7.321 12.101 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -21.301 -7.192 13.771 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -18.075 -10.156 15.822 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -18.378 -10.868 14.219 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -17.657 -9.246 14.350 1.00 0.00 H new ATOM 1614 N ASP A 103 -22.984 -8.959 14.618 1.00 0.00 N ATOM 1615 CA ASP A 103 -24.199 -8.323 15.096 1.00 0.00 C ATOM 1616 C ASP A 103 -25.395 -9.231 14.801 1.00 0.00 C ATOM 1617 O ASP A 103 -25.500 -9.791 13.711 1.00 0.00 O ATOM 1618 CB ASP A 103 -24.436 -6.987 14.390 1.00 0.00 C ATOM 1619 CG ASP A 103 -25.045 -5.891 15.266 1.00 0.00 C ATOM 1620 OD1 ASP A 103 -24.429 -5.594 16.313 1.00 0.00 O ATOM 1621 OD2 ASP A 103 -26.112 -5.374 14.870 1.00 0.00 O ATOM 0 H ASP A 103 -22.333 -9.239 15.351 1.00 0.00 H new ATOM 0 HA ASP A 103 -24.090 -8.151 16.167 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -23.486 -6.629 13.995 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -25.093 -7.156 13.537 1.00 0.00 H new