USER MOD reduce.3.24.130724 H: found=0, std=0, add=1008, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 1009 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 Single : A 8 MET CE :methyl 146:sc= -2.44 (180deg=-5.58!) USER MOD Single : A 13 ASN : amide:sc= -2.08 K(o=-2.1,f=-1.4) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.333 K(o=-0.33,f=-3!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.0203 X(o=-0.02,f=-0.031) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 36 SER OG : rot 40:sc= 1.23 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -1.59 K(o=-1.6,f=-3!) USER MOD Single : A 45 TYR OH : rot 29:sc= 1.11 USER MOD Single : A 48 CYS SG : rot 149:sc= -3.05! USER MOD Single : A 52 SER OG : rot -168:sc= 0.274 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.256 K(o=-0.26,f=-1.8) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -0.117 K(o=-0.12,f=-1.6!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot -101:sc= 0.746 USER MOD Single : A 88 ASN : amide:sc= -0.773 K(o=-0.77,f=-4.8!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot -133:sc= 1.16 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 130:sc= -2.18! USER MOD Single : A 106 GLN : amide:sc= -0.0205 X(o=-0.021,f=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc=-0.00916 X(o=-0.0092,f=0) USER MOD Single : A 111 ASN : amide:sc= -1.2! C(o=-1.2!,f=-17!) USER MOD Single : A 112 ASN : amide:sc= -0.502 K(o=-0.5,f=-1.6) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 MET CE :methyl -133:sc= -3.3! (180deg=-5.73!) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -13.905 4.304 8.026 1.00 0.00 N ATOM 60 CA GLY A 7 -13.949 3.175 7.113 1.00 0.00 C ATOM 61 C GLY A 7 -13.015 3.395 5.922 1.00 0.00 C ATOM 62 O GLY A 7 -11.898 2.882 5.900 1.00 0.00 O ATOM 0 HA2 GLY A 7 -13.663 2.265 7.641 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.969 3.030 6.758 1.00 0.00 H new ATOM 66 N MET A 8 -13.508 4.161 4.958 1.00 0.00 N ATOM 67 CA MET A 8 -12.732 4.456 3.767 1.00 0.00 C ATOM 68 C MET A 8 -12.468 5.958 3.643 1.00 0.00 C ATOM 69 O MET A 8 -11.397 6.369 3.196 1.00 0.00 O ATOM 70 CB MET A 8 -13.489 3.967 2.529 1.00 0.00 C ATOM 71 CG MET A 8 -12.790 4.418 1.245 1.00 0.00 C ATOM 72 SD MET A 8 -12.014 3.021 0.451 1.00 0.00 S ATOM 73 CE MET A 8 -10.341 3.220 1.039 1.00 0.00 C ATOM 0 H MET A 8 -14.435 4.585 4.979 1.00 0.00 H new ATOM 0 HA MET A 8 -11.774 3.942 3.844 1.00 0.00 H new ATOM 0 HB2 MET A 8 -13.558 2.879 2.547 1.00 0.00 H new ATOM 0 HB3 MET A 8 -14.509 4.352 2.546 1.00 0.00 H new ATOM 0 HG2 MET A 8 -13.512 4.876 0.569 1.00 0.00 H new ATOM 0 HG3 MET A 8 -12.043 5.177 1.475 1.00 0.00 H new ATOM 0 HE1 MET A 8 -9.886 2.240 1.181 1.00 0.00 H new ATOM 0 HE2 MET A 8 -9.763 3.786 0.308 1.00 0.00 H new ATOM 0 HE3 MET A 8 -10.350 3.757 1.988 1.00 0.00 H new ATOM 83 N GLU A 9 -13.461 6.736 4.046 1.00 0.00 N ATOM 84 CA GLU A 9 -13.349 8.183 3.985 1.00 0.00 C ATOM 85 C GLU A 9 -12.385 8.687 5.062 1.00 0.00 C ATOM 86 O GLU A 9 -11.926 9.826 5.006 1.00 0.00 O ATOM 87 CB GLU A 9 -14.721 8.846 4.126 1.00 0.00 C ATOM 88 CG GLU A 9 -14.977 9.825 2.979 1.00 0.00 C ATOM 89 CD GLU A 9 -16.429 10.309 2.984 1.00 0.00 C ATOM 90 OE1 GLU A 9 -17.266 9.596 2.389 1.00 0.00 O ATOM 91 OE2 GLU A 9 -16.669 11.378 3.583 1.00 0.00 O ATOM 0 H GLU A 9 -14.347 6.392 4.416 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.948 8.455 3.009 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -15.499 8.082 4.137 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -14.778 9.373 5.078 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -14.305 10.679 3.068 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.754 9.342 2.028 1.00 0.00 H new ATOM 98 N ALA A 10 -12.106 7.812 6.017 1.00 0.00 N ATOM 99 CA ALA A 10 -11.204 8.153 7.104 1.00 0.00 C ATOM 100 C ALA A 10 -9.779 7.742 6.728 1.00 0.00 C ATOM 101 O ALA A 10 -8.858 8.555 6.789 1.00 0.00 O ATOM 102 CB ALA A 10 -11.683 7.483 8.394 1.00 0.00 C ATOM 0 H ALA A 10 -12.489 6.868 6.061 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.201 9.229 7.277 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.007 7.739 9.210 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -12.688 7.831 8.633 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -11.696 6.401 8.259 1.00 0.00 H new ATOM 108 N VAL A 11 -9.642 6.480 6.347 1.00 0.00 N ATOM 109 CA VAL A 11 -8.346 5.951 5.960 1.00 0.00 C ATOM 110 C VAL A 11 -7.758 6.817 4.843 1.00 0.00 C ATOM 111 O VAL A 11 -6.638 7.310 4.958 1.00 0.00 O ATOM 112 CB VAL A 11 -8.476 4.478 5.568 1.00 0.00 C ATOM 113 CG1 VAL A 11 -9.455 4.305 4.405 1.00 0.00 C ATOM 114 CG2 VAL A 11 -7.111 3.877 5.231 1.00 0.00 C ATOM 0 H VAL A 11 -10.408 5.809 6.298 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.653 5.989 6.800 1.00 0.00 H new ATOM 0 HB VAL A 11 -8.876 3.937 6.426 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.529 3.249 4.146 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.437 4.677 4.698 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.097 4.866 3.542 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -7.233 2.829 4.956 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.669 4.422 4.397 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.457 3.950 6.100 1.00 0.00 H new ATOM 124 N LEU A 12 -8.542 6.976 3.787 1.00 0.00 N ATOM 125 CA LEU A 12 -8.115 7.773 2.651 1.00 0.00 C ATOM 126 C LEU A 12 -7.927 9.225 3.094 1.00 0.00 C ATOM 127 O LEU A 12 -7.351 10.031 2.365 1.00 0.00 O ATOM 128 CB LEU A 12 -9.090 7.608 1.483 1.00 0.00 C ATOM 129 CG LEU A 12 -8.881 6.373 0.604 1.00 0.00 C ATOM 130 CD1 LEU A 12 -9.806 6.404 -0.614 1.00 0.00 C ATOM 131 CD2 LEU A 12 -7.411 6.227 0.204 1.00 0.00 C ATOM 0 H LEU A 12 -9.471 6.566 3.695 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.150 7.424 2.282 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.103 7.577 1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.023 8.494 0.852 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.145 5.490 1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.637 5.515 -1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.844 6.425 -0.282 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.597 7.294 -1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.290 5.342 -0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.096 7.109 -0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.798 6.126 1.100 1.00 0.00 H new ATOM 143 N ASN A 13 -8.424 9.516 4.288 1.00 0.00 N ATOM 144 CA ASN A 13 -8.318 10.857 4.836 1.00 0.00 C ATOM 145 C ASN A 13 -7.021 10.973 5.640 1.00 0.00 C ATOM 146 O ASN A 13 -6.050 11.567 5.177 1.00 0.00 O ATOM 147 CB ASN A 13 -9.487 11.161 5.776 1.00 0.00 C ATOM 148 CG ASN A 13 -10.451 12.166 5.144 1.00 0.00 C ATOM 149 OD1 ASN A 13 -10.863 13.139 5.755 1.00 0.00 O ATOM 150 ND2 ASN A 13 -10.787 11.879 3.890 1.00 0.00 N ATOM 0 H ASN A 13 -8.901 8.845 4.891 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.330 11.563 4.006 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -10.019 10.239 6.010 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -9.108 11.558 6.717 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -11.426 12.490 3.381 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -10.406 11.048 3.437 1.00 0.00 H new ATOM 157 N GLU A 14 -7.049 10.395 6.833 1.00 0.00 N ATOM 158 CA GLU A 14 -5.888 10.426 7.706 1.00 0.00 C ATOM 159 C GLU A 14 -4.633 10.017 6.934 1.00 0.00 C ATOM 160 O GLU A 14 -4.659 9.064 6.157 1.00 0.00 O ATOM 161 CB GLU A 14 -6.098 9.529 8.928 1.00 0.00 C ATOM 162 CG GLU A 14 -5.758 10.276 10.220 1.00 0.00 C ATOM 163 CD GLU A 14 -5.148 9.329 11.256 1.00 0.00 C ATOM 164 OE1 GLU A 14 -3.910 9.162 11.211 1.00 0.00 O ATOM 165 OE2 GLU A 14 -5.932 8.794 12.069 1.00 0.00 O ATOM 0 H GLU A 14 -7.857 9.903 7.215 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.753 11.447 8.064 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.133 9.190 8.961 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.474 8.640 8.843 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.059 11.084 10.004 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.659 10.735 10.627 1.00 0.00 H new ATOM 172 N LEU A 15 -3.561 10.758 7.175 1.00 0.00 N ATOM 173 CA LEU A 15 -2.297 10.485 6.512 1.00 0.00 C ATOM 174 C LEU A 15 -1.255 10.077 7.557 1.00 0.00 C ATOM 175 O LEU A 15 -1.409 10.373 8.740 1.00 0.00 O ATOM 176 CB LEU A 15 -1.872 11.679 5.655 1.00 0.00 C ATOM 177 CG LEU A 15 -1.845 13.036 6.361 1.00 0.00 C ATOM 178 CD1 LEU A 15 -0.586 13.183 7.216 1.00 0.00 C ATOM 179 CD2 LEU A 15 -1.992 14.180 5.355 1.00 0.00 C ATOM 0 H LEU A 15 -3.542 11.548 7.821 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.403 9.648 5.822 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.877 11.479 5.257 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.548 11.748 4.803 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.700 13.088 7.035 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.591 14.156 7.707 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.564 12.396 7.970 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.296 13.102 6.581 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.970 15.134 5.883 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.171 14.142 4.639 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.940 14.080 4.826 1.00 0.00 H new ATOM 191 N VAL A 16 -0.219 9.404 7.081 1.00 0.00 N ATOM 192 CA VAL A 16 0.847 8.952 7.958 1.00 0.00 C ATOM 193 C VAL A 16 1.750 10.137 8.309 1.00 0.00 C ATOM 194 O VAL A 16 1.917 11.053 7.506 1.00 0.00 O ATOM 195 CB VAL A 16 1.606 7.795 7.307 1.00 0.00 C ATOM 196 CG1 VAL A 16 2.985 8.248 6.821 1.00 0.00 C ATOM 197 CG2 VAL A 16 1.726 6.609 8.266 1.00 0.00 C ATOM 0 H VAL A 16 -0.095 9.160 6.098 1.00 0.00 H new ATOM 0 HA VAL A 16 0.436 8.568 8.892 1.00 0.00 H new ATOM 0 HB VAL A 16 1.035 7.467 6.438 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.504 7.406 6.362 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.868 9.046 6.087 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.566 8.615 7.667 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.270 5.800 7.778 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.263 6.919 9.162 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.730 6.262 8.542 1.00 0.00 H new ATOM 207 N SER A 17 2.306 10.080 9.509 1.00 0.00 N ATOM 208 CA SER A 17 3.188 11.137 9.977 1.00 0.00 C ATOM 209 C SER A 17 4.619 10.610 10.096 1.00 0.00 C ATOM 210 O SER A 17 4.831 9.410 10.264 1.00 0.00 O ATOM 211 CB SER A 17 2.714 11.697 11.318 1.00 0.00 C ATOM 212 OG SER A 17 1.292 11.762 11.398 1.00 0.00 O ATOM 0 H SER A 17 2.164 9.319 10.173 1.00 0.00 H new ATOM 0 HA SER A 17 3.166 11.948 9.249 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.094 11.072 12.126 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.131 12.694 11.462 1.00 0.00 H new ATOM 0 HG SER A 17 1.030 12.123 12.270 1.00 0.00 H new ATOM 218 N VAL A 18 5.565 11.533 10.007 1.00 0.00 N ATOM 219 CA VAL A 18 6.970 11.177 10.104 1.00 0.00 C ATOM 220 C VAL A 18 7.189 10.314 11.349 1.00 0.00 C ATOM 221 O VAL A 18 7.932 9.335 11.307 1.00 0.00 O ATOM 222 CB VAL A 18 7.832 12.441 10.095 1.00 0.00 C ATOM 223 CG1 VAL A 18 9.318 12.092 10.206 1.00 0.00 C ATOM 224 CG2 VAL A 18 7.559 13.283 8.847 1.00 0.00 C ATOM 0 H VAL A 18 5.386 12.528 9.869 1.00 0.00 H new ATOM 0 HA VAL A 18 7.274 10.585 9.240 1.00 0.00 H new ATOM 0 HB VAL A 18 7.561 13.037 10.967 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.909 13.008 10.197 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.497 11.554 11.137 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.608 11.465 9.363 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.185 14.175 8.866 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.788 12.698 7.956 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.509 13.576 8.828 1.00 0.00 H new ATOM 234 N GLU A 19 6.527 10.708 12.427 1.00 0.00 N ATOM 235 CA GLU A 19 6.639 9.982 13.681 1.00 0.00 C ATOM 236 C GLU A 19 6.516 8.478 13.436 1.00 0.00 C ATOM 237 O GLU A 19 7.461 7.727 13.675 1.00 0.00 O ATOM 238 CB GLU A 19 5.591 10.462 14.688 1.00 0.00 C ATOM 239 CG GLU A 19 6.212 10.666 16.070 1.00 0.00 C ATOM 240 CD GLU A 19 5.736 9.590 17.049 1.00 0.00 C ATOM 241 OE1 GLU A 19 4.502 9.448 17.180 1.00 0.00 O ATOM 242 OE2 GLU A 19 6.619 8.934 17.644 1.00 0.00 O ATOM 0 H GLU A 19 5.911 11.521 12.458 1.00 0.00 H new ATOM 0 HA GLU A 19 7.622 10.181 14.107 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.150 11.397 14.342 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.783 9.733 14.752 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.299 10.637 15.992 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.946 11.652 16.450 1.00 0.00 H new ATOM 249 N ASP A 20 5.344 8.081 12.962 1.00 0.00 N ATOM 250 CA ASP A 20 5.085 6.679 12.682 1.00 0.00 C ATOM 251 C ASP A 20 5.985 6.218 11.535 1.00 0.00 C ATOM 252 O ASP A 20 6.688 5.215 11.656 1.00 0.00 O ATOM 253 CB ASP A 20 3.631 6.461 12.259 1.00 0.00 C ATOM 254 CG ASP A 20 2.607 6.564 13.391 1.00 0.00 C ATOM 255 OD1 ASP A 20 2.937 7.226 14.398 1.00 0.00 O ATOM 256 OD2 ASP A 20 1.515 5.977 13.224 1.00 0.00 O ATOM 0 H ASP A 20 4.563 8.706 12.765 1.00 0.00 H new ATOM 0 HA ASP A 20 5.285 6.111 13.591 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.378 7.193 11.492 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.545 5.476 11.800 1.00 0.00 H new ATOM 261 N LEU A 21 5.935 6.972 10.446 1.00 0.00 N ATOM 262 CA LEU A 21 6.738 6.653 9.277 1.00 0.00 C ATOM 263 C LEU A 21 8.127 6.198 9.726 1.00 0.00 C ATOM 264 O LEU A 21 8.631 5.176 9.262 1.00 0.00 O ATOM 265 CB LEU A 21 6.761 7.835 8.306 1.00 0.00 C ATOM 266 CG LEU A 21 7.182 7.514 6.870 1.00 0.00 C ATOM 267 CD1 LEU A 21 8.509 6.754 6.843 1.00 0.00 C ATOM 268 CD2 LEU A 21 6.075 6.759 6.131 1.00 0.00 C ATOM 0 H LEU A 21 5.351 7.803 10.349 1.00 0.00 H new ATOM 0 HA LEU A 21 6.295 5.824 8.724 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.766 8.279 8.281 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.438 8.592 8.702 1.00 0.00 H new ATOM 0 HG LEU A 21 7.340 8.455 6.343 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.784 6.539 5.810 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.286 7.362 7.306 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.404 5.819 7.393 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.399 6.543 5.113 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.863 5.824 6.650 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.174 7.371 6.103 1.00 0.00 H new ATOM 280 N LYS A 22 8.709 6.978 10.626 1.00 0.00 N ATOM 281 CA LYS A 22 10.030 6.668 11.143 1.00 0.00 C ATOM 282 C LYS A 22 9.963 5.377 11.960 1.00 0.00 C ATOM 283 O LYS A 22 10.728 4.445 11.719 1.00 0.00 O ATOM 284 CB LYS A 22 10.595 7.860 11.919 1.00 0.00 C ATOM 285 CG LYS A 22 11.125 8.934 10.968 1.00 0.00 C ATOM 286 CD LYS A 22 12.606 9.215 11.226 1.00 0.00 C ATOM 287 CE LYS A 22 12.953 10.669 10.903 1.00 0.00 C ATOM 288 NZ LYS A 22 13.441 11.367 12.113 1.00 0.00 N ATOM 0 H LYS A 22 8.289 7.824 11.010 1.00 0.00 H new ATOM 0 HA LYS A 22 10.728 6.491 10.325 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.819 8.284 12.556 1.00 0.00 H new ATOM 0 HB3 LYS A 22 11.397 7.523 12.576 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.987 8.611 9.936 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.550 9.852 11.094 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.843 9.004 12.269 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.218 8.548 10.618 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.715 10.703 10.124 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.074 11.180 10.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.672 12.353 11.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.702 11.351 12.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.292 10.888 12.470 1.00 0.00 H new ATOM 302 N ASN A 23 9.041 5.364 12.911 1.00 0.00 N ATOM 303 CA ASN A 23 8.864 4.203 13.767 1.00 0.00 C ATOM 304 C ASN A 23 8.931 2.933 12.915 1.00 0.00 C ATOM 305 O ASN A 23 9.459 1.914 13.355 1.00 0.00 O ATOM 306 CB ASN A 23 7.502 4.234 14.463 1.00 0.00 C ATOM 307 CG ASN A 23 7.661 4.137 15.982 1.00 0.00 C ATOM 308 OD1 ASN A 23 8.751 4.214 16.524 1.00 0.00 O ATOM 309 ND2 ASN A 23 6.515 3.969 16.636 1.00 0.00 N ATOM 0 H ASN A 23 8.408 6.139 13.108 1.00 0.00 H new ATOM 0 HA ASN A 23 9.653 4.214 14.519 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.979 5.155 14.206 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.887 3.408 14.104 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.514 3.897 17.653 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.637 3.913 16.120 1.00 0.00 H new ATOM 316 N PHE A 24 8.386 3.037 11.712 1.00 0.00 N ATOM 317 CA PHE A 24 8.377 1.909 10.794 1.00 0.00 C ATOM 318 C PHE A 24 9.643 1.892 9.935 1.00 0.00 C ATOM 319 O PHE A 24 10.380 0.908 9.930 1.00 0.00 O ATOM 320 CB PHE A 24 7.160 2.083 9.884 1.00 0.00 C ATOM 321 CG PHE A 24 5.854 1.558 10.486 1.00 0.00 C ATOM 322 CD1 PHE A 24 5.533 0.242 10.370 1.00 0.00 C ATOM 323 CD2 PHE A 24 5.015 2.408 11.136 1.00 0.00 C ATOM 324 CE1 PHE A 24 4.322 -0.245 10.927 1.00 0.00 C ATOM 325 CE2 PHE A 24 3.804 1.921 11.695 1.00 0.00 C ATOM 326 CZ PHE A 24 3.482 0.604 11.578 1.00 0.00 C ATOM 0 H PHE A 24 7.947 3.884 11.351 1.00 0.00 H new ATOM 0 HA PHE A 24 8.337 0.974 11.353 1.00 0.00 H new ATOM 0 HB2 PHE A 24 7.041 3.141 9.651 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.347 1.568 8.942 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.200 -0.433 9.854 1.00 0.00 H new ATOM 0 HD2 PHE A 24 5.270 3.454 11.227 1.00 0.00 H new ATOM 0 HE1 PHE A 24 4.067 -1.290 10.834 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.139 2.596 12.213 1.00 0.00 H new ATOM 0 HZ PHE A 24 2.560 0.233 12.002 1.00 0.00 H new ATOM 336 N GLU A 25 9.855 2.993 9.228 1.00 0.00 N ATOM 337 CA GLU A 25 11.019 3.116 8.366 1.00 0.00 C ATOM 338 C GLU A 25 12.279 2.669 9.109 1.00 0.00 C ATOM 339 O GLU A 25 13.216 2.158 8.498 1.00 0.00 O ATOM 340 CB GLU A 25 11.168 4.548 7.848 1.00 0.00 C ATOM 341 CG GLU A 25 11.965 4.578 6.542 1.00 0.00 C ATOM 342 CD GLU A 25 12.033 5.997 5.974 1.00 0.00 C ATOM 343 OE1 GLU A 25 12.453 6.894 6.736 1.00 0.00 O ATOM 344 OE2 GLU A 25 11.664 6.152 4.790 1.00 0.00 O ATOM 0 H GLU A 25 9.241 3.807 9.234 1.00 0.00 H new ATOM 0 HA GLU A 25 10.879 2.465 7.503 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.182 4.985 7.687 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.669 5.160 8.598 1.00 0.00 H new ATOM 0 HG2 GLU A 25 12.974 4.204 6.719 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.502 3.913 5.814 1.00 0.00 H new ATOM 351 N ARG A 26 12.262 2.878 10.418 1.00 0.00 N ATOM 352 CA ARG A 26 13.392 2.501 11.251 1.00 0.00 C ATOM 353 C ARG A 26 13.522 0.979 11.312 1.00 0.00 C ATOM 354 O ARG A 26 14.625 0.443 11.211 1.00 0.00 O ATOM 355 CB ARG A 26 13.236 3.051 12.670 1.00 0.00 C ATOM 356 CG ARG A 26 13.768 2.057 13.704 1.00 0.00 C ATOM 357 CD ARG A 26 13.998 2.740 15.053 1.00 0.00 C ATOM 358 NE ARG A 26 13.969 1.736 16.141 1.00 0.00 N ATOM 359 CZ ARG A 26 14.356 1.981 17.400 1.00 0.00 C ATOM 360 NH1 ARG A 26 14.807 3.196 17.738 1.00 0.00 N ATOM 361 NH2 ARG A 26 14.295 1.009 18.321 1.00 0.00 N ATOM 0 H ARG A 26 11.484 3.303 10.922 1.00 0.00 H new ATOM 0 HA ARG A 26 14.291 2.927 10.805 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.772 3.996 12.759 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.185 3.261 12.869 1.00 0.00 H new ATOM 0 HG2 ARG A 26 13.060 1.237 13.824 1.00 0.00 H new ATOM 0 HG3 ARG A 26 14.702 1.622 13.349 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.958 3.257 15.049 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.230 3.495 15.223 1.00 0.00 H new ATOM 0 HE ARG A 26 13.633 0.799 15.918 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.856 3.935 17.037 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.102 3.382 18.697 1.00 0.00 H new ATOM 0 HH21 ARG A 26 13.954 0.083 18.063 1.00 0.00 H new ATOM 0 HH22 ARG A 26 14.590 1.195 19.280 1.00 0.00 H new ATOM 375 N LYS A 27 12.382 0.325 11.477 1.00 0.00 N ATOM 376 CA LYS A 27 12.355 -1.126 11.554 1.00 0.00 C ATOM 377 C LYS A 27 12.837 -1.711 10.224 1.00 0.00 C ATOM 378 O LYS A 27 13.661 -2.624 10.206 1.00 0.00 O ATOM 379 CB LYS A 27 10.969 -1.615 11.974 1.00 0.00 C ATOM 380 CG LYS A 27 11.074 -2.752 12.992 1.00 0.00 C ATOM 381 CD LYS A 27 9.850 -2.782 13.910 1.00 0.00 C ATOM 382 CE LYS A 27 9.689 -4.154 14.567 1.00 0.00 C ATOM 383 NZ LYS A 27 8.276 -4.590 14.519 1.00 0.00 N ATOM 0 H LYS A 27 11.470 0.773 11.560 1.00 0.00 H new ATOM 0 HA LYS A 27 13.039 -1.479 12.326 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.403 -0.789 12.404 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.419 -1.957 11.097 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.165 -3.705 12.470 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.978 -2.628 13.589 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.949 -2.016 14.679 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.955 -2.543 13.336 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.318 -4.884 14.057 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.027 -4.110 15.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.185 -5.523 14.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.683 -3.902 15.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.965 -4.652 13.528 1.00 0.00 H new ATOM 397 N PHE A 28 12.302 -1.161 9.143 1.00 0.00 N ATOM 398 CA PHE A 28 12.668 -1.617 7.814 1.00 0.00 C ATOM 399 C PHE A 28 14.176 -1.499 7.588 1.00 0.00 C ATOM 400 O PHE A 28 14.789 -2.384 6.994 1.00 0.00 O ATOM 401 CB PHE A 28 11.942 -0.712 6.815 1.00 0.00 C ATOM 402 CG PHE A 28 12.034 -1.186 5.364 1.00 0.00 C ATOM 403 CD1 PHE A 28 11.290 -2.245 4.947 1.00 0.00 C ATOM 404 CD2 PHE A 28 12.859 -0.549 4.491 1.00 0.00 C ATOM 405 CE1 PHE A 28 11.375 -2.686 3.599 1.00 0.00 C ATOM 406 CE2 PHE A 28 12.944 -0.989 3.143 1.00 0.00 C ATOM 407 CZ PHE A 28 12.200 -2.049 2.726 1.00 0.00 C ATOM 0 H PHE A 28 11.618 -0.404 9.161 1.00 0.00 H new ATOM 0 HA PHE A 28 12.391 -2.664 7.691 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.892 -0.645 7.098 1.00 0.00 H new ATOM 0 HB3 PHE A 28 12.356 0.294 6.885 1.00 0.00 H new ATOM 0 HD1 PHE A 28 10.634 -2.751 5.640 1.00 0.00 H new ATOM 0 HD2 PHE A 28 13.450 0.292 4.823 1.00 0.00 H new ATOM 0 HE1 PHE A 28 10.784 -3.527 3.268 1.00 0.00 H new ATOM 0 HE2 PHE A 28 13.599 -0.482 2.450 1.00 0.00 H new ATOM 0 HZ PHE A 28 12.265 -2.384 1.701 1.00 0.00 H new ATOM 417 N GLN A 29 14.730 -0.398 8.075 1.00 0.00 N ATOM 418 CA GLN A 29 16.156 -0.154 7.933 1.00 0.00 C ATOM 419 C GLN A 29 16.950 -1.122 8.812 1.00 0.00 C ATOM 420 O GLN A 29 17.724 -1.932 8.306 1.00 0.00 O ATOM 421 CB GLN A 29 16.498 1.299 8.269 1.00 0.00 C ATOM 422 CG GLN A 29 16.066 2.240 7.142 1.00 0.00 C ATOM 423 CD GLN A 29 16.937 3.497 7.113 1.00 0.00 C ATOM 424 OE1 GLN A 29 18.145 3.443 6.949 1.00 0.00 O ATOM 425 NE2 GLN A 29 16.259 4.629 7.281 1.00 0.00 N ATOM 0 H GLN A 29 14.218 0.334 8.568 1.00 0.00 H new ATOM 0 HA GLN A 29 16.434 -0.328 6.893 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.004 1.587 9.197 1.00 0.00 H new ATOM 0 HB3 GLN A 29 17.571 1.394 8.436 1.00 0.00 H new ATOM 0 HG2 GLN A 29 16.136 1.723 6.185 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.021 2.520 7.278 1.00 0.00 H new ATOM 0 HE21 GLN A 29 15.248 4.603 7.413 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.750 5.523 7.277 1.00 0.00 H new ATOM 434 N SER A 30 16.731 -1.004 10.113 1.00 0.00 N ATOM 435 CA SER A 30 17.418 -1.859 11.068 1.00 0.00 C ATOM 436 C SER A 30 17.314 -3.321 10.629 1.00 0.00 C ATOM 437 O SER A 30 18.327 -4.006 10.496 1.00 0.00 O ATOM 438 CB SER A 30 16.843 -1.686 12.475 1.00 0.00 C ATOM 439 OG SER A 30 17.823 -1.916 13.484 1.00 0.00 O ATOM 0 H SER A 30 16.088 -0.330 10.529 1.00 0.00 H new ATOM 0 HA SER A 30 18.468 -1.567 11.095 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.443 -0.678 12.582 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.011 -2.376 12.614 1.00 0.00 H new ATOM 0 HG SER A 30 17.417 -1.794 14.368 1.00 0.00 H new ATOM 445 N GLU A 31 16.081 -3.757 10.416 1.00 0.00 N ATOM 446 CA GLU A 31 15.832 -5.125 9.996 1.00 0.00 C ATOM 447 C GLU A 31 16.703 -5.475 8.788 1.00 0.00 C ATOM 448 O GLU A 31 17.167 -6.608 8.660 1.00 0.00 O ATOM 449 CB GLU A 31 14.350 -5.342 9.685 1.00 0.00 C ATOM 450 CG GLU A 31 13.518 -5.360 10.969 1.00 0.00 C ATOM 451 CD GLU A 31 13.428 -6.775 11.544 1.00 0.00 C ATOM 452 OE1 GLU A 31 14.499 -7.411 11.657 1.00 0.00 O ATOM 453 OE2 GLU A 31 12.292 -7.190 11.859 1.00 0.00 O ATOM 0 H GLU A 31 15.243 -3.186 10.527 1.00 0.00 H new ATOM 0 HA GLU A 31 16.098 -5.791 10.817 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.993 -4.550 9.027 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.221 -6.283 9.150 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.965 -4.692 11.705 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.516 -4.983 10.763 1.00 0.00 H new ATOM 460 N GLN A 32 16.899 -4.482 7.933 1.00 0.00 N ATOM 461 CA GLN A 32 17.706 -4.672 6.739 1.00 0.00 C ATOM 462 C GLN A 32 19.147 -5.017 7.121 1.00 0.00 C ATOM 463 O GLN A 32 19.658 -6.069 6.742 1.00 0.00 O ATOM 464 CB GLN A 32 17.657 -3.433 5.843 1.00 0.00 C ATOM 465 CG GLN A 32 17.771 -3.819 4.366 1.00 0.00 C ATOM 466 CD GLN A 32 17.579 -2.599 3.463 1.00 0.00 C ATOM 467 OE1 GLN A 32 17.433 -1.476 3.917 1.00 0.00 O ATOM 468 NE2 GLN A 32 17.588 -2.880 2.163 1.00 0.00 N ATOM 0 H GLN A 32 16.513 -3.544 8.043 1.00 0.00 H new ATOM 0 HA GLN A 32 17.292 -5.506 6.173 1.00 0.00 H new ATOM 0 HB2 GLN A 32 16.724 -2.895 6.011 1.00 0.00 H new ATOM 0 HB3 GLN A 32 18.468 -2.755 6.109 1.00 0.00 H new ATOM 0 HG2 GLN A 32 18.748 -4.265 4.178 1.00 0.00 H new ATOM 0 HG3 GLN A 32 17.023 -4.575 4.125 1.00 0.00 H new ATOM 0 HE21 GLN A 32 17.715 -3.843 1.850 1.00 0.00 H new ATOM 0 HE22 GLN A 32 17.468 -2.133 1.479 1.00 0.00 H new ATOM 477 N ALA A 33 19.760 -4.109 7.868 1.00 0.00 N ATOM 478 CA ALA A 33 21.131 -4.304 8.305 1.00 0.00 C ATOM 479 C ALA A 33 21.190 -5.484 9.277 1.00 0.00 C ATOM 480 O ALA A 33 22.272 -5.959 9.619 1.00 0.00 O ATOM 481 CB ALA A 33 21.657 -3.009 8.927 1.00 0.00 C ATOM 0 H ALA A 33 19.332 -3.238 8.181 1.00 0.00 H new ATOM 0 HA ALA A 33 21.773 -4.544 7.458 1.00 0.00 H new ATOM 0 HB1 ALA A 33 22.686 -3.155 9.255 1.00 0.00 H new ATOM 0 HB2 ALA A 33 21.622 -2.209 8.187 1.00 0.00 H new ATOM 0 HB3 ALA A 33 21.038 -2.739 9.783 1.00 0.00 H new ATOM 487 N ALA A 34 20.012 -5.923 9.695 1.00 0.00 N ATOM 488 CA ALA A 34 19.915 -7.039 10.621 1.00 0.00 C ATOM 489 C ALA A 34 20.235 -8.339 9.881 1.00 0.00 C ATOM 490 O ALA A 34 20.815 -9.259 10.458 1.00 0.00 O ATOM 491 CB ALA A 34 18.523 -7.057 11.254 1.00 0.00 C ATOM 0 H ALA A 34 19.117 -5.526 9.410 1.00 0.00 H new ATOM 0 HA ALA A 34 20.639 -6.932 11.428 1.00 0.00 H new ATOM 0 HB1 ALA A 34 18.450 -7.894 11.949 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.356 -6.124 11.792 1.00 0.00 H new ATOM 0 HB3 ALA A 34 17.770 -7.166 10.474 1.00 0.00 H new ATOM 497 N GLY A 35 19.845 -8.375 8.616 1.00 0.00 N ATOM 498 CA GLY A 35 20.083 -9.547 7.791 1.00 0.00 C ATOM 499 C GLY A 35 19.088 -9.614 6.631 1.00 0.00 C ATOM 500 O GLY A 35 19.418 -10.106 5.553 1.00 0.00 O ATOM 0 H GLY A 35 19.365 -7.610 8.141 1.00 0.00 H new ATOM 0 HA2 GLY A 35 21.100 -9.520 7.401 1.00 0.00 H new ATOM 0 HA3 GLY A 35 19.998 -10.447 8.399 1.00 0.00 H new ATOM 504 N SER A 36 17.891 -9.110 6.891 1.00 0.00 N ATOM 505 CA SER A 36 16.845 -9.106 5.882 1.00 0.00 C ATOM 506 C SER A 36 15.521 -8.658 6.503 1.00 0.00 C ATOM 507 O SER A 36 15.162 -9.097 7.594 1.00 0.00 O ATOM 508 CB SER A 36 16.691 -10.488 5.243 1.00 0.00 C ATOM 509 OG SER A 36 17.524 -10.643 4.098 1.00 0.00 O ATOM 0 H SER A 36 17.622 -8.701 7.786 1.00 0.00 H new ATOM 0 HA SER A 36 17.128 -8.403 5.099 1.00 0.00 H new ATOM 0 HB2 SER A 36 16.937 -11.256 5.977 1.00 0.00 H new ATOM 0 HB3 SER A 36 15.650 -10.641 4.957 1.00 0.00 H new ATOM 0 HG SER A 36 18.394 -10.226 4.268 1.00 0.00 H new ATOM 515 N VAL A 37 14.830 -7.788 5.781 1.00 0.00 N ATOM 516 CA VAL A 37 13.553 -7.275 6.246 1.00 0.00 C ATOM 517 C VAL A 37 12.475 -8.342 6.044 1.00 0.00 C ATOM 518 O VAL A 37 12.495 -9.068 5.052 1.00 0.00 O ATOM 519 CB VAL A 37 13.229 -5.957 5.539 1.00 0.00 C ATOM 520 CG1 VAL A 37 11.738 -5.630 5.645 1.00 0.00 C ATOM 521 CG2 VAL A 37 14.082 -4.814 6.094 1.00 0.00 C ATOM 0 H VAL A 37 15.131 -7.425 4.876 1.00 0.00 H new ATOM 0 HA VAL A 37 13.596 -7.054 7.313 1.00 0.00 H new ATOM 0 HB VAL A 37 13.472 -6.074 4.483 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.535 -4.689 5.134 1.00 0.00 H new ATOM 0 HG12 VAL A 37 11.157 -6.427 5.181 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.459 -5.541 6.695 1.00 0.00 H new ATOM 0 HG21 VAL A 37 13.833 -3.889 5.575 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.885 -4.697 7.160 1.00 0.00 H new ATOM 0 HG23 VAL A 37 15.137 -5.041 5.943 1.00 0.00 H new ATOM 531 N SER A 38 11.561 -8.403 7.001 1.00 0.00 N ATOM 532 CA SER A 38 10.478 -9.369 6.941 1.00 0.00 C ATOM 533 C SER A 38 9.248 -8.736 6.286 1.00 0.00 C ATOM 534 O SER A 38 9.026 -7.532 6.408 1.00 0.00 O ATOM 535 CB SER A 38 10.127 -9.891 8.336 1.00 0.00 C ATOM 536 OG SER A 38 11.273 -10.382 9.026 1.00 0.00 O ATOM 0 H SER A 38 11.548 -7.799 7.823 1.00 0.00 H new ATOM 0 HA SER A 38 10.808 -10.215 6.339 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.669 -9.091 8.918 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.387 -10.687 8.250 1.00 0.00 H new ATOM 0 HG SER A 38 11.008 -10.704 9.913 1.00 0.00 H new ATOM 542 N LYS A 39 8.481 -9.576 5.606 1.00 0.00 N ATOM 543 CA LYS A 39 7.280 -9.114 4.933 1.00 0.00 C ATOM 544 C LYS A 39 6.494 -8.198 5.873 1.00 0.00 C ATOM 545 O LYS A 39 6.102 -7.096 5.489 1.00 0.00 O ATOM 546 CB LYS A 39 6.468 -10.301 4.409 1.00 0.00 C ATOM 547 CG LYS A 39 6.175 -11.300 5.529 1.00 0.00 C ATOM 548 CD LYS A 39 5.860 -12.685 4.960 1.00 0.00 C ATOM 549 CE LYS A 39 4.358 -12.851 4.724 1.00 0.00 C ATOM 550 NZ LYS A 39 3.940 -14.244 4.999 1.00 0.00 N ATOM 0 H LYS A 39 8.669 -10.574 5.507 1.00 0.00 H new ATOM 0 HA LYS A 39 7.539 -8.523 4.055 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.531 -9.945 3.980 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.017 -10.797 3.609 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.033 -11.364 6.198 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.333 -10.947 6.125 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.397 -12.828 4.022 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.211 -13.454 5.649 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.805 -12.166 5.367 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.115 -12.589 3.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.918 -14.339 4.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.454 -14.892 4.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.154 -14.482 5.989 1.00 0.00 H new ATOM 564 N SER A 40 6.284 -8.686 7.086 1.00 0.00 N ATOM 565 CA SER A 40 5.552 -7.926 8.083 1.00 0.00 C ATOM 566 C SER A 40 5.929 -6.446 7.994 1.00 0.00 C ATOM 567 O SER A 40 5.079 -5.600 7.723 1.00 0.00 O ATOM 568 CB SER A 40 5.823 -8.459 9.492 1.00 0.00 C ATOM 569 OG SER A 40 4.644 -8.973 10.105 1.00 0.00 O ATOM 0 H SER A 40 6.609 -9.600 7.401 1.00 0.00 H new ATOM 0 HA SER A 40 4.486 -8.036 7.881 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.578 -9.244 9.444 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.233 -7.660 10.109 1.00 0.00 H new ATOM 0 HG SER A 40 4.859 -9.305 11.002 1.00 0.00 H new ATOM 575 N THR A 41 7.206 -6.178 8.230 1.00 0.00 N ATOM 576 CA THR A 41 7.706 -4.815 8.179 1.00 0.00 C ATOM 577 C THR A 41 7.533 -4.235 6.775 1.00 0.00 C ATOM 578 O THR A 41 7.256 -3.047 6.619 1.00 0.00 O ATOM 579 CB THR A 41 9.159 -4.827 8.657 1.00 0.00 C ATOM 580 OG1 THR A 41 9.068 -5.157 10.040 1.00 0.00 O ATOM 581 CG2 THR A 41 9.791 -3.433 8.647 1.00 0.00 C ATOM 0 H THR A 41 7.908 -6.882 8.457 1.00 0.00 H new ATOM 0 HA THR A 41 7.137 -4.160 8.839 1.00 0.00 H new ATOM 0 HB THR A 41 9.743 -5.495 8.024 1.00 0.00 H new ATOM 0 HG1 THR A 41 9.967 -5.188 10.429 1.00 0.00 H new ATOM 0 HG21 THR A 41 10.822 -3.498 8.995 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.775 -3.034 7.633 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.227 -2.773 9.306 1.00 0.00 H new ATOM 589 N GLN A 42 7.702 -5.101 5.786 1.00 0.00 N ATOM 590 CA GLN A 42 7.569 -4.690 4.399 1.00 0.00 C ATOM 591 C GLN A 42 6.196 -4.056 4.163 1.00 0.00 C ATOM 592 O GLN A 42 6.097 -2.855 3.915 1.00 0.00 O ATOM 593 CB GLN A 42 7.797 -5.870 3.452 1.00 0.00 C ATOM 594 CG GLN A 42 7.960 -5.390 2.009 1.00 0.00 C ATOM 595 CD GLN A 42 8.785 -6.387 1.190 1.00 0.00 C ATOM 596 OE1 GLN A 42 9.478 -7.241 1.718 1.00 0.00 O ATOM 597 NE2 GLN A 42 8.670 -6.231 -0.126 1.00 0.00 N ATOM 0 H GLN A 42 7.930 -6.086 5.918 1.00 0.00 H new ATOM 0 HA GLN A 42 8.335 -3.944 4.187 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.686 -6.421 3.759 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.956 -6.561 3.517 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.979 -5.262 1.552 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.447 -4.415 1.999 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.072 -5.495 -0.502 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.180 -6.847 -0.759 1.00 0.00 H new ATOM 606 N PHE A 43 5.171 -4.891 4.250 1.00 0.00 N ATOM 607 CA PHE A 43 3.809 -4.428 4.049 1.00 0.00 C ATOM 608 C PHE A 43 3.484 -3.262 4.985 1.00 0.00 C ATOM 609 O PHE A 43 2.684 -2.392 4.642 1.00 0.00 O ATOM 610 CB PHE A 43 2.884 -5.602 4.376 1.00 0.00 C ATOM 611 CG PHE A 43 1.483 -5.185 4.827 1.00 0.00 C ATOM 612 CD1 PHE A 43 0.503 -4.988 3.906 1.00 0.00 C ATOM 613 CD2 PHE A 43 1.220 -5.009 6.150 1.00 0.00 C ATOM 614 CE1 PHE A 43 -0.798 -4.600 4.326 1.00 0.00 C ATOM 615 CE2 PHE A 43 -0.081 -4.621 6.569 1.00 0.00 C ATOM 616 CZ PHE A 43 -1.062 -4.425 5.648 1.00 0.00 C ATOM 0 H PHE A 43 5.257 -5.886 4.457 1.00 0.00 H new ATOM 0 HA PHE A 43 3.681 -4.083 3.023 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.796 -6.238 3.495 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.342 -6.205 5.160 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.713 -5.126 2.856 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.999 -5.164 6.881 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.577 -4.444 3.595 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.291 -4.482 7.619 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.051 -4.130 5.967 1.00 0.00 H new ATOM 626 N GLU A 44 4.119 -3.282 6.147 1.00 0.00 N ATOM 627 CA GLU A 44 3.907 -2.237 7.134 1.00 0.00 C ATOM 628 C GLU A 44 4.388 -0.890 6.592 1.00 0.00 C ATOM 629 O GLU A 44 3.590 -0.095 6.097 1.00 0.00 O ATOM 630 CB GLU A 44 4.604 -2.579 8.453 1.00 0.00 C ATOM 631 CG GLU A 44 3.745 -3.521 9.299 1.00 0.00 C ATOM 632 CD GLU A 44 4.452 -3.880 10.608 1.00 0.00 C ATOM 633 OE1 GLU A 44 5.398 -4.695 10.536 1.00 0.00 O ATOM 634 OE2 GLU A 44 4.031 -3.333 11.649 1.00 0.00 O ATOM 0 H GLU A 44 4.781 -4.006 6.428 1.00 0.00 H new ATOM 0 HA GLU A 44 2.838 -2.165 7.335 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.568 -3.045 8.249 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.804 -1.664 9.011 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.787 -3.049 9.517 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.532 -4.429 8.735 1.00 0.00 H new ATOM 641 N TYR A 45 5.690 -0.673 6.706 1.00 0.00 N ATOM 642 CA TYR A 45 6.287 0.564 6.234 1.00 0.00 C ATOM 643 C TYR A 45 5.651 1.012 4.916 1.00 0.00 C ATOM 644 O TYR A 45 5.319 2.184 4.749 1.00 0.00 O ATOM 645 CB TYR A 45 7.765 0.255 5.994 1.00 0.00 C ATOM 646 CG TYR A 45 8.508 1.337 5.207 1.00 0.00 C ATOM 647 CD1 TYR A 45 8.595 2.619 5.711 1.00 0.00 C ATOM 648 CD2 TYR A 45 9.092 1.031 3.995 1.00 0.00 C ATOM 649 CE1 TYR A 45 9.295 3.637 4.971 1.00 0.00 C ATOM 650 CE2 TYR A 45 9.790 2.049 3.254 1.00 0.00 C ATOM 651 CZ TYR A 45 9.858 3.303 3.779 1.00 0.00 C ATOM 652 OH TYR A 45 10.517 4.264 3.081 1.00 0.00 O ATOM 0 H TYR A 45 6.348 -1.334 7.119 1.00 0.00 H new ATOM 0 HA TYR A 45 6.140 1.363 6.961 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.258 0.118 6.957 1.00 0.00 H new ATOM 0 HB3 TYR A 45 7.845 -0.690 5.457 1.00 0.00 H new ATOM 0 HD1 TYR A 45 8.138 2.859 6.660 1.00 0.00 H new ATOM 0 HD2 TYR A 45 9.025 0.027 3.602 1.00 0.00 H new ATOM 0 HE1 TYR A 45 9.371 4.644 5.354 1.00 0.00 H new ATOM 0 HE2 TYR A 45 10.249 1.823 2.303 1.00 0.00 H new ATOM 0 HH TYR A 45 10.894 4.920 3.704 1.00 0.00 H new ATOM 662 N ALA A 46 5.501 0.053 4.013 1.00 0.00 N ATOM 663 CA ALA A 46 4.910 0.334 2.715 1.00 0.00 C ATOM 664 C ALA A 46 3.482 0.846 2.909 1.00 0.00 C ATOM 665 O ALA A 46 3.078 1.824 2.282 1.00 0.00 O ATOM 666 CB ALA A 46 4.967 -0.924 1.845 1.00 0.00 C ATOM 0 H ALA A 46 5.778 -0.918 4.155 1.00 0.00 H new ATOM 0 HA ALA A 46 5.471 1.113 2.198 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.524 -0.714 0.872 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.005 -1.228 1.713 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.412 -1.727 2.330 1.00 0.00 H new ATOM 672 N TRP A 47 2.756 0.162 3.782 1.00 0.00 N ATOM 673 CA TRP A 47 1.381 0.535 4.066 1.00 0.00 C ATOM 674 C TRP A 47 1.370 1.999 4.511 1.00 0.00 C ATOM 675 O TRP A 47 0.452 2.745 4.177 1.00 0.00 O ATOM 676 CB TRP A 47 0.759 -0.408 5.098 1.00 0.00 C ATOM 677 CG TRP A 47 -0.578 0.078 5.660 1.00 0.00 C ATOM 678 CD1 TRP A 47 -0.962 0.136 6.943 1.00 0.00 C ATOM 679 CD2 TRP A 47 -1.700 0.578 4.901 1.00 0.00 C ATOM 680 NE1 TRP A 47 -2.243 0.634 7.065 1.00 0.00 N ATOM 681 CE2 TRP A 47 -2.706 0.910 5.784 1.00 0.00 C ATOM 682 CE3 TRP A 47 -1.858 0.742 3.514 1.00 0.00 C ATOM 683 CZ2 TRP A 47 -3.942 1.428 5.379 1.00 0.00 C ATOM 684 CZ3 TRP A 47 -3.099 1.260 3.124 1.00 0.00 C ATOM 685 CH2 TRP A 47 -4.123 1.601 4.001 1.00 0.00 C ATOM 0 H TRP A 47 3.094 -0.648 4.302 1.00 0.00 H new ATOM 0 HA TRP A 47 0.763 0.438 3.173 1.00 0.00 H new ATOM 0 HB2 TRP A 47 0.615 -1.387 4.640 1.00 0.00 H new ATOM 0 HB3 TRP A 47 1.460 -0.542 5.922 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -0.346 -0.169 7.776 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -2.756 0.774 7.935 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -1.084 0.489 2.805 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -4.714 1.681 6.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.273 1.405 2.068 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.053 1.997 3.621 1.00 0.00 H new ATOM 696 N CYS A 48 2.402 2.365 5.257 1.00 0.00 N ATOM 697 CA CYS A 48 2.523 3.726 5.751 1.00 0.00 C ATOM 698 C CYS A 48 2.642 4.664 4.549 1.00 0.00 C ATOM 699 O CYS A 48 1.847 5.591 4.399 1.00 0.00 O ATOM 700 CB CYS A 48 3.705 3.876 6.711 1.00 0.00 C ATOM 701 SG CYS A 48 3.123 3.747 8.443 1.00 0.00 S ATOM 0 H CYS A 48 3.162 1.743 5.531 1.00 0.00 H new ATOM 0 HA CYS A 48 1.636 3.987 6.328 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.448 3.104 6.510 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.193 4.838 6.553 1.00 0.00 H new ATOM 0 HG CYS A 48 4.062 3.230 9.179 1.00 0.00 H new ATOM 707 N LEU A 49 3.641 4.392 3.723 1.00 0.00 N ATOM 708 CA LEU A 49 3.875 5.201 2.539 1.00 0.00 C ATOM 709 C LEU A 49 2.532 5.558 1.898 1.00 0.00 C ATOM 710 O LEU A 49 2.260 6.728 1.632 1.00 0.00 O ATOM 711 CB LEU A 49 4.841 4.492 1.587 1.00 0.00 C ATOM 712 CG LEU A 49 6.320 4.538 1.976 1.00 0.00 C ATOM 713 CD1 LEU A 49 6.512 5.242 3.320 1.00 0.00 C ATOM 714 CD2 LEU A 49 6.932 3.136 1.972 1.00 0.00 C ATOM 0 H LEU A 49 4.298 3.622 3.850 1.00 0.00 H new ATOM 0 HA LEU A 49 4.361 6.139 2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.539 3.448 1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.732 4.933 0.596 1.00 0.00 H new ATOM 0 HG LEU A 49 6.852 5.124 1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.572 5.261 3.573 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.137 6.263 3.253 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.964 4.704 4.094 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.984 3.197 2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.402 2.506 2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.847 2.705 0.975 1.00 0.00 H new ATOM 726 N VAL A 50 1.729 4.529 1.669 1.00 0.00 N ATOM 727 CA VAL A 50 0.423 4.721 1.064 1.00 0.00 C ATOM 728 C VAL A 50 -0.519 5.361 2.086 1.00 0.00 C ATOM 729 O VAL A 50 -1.578 4.814 2.388 1.00 0.00 O ATOM 730 CB VAL A 50 -0.102 3.390 0.520 1.00 0.00 C ATOM 731 CG1 VAL A 50 0.799 2.862 -0.599 1.00 0.00 C ATOM 732 CG2 VAL A 50 -0.248 2.359 1.640 1.00 0.00 C ATOM 0 H VAL A 50 1.958 3.560 1.892 1.00 0.00 H new ATOM 0 HA VAL A 50 0.492 5.401 0.215 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.091 3.567 0.098 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.404 1.916 -0.968 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.829 3.585 -1.414 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.807 2.709 -0.213 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.623 1.423 1.226 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.723 2.187 2.105 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.948 2.731 2.388 1.00 0.00 H new ATOM 742 N ARG A 51 -0.098 6.511 2.592 1.00 0.00 N ATOM 743 CA ARG A 51 -0.890 7.232 3.574 1.00 0.00 C ATOM 744 C ARG A 51 -0.269 8.603 3.853 1.00 0.00 C ATOM 745 O ARG A 51 -0.985 9.592 4.007 1.00 0.00 O ATOM 746 CB ARG A 51 -0.990 6.447 4.883 1.00 0.00 C ATOM 747 CG ARG A 51 -2.370 5.806 5.035 1.00 0.00 C ATOM 748 CD ARG A 51 -2.291 4.525 5.868 1.00 0.00 C ATOM 749 NE ARG A 51 -1.535 4.778 7.115 1.00 0.00 N ATOM 750 CZ ARG A 51 -1.656 4.044 8.229 1.00 0.00 C ATOM 751 NH1 ARG A 51 -2.504 3.007 8.259 1.00 0.00 N ATOM 752 NH2 ARG A 51 -0.930 4.346 9.314 1.00 0.00 N ATOM 0 H ARG A 51 0.782 6.961 2.340 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.892 7.361 3.164 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.222 5.674 4.907 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.800 7.112 5.725 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.052 6.511 5.510 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.780 5.579 4.051 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.295 4.174 6.107 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.806 3.737 5.293 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.881 5.560 7.127 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.057 2.777 7.434 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.596 2.448 9.107 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.284 5.135 9.292 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.023 3.786 10.162 1.00 0.00 H new ATOM 766 N SER A 52 1.053 8.617 3.912 1.00 0.00 N ATOM 767 CA SER A 52 1.778 9.850 4.171 1.00 0.00 C ATOM 768 C SER A 52 1.155 10.999 3.376 1.00 0.00 C ATOM 769 O SER A 52 0.432 10.769 2.408 1.00 0.00 O ATOM 770 CB SER A 52 3.260 9.702 3.818 1.00 0.00 C ATOM 771 OG SER A 52 4.061 10.696 4.451 1.00 0.00 O ATOM 0 H SER A 52 1.642 7.794 3.785 1.00 0.00 H new ATOM 0 HA SER A 52 1.707 10.072 5.236 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.607 8.713 4.116 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.384 9.771 2.737 1.00 0.00 H new ATOM 0 HG SER A 52 4.961 10.687 4.063 1.00 0.00 H new ATOM 777 N LYS A 53 1.458 12.212 3.816 1.00 0.00 N ATOM 778 CA LYS A 53 0.936 13.398 3.158 1.00 0.00 C ATOM 779 C LYS A 53 1.675 13.609 1.835 1.00 0.00 C ATOM 780 O LYS A 53 1.270 14.433 1.017 1.00 0.00 O ATOM 781 CB LYS A 53 1.000 14.604 4.097 1.00 0.00 C ATOM 782 CG LYS A 53 2.435 15.121 4.227 1.00 0.00 C ATOM 783 CD LYS A 53 2.451 16.623 4.518 1.00 0.00 C ATOM 784 CE LYS A 53 3.281 16.930 5.766 1.00 0.00 C ATOM 785 NZ LYS A 53 3.185 18.366 6.113 1.00 0.00 N ATOM 0 H LYS A 53 2.058 12.399 4.620 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.119 13.267 2.917 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.356 15.398 3.719 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.619 14.325 5.080 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.947 14.586 5.027 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.983 14.919 3.307 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.862 17.159 3.662 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.431 16.981 4.658 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.930 16.324 6.601 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.323 16.661 5.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.754 18.557 6.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.541 18.939 5.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.192 18.612 6.299 1.00 0.00 H new ATOM 799 N TYR A 54 2.748 12.848 1.665 1.00 0.00 N ATOM 800 CA TYR A 54 3.547 12.941 0.455 1.00 0.00 C ATOM 801 C TYR A 54 3.118 11.888 -0.568 1.00 0.00 C ATOM 802 O TYR A 54 2.483 10.896 -0.214 1.00 0.00 O ATOM 803 CB TYR A 54 4.990 12.664 0.881 1.00 0.00 C ATOM 804 CG TYR A 54 5.647 13.818 1.642 1.00 0.00 C ATOM 805 CD1 TYR A 54 5.265 14.095 2.938 1.00 0.00 C ATOM 806 CD2 TYR A 54 6.622 14.581 1.031 1.00 0.00 C ATOM 807 CE1 TYR A 54 5.884 15.180 3.655 1.00 0.00 C ATOM 808 CE2 TYR A 54 7.239 15.666 1.747 1.00 0.00 C ATOM 809 CZ TYR A 54 6.840 15.912 3.023 1.00 0.00 C ATOM 810 OH TYR A 54 7.425 16.938 3.699 1.00 0.00 O ATOM 0 H TYR A 54 3.082 12.165 2.345 1.00 0.00 H new ATOM 0 HA TYR A 54 3.429 13.920 -0.009 1.00 0.00 H new ATOM 0 HB2 TYR A 54 5.008 11.772 1.508 1.00 0.00 H new ATOM 0 HB3 TYR A 54 5.584 12.443 -0.006 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.502 13.498 3.415 1.00 0.00 H new ATOM 0 HD2 TYR A 54 6.921 14.364 0.016 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.596 15.407 4.671 1.00 0.00 H new ATOM 0 HE2 TYR A 54 8.002 16.272 1.281 1.00 0.00 H new ATOM 0 HH TYR A 54 8.090 17.372 3.124 1.00 0.00 H new ATOM 820 N ASN A 55 3.484 12.139 -1.817 1.00 0.00 N ATOM 821 CA ASN A 55 3.144 11.224 -2.894 1.00 0.00 C ATOM 822 C ASN A 55 4.343 10.319 -3.185 1.00 0.00 C ATOM 823 O ASN A 55 4.185 9.113 -3.366 1.00 0.00 O ATOM 824 CB ASN A 55 2.804 11.986 -4.177 1.00 0.00 C ATOM 825 CG ASN A 55 1.765 13.077 -3.908 1.00 0.00 C ATOM 826 OD1 ASN A 55 1.994 14.019 -3.168 1.00 0.00 O ATOM 827 ND2 ASN A 55 0.614 12.897 -4.549 1.00 0.00 N ATOM 0 H ASN A 55 4.012 12.962 -2.107 1.00 0.00 H new ATOM 0 HA ASN A 55 2.278 10.641 -2.581 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.708 12.434 -4.589 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.422 11.292 -4.926 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.144 13.570 -4.436 1.00 0.00 H new ATOM 0 HD22 ASN A 55 0.489 12.085 -5.154 1.00 0.00 H new ATOM 834 N GLU A 56 5.515 10.936 -3.220 1.00 0.00 N ATOM 835 CA GLU A 56 6.740 10.202 -3.486 1.00 0.00 C ATOM 836 C GLU A 56 6.817 8.959 -2.597 1.00 0.00 C ATOM 837 O GLU A 56 7.379 7.940 -2.994 1.00 0.00 O ATOM 838 CB GLU A 56 7.968 11.093 -3.291 1.00 0.00 C ATOM 839 CG GLU A 56 8.738 11.261 -4.602 1.00 0.00 C ATOM 840 CD GLU A 56 10.068 11.978 -4.367 1.00 0.00 C ATOM 841 OE1 GLU A 56 10.086 12.870 -3.492 1.00 0.00 O ATOM 842 OE2 GLU A 56 11.038 11.619 -5.070 1.00 0.00 O ATOM 0 H GLU A 56 5.642 11.937 -3.068 1.00 0.00 H new ATOM 0 HA GLU A 56 6.729 9.880 -4.527 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.658 12.070 -2.920 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.621 10.657 -2.535 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.921 10.284 -5.048 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.136 11.828 -5.312 1.00 0.00 H new ATOM 849 N ASP A 57 6.245 9.085 -1.408 1.00 0.00 N ATOM 850 CA ASP A 57 6.241 7.984 -0.459 1.00 0.00 C ATOM 851 C ASP A 57 5.254 6.914 -0.928 1.00 0.00 C ATOM 852 O ASP A 57 5.630 5.759 -1.117 1.00 0.00 O ATOM 853 CB ASP A 57 5.803 8.456 0.930 1.00 0.00 C ATOM 854 CG ASP A 57 6.751 9.451 1.603 1.00 0.00 C ATOM 855 OD1 ASP A 57 7.813 9.720 1.002 1.00 0.00 O ATOM 856 OD2 ASP A 57 6.390 9.921 2.704 1.00 0.00 O ATOM 0 H ASP A 57 5.781 9.932 -1.080 1.00 0.00 H new ATOM 0 HA ASP A 57 7.254 7.585 -0.402 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.818 8.915 0.847 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.696 7.585 1.576 1.00 0.00 H new ATOM 861 N ILE A 58 4.010 7.338 -1.102 1.00 0.00 N ATOM 862 CA ILE A 58 2.966 6.430 -1.545 1.00 0.00 C ATOM 863 C ILE A 58 3.572 5.376 -2.474 1.00 0.00 C ATOM 864 O ILE A 58 3.427 4.178 -2.238 1.00 0.00 O ATOM 865 CB ILE A 58 1.809 7.210 -2.172 1.00 0.00 C ATOM 866 CG1 ILE A 58 1.011 7.961 -1.105 1.00 0.00 C ATOM 867 CG2 ILE A 58 0.920 6.290 -3.012 1.00 0.00 C ATOM 868 CD1 ILE A 58 0.077 8.991 -1.742 1.00 0.00 C ATOM 0 H ILE A 58 3.702 8.298 -0.944 1.00 0.00 H new ATOM 0 HA ILE A 58 2.538 5.898 -0.695 1.00 0.00 H new ATOM 0 HB ILE A 58 2.227 7.958 -2.846 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.429 7.253 -0.516 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.695 8.460 -0.419 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.105 6.869 -3.447 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.512 5.841 -3.810 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.509 5.504 -2.379 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.478 9.511 -0.961 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.664 9.712 -2.311 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.621 8.485 -2.409 1.00 0.00 H new ATOM 880 N ARG A 59 4.239 5.861 -3.511 1.00 0.00 N ATOM 881 CA ARG A 59 4.869 4.976 -4.476 1.00 0.00 C ATOM 882 C ARG A 59 5.638 3.866 -3.757 1.00 0.00 C ATOM 883 O ARG A 59 5.427 2.685 -4.026 1.00 0.00 O ATOM 884 CB ARG A 59 5.830 5.746 -5.385 1.00 0.00 C ATOM 885 CG ARG A 59 6.061 4.997 -6.698 1.00 0.00 C ATOM 886 CD ARG A 59 7.110 5.706 -7.557 1.00 0.00 C ATOM 887 NE ARG A 59 7.483 4.854 -8.708 1.00 0.00 N ATOM 888 CZ ARG A 59 8.627 4.976 -9.393 1.00 0.00 C ATOM 889 NH1 ARG A 59 9.518 5.916 -9.049 1.00 0.00 N ATOM 890 NH2 ARG A 59 8.881 4.159 -10.425 1.00 0.00 N ATOM 0 H ARG A 59 4.357 6.856 -3.704 1.00 0.00 H new ATOM 0 HA ARG A 59 4.080 4.538 -5.088 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.424 6.736 -5.593 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.781 5.892 -4.874 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.387 3.978 -6.487 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.123 4.924 -7.249 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.717 6.659 -7.912 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.993 5.928 -6.958 1.00 0.00 H new ATOM 0 HE ARG A 59 6.827 4.128 -8.998 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.325 6.539 -8.265 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.389 6.008 -9.571 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.203 3.444 -10.689 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.753 4.252 -10.947 1.00 0.00 H new ATOM 904 N ARG A 60 6.513 4.285 -2.854 1.00 0.00 N ATOM 905 CA ARG A 60 7.314 3.341 -2.094 1.00 0.00 C ATOM 906 C ARG A 60 6.414 2.304 -1.420 1.00 0.00 C ATOM 907 O ARG A 60 6.798 1.143 -1.278 1.00 0.00 O ATOM 908 CB ARG A 60 8.142 4.057 -1.025 1.00 0.00 C ATOM 909 CG ARG A 60 9.497 4.498 -1.586 1.00 0.00 C ATOM 910 CD ARG A 60 9.652 6.018 -1.514 1.00 0.00 C ATOM 911 NE ARG A 60 11.029 6.405 -1.892 1.00 0.00 N ATOM 912 CZ ARG A 60 11.469 6.481 -3.155 1.00 0.00 C ATOM 913 NH1 ARG A 60 10.641 6.196 -4.170 1.00 0.00 N ATOM 914 NH2 ARG A 60 12.735 6.840 -3.405 1.00 0.00 N ATOM 0 H ARG A 60 6.684 5.266 -2.632 1.00 0.00 H new ATOM 0 HA ARG A 60 7.990 2.844 -2.790 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.596 4.926 -0.658 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.295 3.394 -0.174 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.300 4.020 -1.025 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.591 4.168 -2.621 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.935 6.497 -2.181 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.431 6.367 -0.505 1.00 0.00 H new ATOM 0 HE ARG A 60 11.685 6.628 -1.143 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.677 5.922 -3.980 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.975 6.254 -5.132 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.366 7.056 -2.633 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.068 6.897 -4.367 1.00 0.00 H new ATOM 928 N GLY A 61 5.235 2.758 -1.024 1.00 0.00 N ATOM 929 CA GLY A 61 4.277 1.883 -0.369 1.00 0.00 C ATOM 930 C GLY A 61 3.646 0.914 -1.370 1.00 0.00 C ATOM 931 O GLY A 61 2.862 0.045 -0.990 1.00 0.00 O ATOM 0 H GLY A 61 4.920 3.721 -1.144 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.774 1.322 0.422 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.498 2.480 0.105 1.00 0.00 H new ATOM 935 N ILE A 62 4.013 1.092 -2.630 1.00 0.00 N ATOM 936 CA ILE A 62 3.492 0.244 -3.689 1.00 0.00 C ATOM 937 C ILE A 62 4.474 -0.900 -3.948 1.00 0.00 C ATOM 938 O ILE A 62 4.173 -2.058 -3.663 1.00 0.00 O ATOM 939 CB ILE A 62 3.174 1.075 -4.934 1.00 0.00 C ATOM 940 CG1 ILE A 62 2.229 2.230 -4.595 1.00 0.00 C ATOM 941 CG2 ILE A 62 2.621 0.193 -6.055 1.00 0.00 C ATOM 942 CD1 ILE A 62 1.892 3.047 -5.844 1.00 0.00 C ATOM 0 H ILE A 62 4.665 1.811 -2.942 1.00 0.00 H new ATOM 0 HA ILE A 62 2.547 -0.207 -3.386 1.00 0.00 H new ATOM 0 HB ILE A 62 4.103 1.514 -5.298 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.312 1.837 -4.155 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.691 2.875 -3.848 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.403 0.808 -6.928 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.359 -0.564 -6.320 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.706 -0.294 -5.717 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.219 3.861 -5.575 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.808 3.458 -6.268 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.408 2.404 -6.580 1.00 0.00 H new ATOM 954 N VAL A 63 5.629 -0.536 -4.486 1.00 0.00 N ATOM 955 CA VAL A 63 6.658 -1.517 -4.787 1.00 0.00 C ATOM 956 C VAL A 63 6.533 -2.694 -3.816 1.00 0.00 C ATOM 957 O VAL A 63 6.268 -3.820 -4.231 1.00 0.00 O ATOM 958 CB VAL A 63 8.037 -0.857 -4.753 1.00 0.00 C ATOM 959 CG1 VAL A 63 8.162 0.091 -3.559 1.00 0.00 C ATOM 960 CG2 VAL A 63 9.148 -1.910 -4.736 1.00 0.00 C ATOM 0 H VAL A 63 5.875 0.425 -4.721 1.00 0.00 H new ATOM 0 HA VAL A 63 6.527 -1.911 -5.795 1.00 0.00 H new ATOM 0 HB VAL A 63 8.148 -0.266 -5.662 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.152 0.547 -3.559 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.404 0.870 -3.632 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.020 -0.468 -2.634 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.119 -1.415 -4.712 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.040 -2.539 -3.852 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.078 -2.527 -5.632 1.00 0.00 H new ATOM 970 N LEU A 64 6.731 -2.390 -2.541 1.00 0.00 N ATOM 971 CA LEU A 64 6.645 -3.409 -1.508 1.00 0.00 C ATOM 972 C LEU A 64 5.321 -4.161 -1.650 1.00 0.00 C ATOM 973 O LEU A 64 5.311 -5.381 -1.809 1.00 0.00 O ATOM 974 CB LEU A 64 6.854 -2.787 -0.125 1.00 0.00 C ATOM 975 CG LEU A 64 7.781 -1.571 -0.069 1.00 0.00 C ATOM 976 CD1 LEU A 64 8.000 -1.115 1.375 1.00 0.00 C ATOM 977 CD2 LEU A 64 9.102 -1.855 -0.788 1.00 0.00 C ATOM 0 H LEU A 64 6.950 -1.454 -2.200 1.00 0.00 H new ATOM 0 HA LEU A 64 7.443 -4.142 -1.627 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.881 -2.496 0.271 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.252 -3.554 0.540 1.00 0.00 H new ATOM 0 HG LEU A 64 7.298 -0.748 -0.596 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.662 -0.249 1.387 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.042 -0.845 1.821 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.451 -1.925 1.948 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.743 -0.975 -0.733 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.602 -2.698 -0.311 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.903 -2.095 -1.833 1.00 0.00 H new ATOM 989 N LEU A 65 4.235 -3.404 -1.587 1.00 0.00 N ATOM 990 CA LEU A 65 2.909 -3.985 -1.706 1.00 0.00 C ATOM 991 C LEU A 65 2.849 -4.852 -2.966 1.00 0.00 C ATOM 992 O LEU A 65 2.362 -5.981 -2.924 1.00 0.00 O ATOM 993 CB LEU A 65 1.839 -2.893 -1.660 1.00 0.00 C ATOM 994 CG LEU A 65 0.894 -2.931 -0.458 1.00 0.00 C ATOM 995 CD1 LEU A 65 1.634 -3.366 0.808 1.00 0.00 C ATOM 996 CD2 LEU A 65 0.186 -1.587 -0.274 1.00 0.00 C ATOM 0 H LEU A 65 4.247 -2.393 -1.455 1.00 0.00 H new ATOM 0 HA LEU A 65 2.701 -4.638 -0.858 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.337 -1.923 -1.675 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.241 -2.959 -2.569 1.00 0.00 H new ATOM 0 HG LEU A 65 0.124 -3.677 -0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.939 -3.385 1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.052 -4.362 0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.439 -2.662 1.019 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.480 -1.641 0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.927 -0.805 -0.111 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.394 -1.356 -1.167 1.00 0.00 H new ATOM 1008 N GLU A 66 3.348 -4.291 -4.057 1.00 0.00 N ATOM 1009 CA GLU A 66 3.357 -4.997 -5.326 1.00 0.00 C ATOM 1010 C GLU A 66 4.371 -6.143 -5.288 1.00 0.00 C ATOM 1011 O GLU A 66 4.339 -7.032 -6.137 1.00 0.00 O ATOM 1012 CB GLU A 66 3.653 -4.042 -6.484 1.00 0.00 C ATOM 1013 CG GLU A 66 2.446 -3.149 -6.779 1.00 0.00 C ATOM 1014 CD GLU A 66 2.735 -2.206 -7.950 1.00 0.00 C ATOM 1015 OE1 GLU A 66 3.836 -1.615 -7.944 1.00 0.00 O ATOM 1016 OE2 GLU A 66 1.848 -2.099 -8.824 1.00 0.00 O ATOM 0 H GLU A 66 3.750 -3.354 -4.088 1.00 0.00 H new ATOM 0 HA GLU A 66 2.366 -5.419 -5.491 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.516 -3.424 -6.239 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.913 -4.614 -7.375 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.579 -3.768 -7.011 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.194 -2.567 -5.892 1.00 0.00 H new ATOM 1023 N GLU A 67 5.245 -6.085 -4.295 1.00 0.00 N ATOM 1024 CA GLU A 67 6.266 -7.106 -4.135 1.00 0.00 C ATOM 1025 C GLU A 67 5.746 -8.242 -3.251 1.00 0.00 C ATOM 1026 O GLU A 67 6.092 -9.404 -3.460 1.00 0.00 O ATOM 1027 CB GLU A 67 7.553 -6.511 -3.564 1.00 0.00 C ATOM 1028 CG GLU A 67 8.401 -5.874 -4.667 1.00 0.00 C ATOM 1029 CD GLU A 67 9.874 -6.262 -4.520 1.00 0.00 C ATOM 1030 OE1 GLU A 67 10.134 -7.482 -4.431 1.00 0.00 O ATOM 1031 OE2 GLU A 67 10.707 -5.331 -4.499 1.00 0.00 O ATOM 0 H GLU A 67 5.267 -5.346 -3.592 1.00 0.00 H new ATOM 0 HA GLU A 67 6.500 -7.515 -5.118 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.308 -5.762 -2.811 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.127 -7.291 -3.064 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.033 -6.192 -5.643 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.301 -4.789 -4.627 1.00 0.00 H new ATOM 1038 N LEU A 68 4.925 -7.866 -2.282 1.00 0.00 N ATOM 1039 CA LEU A 68 4.354 -8.837 -1.365 1.00 0.00 C ATOM 1040 C LEU A 68 3.124 -9.479 -2.008 1.00 0.00 C ATOM 1041 O LEU A 68 2.642 -10.511 -1.544 1.00 0.00 O ATOM 1042 CB LEU A 68 4.072 -8.191 -0.007 1.00 0.00 C ATOM 1043 CG LEU A 68 5.255 -7.486 0.659 1.00 0.00 C ATOM 1044 CD1 LEU A 68 4.793 -6.241 1.419 1.00 0.00 C ATOM 1045 CD2 LEU A 68 6.035 -8.449 1.556 1.00 0.00 C ATOM 0 H LEU A 68 4.641 -6.901 -2.112 1.00 0.00 H new ATOM 0 HA LEU A 68 5.066 -9.639 -1.169 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.267 -7.467 -0.132 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.706 -8.962 0.671 1.00 0.00 H new ATOM 0 HG LEU A 68 5.937 -7.152 -0.123 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.653 -5.758 1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.318 -5.547 0.726 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.079 -6.530 2.190 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.870 -7.921 2.017 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.377 -8.836 2.334 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.415 -9.277 0.957 1.00 0.00 H new ATOM 1057 N LEU A 69 2.649 -8.840 -3.068 1.00 0.00 N ATOM 1058 CA LEU A 69 1.482 -9.335 -3.780 1.00 0.00 C ATOM 1059 C LEU A 69 1.703 -10.803 -4.151 1.00 0.00 C ATOM 1060 O LEU A 69 0.960 -11.677 -3.709 1.00 0.00 O ATOM 1061 CB LEU A 69 1.166 -8.438 -4.978 1.00 0.00 C ATOM 1062 CG LEU A 69 -0.140 -7.646 -4.897 1.00 0.00 C ATOM 1063 CD1 LEU A 69 -1.312 -8.558 -4.527 1.00 0.00 C ATOM 1064 CD2 LEU A 69 -0.006 -6.465 -3.934 1.00 0.00 C ATOM 0 H LEU A 69 3.051 -7.984 -3.451 1.00 0.00 H new ATOM 0 HA LEU A 69 0.600 -9.296 -3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.988 -7.733 -5.106 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.136 -9.059 -5.874 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.352 -7.234 -5.884 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.228 -7.970 -4.476 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.421 -9.335 -5.283 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.122 -9.019 -3.558 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.948 -5.919 -3.895 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.241 -6.834 -2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.785 -5.800 -4.282 1.00 0.00 H new ATOM 1076 N PRO A 70 2.754 -11.034 -4.982 1.00 0.00 N ATOM 1077 CA PRO A 70 3.081 -12.381 -5.419 1.00 0.00 C ATOM 1078 C PRO A 70 3.751 -13.173 -4.295 1.00 0.00 C ATOM 1079 O PRO A 70 3.714 -14.403 -4.290 1.00 0.00 O ATOM 1080 CB PRO A 70 3.979 -12.194 -6.632 1.00 0.00 C ATOM 1081 CG PRO A 70 4.497 -10.768 -6.550 1.00 0.00 C ATOM 1082 CD PRO A 70 3.655 -10.023 -5.527 1.00 0.00 C ATOM 0 HA PRO A 70 2.199 -12.965 -5.680 1.00 0.00 H new ATOM 0 HB2 PRO A 70 4.801 -12.909 -6.623 1.00 0.00 H new ATOM 0 HB3 PRO A 70 3.425 -12.356 -7.557 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.547 -10.760 -6.258 1.00 0.00 H new ATOM 0 HG3 PRO A 70 4.433 -10.282 -7.524 1.00 0.00 H new ATOM 0 HD2 PRO A 70 4.277 -9.584 -4.746 1.00 0.00 H new ATOM 0 HD3 PRO A 70 3.101 -9.206 -5.990 1.00 0.00 H new ATOM 1090 N LYS A 71 4.348 -12.438 -3.369 1.00 0.00 N ATOM 1091 CA LYS A 71 5.025 -13.056 -2.243 1.00 0.00 C ATOM 1092 C LYS A 71 4.045 -13.189 -1.075 1.00 0.00 C ATOM 1093 O LYS A 71 4.461 -13.292 0.079 1.00 0.00 O ATOM 1094 CB LYS A 71 6.299 -12.283 -1.892 1.00 0.00 C ATOM 1095 CG LYS A 71 7.404 -12.555 -2.914 1.00 0.00 C ATOM 1096 CD LYS A 71 8.781 -12.230 -2.332 1.00 0.00 C ATOM 1097 CE LYS A 71 9.855 -12.253 -3.421 1.00 0.00 C ATOM 1098 NZ LYS A 71 10.682 -13.476 -3.310 1.00 0.00 N ATOM 0 H LYS A 71 4.377 -11.418 -3.376 1.00 0.00 H new ATOM 0 HA LYS A 71 5.353 -14.063 -2.502 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.083 -11.215 -1.860 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.640 -12.570 -0.897 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.372 -13.601 -3.220 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.233 -11.956 -3.808 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.758 -11.248 -1.860 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.031 -12.952 -1.554 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.385 -12.213 -4.404 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.488 -11.370 -3.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.406 -13.475 -4.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.145 -13.499 -2.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.077 -14.315 -3.416 1.00 0.00 H new ATOM 1112 N GLY A 72 2.766 -13.183 -1.414 1.00 0.00 N ATOM 1113 CA GLY A 72 1.724 -13.302 -0.409 1.00 0.00 C ATOM 1114 C GLY A 72 1.367 -14.768 -0.159 1.00 0.00 C ATOM 1115 O GLY A 72 2.014 -15.668 -0.694 1.00 0.00 O ATOM 0 H GLY A 72 2.426 -13.097 -2.372 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.057 -12.842 0.521 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.837 -12.758 -0.734 1.00 0.00 H new ATOM 1119 N SER A 73 0.339 -14.965 0.654 1.00 0.00 N ATOM 1120 CA SER A 73 -0.112 -16.307 0.980 1.00 0.00 C ATOM 1121 C SER A 73 -1.427 -16.608 0.259 1.00 0.00 C ATOM 1122 O SER A 73 -1.513 -17.563 -0.511 1.00 0.00 O ATOM 1123 CB SER A 73 -0.282 -16.478 2.490 1.00 0.00 C ATOM 1124 OG SER A 73 0.934 -16.863 3.126 1.00 0.00 O ATOM 0 H SER A 73 -0.195 -14.217 1.097 1.00 0.00 H new ATOM 0 HA SER A 73 0.647 -17.014 0.645 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.637 -15.543 2.923 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.047 -17.230 2.686 1.00 0.00 H new ATOM 0 HG SER A 73 0.783 -16.960 4.089 1.00 0.00 H new ATOM 1130 N LYS A 74 -2.419 -15.774 0.535 1.00 0.00 N ATOM 1131 CA LYS A 74 -3.727 -15.938 -0.078 1.00 0.00 C ATOM 1132 C LYS A 74 -4.655 -14.822 0.404 1.00 0.00 C ATOM 1133 O LYS A 74 -5.027 -13.941 -0.372 1.00 0.00 O ATOM 1134 CB LYS A 74 -4.268 -17.345 0.185 1.00 0.00 C ATOM 1135 CG LYS A 74 -4.413 -18.129 -1.121 1.00 0.00 C ATOM 1136 CD LYS A 74 -5.569 -17.585 -1.963 1.00 0.00 C ATOM 1137 CE LYS A 74 -5.621 -18.270 -3.330 1.00 0.00 C ATOM 1138 NZ LYS A 74 -6.989 -18.763 -3.610 1.00 0.00 N ATOM 0 H LYS A 74 -2.344 -14.983 1.175 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.655 -15.846 -1.162 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.597 -17.876 0.860 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.235 -17.279 0.683 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.485 -18.070 -1.690 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.584 -19.182 -0.900 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.511 -17.741 -1.438 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.453 -16.509 -2.095 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.314 -17.569 -4.107 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.916 -19.101 -3.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -7.008 -19.225 -4.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.268 -19.447 -2.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.654 -17.963 -3.607 1.00 0.00 H new ATOM 1152 N GLU A 75 -5.002 -14.894 1.680 1.00 0.00 N ATOM 1153 CA GLU A 75 -5.880 -13.900 2.274 1.00 0.00 C ATOM 1154 C GLU A 75 -5.109 -12.607 2.547 1.00 0.00 C ATOM 1155 O GLU A 75 -5.694 -11.607 2.963 1.00 0.00 O ATOM 1156 CB GLU A 75 -6.525 -14.433 3.554 1.00 0.00 C ATOM 1157 CG GLU A 75 -7.691 -15.371 3.230 1.00 0.00 C ATOM 1158 CD GLU A 75 -8.204 -16.064 4.495 1.00 0.00 C ATOM 1159 OE1 GLU A 75 -7.409 -16.826 5.086 1.00 0.00 O ATOM 1160 OE2 GLU A 75 -9.378 -15.815 4.841 1.00 0.00 O ATOM 0 H GLU A 75 -4.691 -15.625 2.320 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.680 -13.681 1.567 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.780 -14.964 4.147 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.881 -13.600 4.160 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.500 -14.806 2.767 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.370 -16.119 2.505 1.00 0.00 H new ATOM 1167 N GLU A 76 -3.809 -12.667 2.301 1.00 0.00 N ATOM 1168 CA GLU A 76 -2.952 -11.513 2.514 1.00 0.00 C ATOM 1169 C GLU A 76 -2.963 -10.607 1.282 1.00 0.00 C ATOM 1170 O GLU A 76 -2.649 -9.422 1.374 1.00 0.00 O ATOM 1171 CB GLU A 76 -1.527 -11.945 2.865 1.00 0.00 C ATOM 1172 CG GLU A 76 -1.449 -12.468 4.299 1.00 0.00 C ATOM 1173 CD GLU A 76 -1.140 -11.336 5.281 1.00 0.00 C ATOM 1174 OE1 GLU A 76 0.065 -11.087 5.499 1.00 0.00 O ATOM 1175 OE2 GLU A 76 -2.116 -10.745 5.791 1.00 0.00 O ATOM 0 H GLU A 76 -3.328 -13.497 1.956 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.343 -10.947 3.359 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.198 -12.720 2.173 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.848 -11.101 2.745 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.393 -12.941 4.569 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.678 -13.235 4.368 1.00 0.00 H new ATOM 1182 N GLN A 77 -3.330 -11.201 0.155 1.00 0.00 N ATOM 1183 CA GLN A 77 -3.387 -10.463 -1.096 1.00 0.00 C ATOM 1184 C GLN A 77 -4.561 -9.480 -1.080 1.00 0.00 C ATOM 1185 O GLN A 77 -4.541 -8.473 -1.786 1.00 0.00 O ATOM 1186 CB GLN A 77 -3.485 -11.414 -2.290 1.00 0.00 C ATOM 1187 CG GLN A 77 -2.111 -11.643 -2.922 1.00 0.00 C ATOM 1188 CD GLN A 77 -2.245 -12.073 -4.385 1.00 0.00 C ATOM 1189 OE1 GLN A 77 -3.189 -11.728 -5.075 1.00 0.00 O ATOM 1190 NE2 GLN A 77 -1.249 -12.841 -4.817 1.00 0.00 N ATOM 0 H GLN A 77 -3.591 -12.184 0.082 1.00 0.00 H new ATOM 0 HA GLN A 77 -2.463 -9.894 -1.202 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -3.904 -12.367 -1.967 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -4.167 -11.001 -3.033 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.521 -10.728 -2.861 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -1.572 -12.408 -2.362 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.488 -13.093 -4.186 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -1.246 -13.178 -5.780 1.00 0.00 H new ATOM 1199 N ARG A 78 -5.554 -9.807 -0.266 1.00 0.00 N ATOM 1200 CA ARG A 78 -6.732 -8.966 -0.148 1.00 0.00 C ATOM 1201 C ARG A 78 -6.398 -7.688 0.624 1.00 0.00 C ATOM 1202 O ARG A 78 -6.970 -6.632 0.359 1.00 0.00 O ATOM 1203 CB ARG A 78 -7.867 -9.704 0.566 1.00 0.00 C ATOM 1204 CG ARG A 78 -8.486 -10.769 -0.341 1.00 0.00 C ATOM 1205 CD ARG A 78 -7.674 -12.064 -0.302 1.00 0.00 C ATOM 1206 NE ARG A 78 -8.577 -13.221 -0.112 1.00 0.00 N ATOM 1207 CZ ARG A 78 -9.313 -13.427 0.989 1.00 0.00 C ATOM 1208 NH1 ARG A 78 -9.259 -12.555 2.005 1.00 0.00 N ATOM 1209 NH2 ARG A 78 -10.105 -14.505 1.074 1.00 0.00 N ATOM 0 H ARG A 78 -5.567 -10.643 0.318 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.058 -8.710 -1.156 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.487 -10.171 1.474 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.633 -8.991 0.871 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.510 -10.969 -0.026 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.534 -10.397 -1.364 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.112 -12.179 -1.229 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.947 -12.023 0.509 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.643 -13.904 -0.866 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.657 -11.734 1.941 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.819 -12.712 2.843 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.148 -15.169 0.301 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.665 -14.662 1.912 1.00 0.00 H new ATOM 1223 N ASP A 79 -5.473 -7.827 1.562 1.00 0.00 N ATOM 1224 CA ASP A 79 -5.056 -6.696 2.375 1.00 0.00 C ATOM 1225 C ASP A 79 -4.060 -5.846 1.584 1.00 0.00 C ATOM 1226 O ASP A 79 -3.794 -4.700 1.943 1.00 0.00 O ATOM 1227 CB ASP A 79 -4.365 -7.164 3.656 1.00 0.00 C ATOM 1228 CG ASP A 79 -5.309 -7.622 4.770 1.00 0.00 C ATOM 1229 OD1 ASP A 79 -6.313 -6.911 4.990 1.00 0.00 O ATOM 1230 OD2 ASP A 79 -5.005 -8.672 5.376 1.00 0.00 O ATOM 0 H ASP A 79 -5.000 -8.705 1.778 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.945 -6.121 2.635 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.693 -7.986 3.409 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.747 -6.350 4.036 1.00 0.00 H new ATOM 1235 N TYR A 80 -3.537 -6.439 0.521 1.00 0.00 N ATOM 1236 CA TYR A 80 -2.576 -5.750 -0.324 1.00 0.00 C ATOM 1237 C TYR A 80 -3.285 -4.870 -1.356 1.00 0.00 C ATOM 1238 O TYR A 80 -3.301 -3.647 -1.226 1.00 0.00 O ATOM 1239 CB TYR A 80 -1.797 -6.845 -1.055 1.00 0.00 C ATOM 1240 CG TYR A 80 -0.825 -7.620 -0.162 1.00 0.00 C ATOM 1241 CD1 TYR A 80 -0.463 -7.110 1.068 1.00 0.00 C ATOM 1242 CD2 TYR A 80 -0.311 -8.827 -0.588 1.00 0.00 C ATOM 1243 CE1 TYR A 80 0.451 -7.839 1.908 1.00 0.00 C ATOM 1244 CE2 TYR A 80 0.604 -9.556 0.252 1.00 0.00 C ATOM 1245 CZ TYR A 80 0.939 -9.026 1.459 1.00 0.00 C ATOM 1246 OH TYR A 80 1.803 -9.713 2.253 1.00 0.00 O ATOM 0 H TYR A 80 -3.761 -7.389 0.225 1.00 0.00 H new ATOM 0 HA TYR A 80 -1.931 -5.106 0.274 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.505 -7.546 -1.498 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.239 -6.394 -1.876 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.865 -6.164 1.400 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -0.595 -9.225 -1.551 1.00 0.00 H new ATOM 0 HE1 TYR A 80 0.743 -7.452 2.873 1.00 0.00 H new ATOM 0 HE2 TYR A 80 1.015 -10.502 -0.069 1.00 0.00 H new ATOM 0 HH TYR A 80 2.069 -10.543 1.805 1.00 0.00 H new ATOM 1256 N VAL A 81 -3.855 -5.526 -2.355 1.00 0.00 N ATOM 1257 CA VAL A 81 -4.563 -4.819 -3.408 1.00 0.00 C ATOM 1258 C VAL A 81 -5.292 -3.616 -2.806 1.00 0.00 C ATOM 1259 O VAL A 81 -5.092 -2.483 -3.241 1.00 0.00 O ATOM 1260 CB VAL A 81 -5.499 -5.778 -4.145 1.00 0.00 C ATOM 1261 CG1 VAL A 81 -6.171 -5.085 -5.332 1.00 0.00 C ATOM 1262 CG2 VAL A 81 -4.752 -7.035 -4.596 1.00 0.00 C ATOM 0 H VAL A 81 -3.841 -6.541 -2.458 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.862 -4.437 -4.150 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.280 -6.084 -3.449 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -6.831 -5.789 -5.838 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.752 -4.235 -4.975 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.409 -4.737 -6.029 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.441 -7.700 -5.117 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.940 -6.755 -5.267 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.342 -7.547 -3.725 1.00 0.00 H new ATOM 1272 N PHE A 82 -6.125 -3.904 -1.816 1.00 0.00 N ATOM 1273 CA PHE A 82 -6.885 -2.860 -1.150 1.00 0.00 C ATOM 1274 C PHE A 82 -6.050 -1.587 -0.994 1.00 0.00 C ATOM 1275 O PHE A 82 -6.535 -0.486 -1.248 1.00 0.00 O ATOM 1276 CB PHE A 82 -7.250 -3.389 0.238 1.00 0.00 C ATOM 1277 CG PHE A 82 -8.046 -2.399 1.092 1.00 0.00 C ATOM 1278 CD1 PHE A 82 -9.150 -1.793 0.578 1.00 0.00 C ATOM 1279 CD2 PHE A 82 -7.650 -2.126 2.364 1.00 0.00 C ATOM 1280 CE1 PHE A 82 -9.889 -0.874 1.369 1.00 0.00 C ATOM 1281 CE2 PHE A 82 -8.389 -1.208 3.155 1.00 0.00 C ATOM 1282 CZ PHE A 82 -9.493 -0.601 2.641 1.00 0.00 C ATOM 0 H PHE A 82 -6.290 -4.845 -1.459 1.00 0.00 H new ATOM 0 HA PHE A 82 -7.769 -2.612 -1.737 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.831 -4.305 0.125 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.335 -3.655 0.767 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.465 -2.011 -0.432 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -6.774 -2.607 2.772 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.765 -0.392 0.961 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -8.075 -0.991 4.165 1.00 0.00 H new ATOM 0 HZ PHE A 82 -10.055 0.098 3.243 1.00 0.00 H new ATOM 1292 N TYR A 83 -4.807 -1.781 -0.577 1.00 0.00 N ATOM 1293 CA TYR A 83 -3.899 -0.662 -0.384 1.00 0.00 C ATOM 1294 C TYR A 83 -3.339 -0.175 -1.722 1.00 0.00 C ATOM 1295 O TYR A 83 -3.345 1.023 -2.002 1.00 0.00 O ATOM 1296 CB TYR A 83 -2.750 -1.195 0.473 1.00 0.00 C ATOM 1297 CG TYR A 83 -3.104 -1.364 1.952 1.00 0.00 C ATOM 1298 CD1 TYR A 83 -4.381 -1.082 2.392 1.00 0.00 C ATOM 1299 CD2 TYR A 83 -2.146 -1.798 2.846 1.00 0.00 C ATOM 1300 CE1 TYR A 83 -4.714 -1.240 3.785 1.00 0.00 C ATOM 1301 CE2 TYR A 83 -2.478 -1.957 4.238 1.00 0.00 C ATOM 1302 CZ TYR A 83 -3.747 -1.671 4.638 1.00 0.00 C ATOM 1303 OH TYR A 83 -4.061 -1.821 5.953 1.00 0.00 O ATOM 0 H TYR A 83 -4.407 -2.696 -0.367 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.415 0.176 0.084 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -2.429 -2.157 0.074 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -1.902 -0.516 0.388 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -5.131 -0.743 1.693 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -1.147 -2.018 2.501 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -5.709 -1.021 4.143 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -1.738 -2.295 4.948 1.00 0.00 H new ATOM 0 HH TYR A 83 -3.726 -1.052 6.459 1.00 0.00 H new ATOM 1313 N LEU A 84 -2.867 -1.128 -2.512 1.00 0.00 N ATOM 1314 CA LEU A 84 -2.304 -0.811 -3.813 1.00 0.00 C ATOM 1315 C LEU A 84 -3.244 0.144 -4.552 1.00 0.00 C ATOM 1316 O LEU A 84 -2.793 0.997 -5.314 1.00 0.00 O ATOM 1317 CB LEU A 84 -1.994 -2.092 -4.590 1.00 0.00 C ATOM 1318 CG LEU A 84 -0.724 -2.838 -4.174 1.00 0.00 C ATOM 1319 CD1 LEU A 84 -0.979 -3.713 -2.946 1.00 0.00 C ATOM 1320 CD2 LEU A 84 -0.153 -3.643 -5.343 1.00 0.00 C ATOM 0 H LEU A 84 -2.863 -2.120 -2.276 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.350 -0.296 -3.699 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.841 -2.770 -4.486 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.914 -1.842 -5.648 1.00 0.00 H new ATOM 0 HG LEU A 84 0.028 -2.101 -3.893 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.060 -4.232 -2.672 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.304 -3.087 -2.115 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.754 -4.444 -3.175 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.749 -4.163 -5.020 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.892 -4.371 -5.679 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.091 -2.969 -6.164 1.00 0.00 H new ATOM 1332 N ALA A 85 -4.532 -0.034 -4.301 1.00 0.00 N ATOM 1333 CA ALA A 85 -5.540 0.802 -4.933 1.00 0.00 C ATOM 1334 C ALA A 85 -5.611 2.146 -4.206 1.00 0.00 C ATOM 1335 O ALA A 85 -5.825 3.183 -4.831 1.00 0.00 O ATOM 1336 CB ALA A 85 -6.882 0.069 -4.936 1.00 0.00 C ATOM 0 H ALA A 85 -4.902 -0.744 -3.669 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.276 1.003 -5.971 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.638 0.696 -5.410 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.785 -0.865 -5.490 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.181 -0.147 -3.910 1.00 0.00 H new ATOM 1342 N VAL A 86 -5.427 2.085 -2.896 1.00 0.00 N ATOM 1343 CA VAL A 86 -5.468 3.284 -2.076 1.00 0.00 C ATOM 1344 C VAL A 86 -4.297 4.194 -2.454 1.00 0.00 C ATOM 1345 O VAL A 86 -4.471 5.400 -2.615 1.00 0.00 O ATOM 1346 CB VAL A 86 -5.478 2.905 -0.594 1.00 0.00 C ATOM 1347 CG1 VAL A 86 -4.850 4.011 0.258 1.00 0.00 C ATOM 1348 CG2 VAL A 86 -6.896 2.586 -0.119 1.00 0.00 C ATOM 0 H VAL A 86 -5.249 1.223 -2.381 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.386 3.842 -2.260 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.875 2.005 -0.474 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.869 3.717 1.307 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.818 4.170 -0.055 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.415 4.934 0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -6.874 2.320 0.938 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.532 3.460 -0.260 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.294 1.751 -0.696 1.00 0.00 H new ATOM 1358 N GLY A 87 -3.130 3.580 -2.584 1.00 0.00 N ATOM 1359 CA GLY A 87 -1.931 4.319 -2.939 1.00 0.00 C ATOM 1360 C GLY A 87 -1.995 4.803 -4.389 1.00 0.00 C ATOM 1361 O GLY A 87 -1.752 5.978 -4.667 1.00 0.00 O ATOM 0 H GLY A 87 -2.990 2.579 -2.450 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -1.815 5.173 -2.272 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.055 3.685 -2.802 1.00 0.00 H new ATOM 1365 N ASN A 88 -2.323 3.875 -5.275 1.00 0.00 N ATOM 1366 CA ASN A 88 -2.421 4.193 -6.690 1.00 0.00 C ATOM 1367 C ASN A 88 -3.413 5.343 -6.882 1.00 0.00 C ATOM 1368 O ASN A 88 -3.109 6.320 -7.563 1.00 0.00 O ATOM 1369 CB ASN A 88 -2.930 2.991 -7.490 1.00 0.00 C ATOM 1370 CG ASN A 88 -1.766 2.165 -8.036 1.00 0.00 C ATOM 1371 OD1 ASN A 88 -1.443 2.200 -9.213 1.00 0.00 O ATOM 1372 ND2 ASN A 88 -1.155 1.419 -7.120 1.00 0.00 N ATOM 0 H ASN A 88 -2.524 2.903 -5.041 1.00 0.00 H new ATOM 0 HA ASN A 88 -1.427 4.468 -7.044 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.558 2.366 -6.855 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.554 3.336 -8.314 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -0.366 0.830 -7.386 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -1.476 1.436 -6.152 1.00 0.00 H new ATOM 1379 N TYR A 89 -4.577 5.187 -6.269 1.00 0.00 N ATOM 1380 CA TYR A 89 -5.614 6.200 -6.363 1.00 0.00 C ATOM 1381 C TYR A 89 -5.058 7.586 -6.032 1.00 0.00 C ATOM 1382 O TYR A 89 -5.300 8.547 -6.762 1.00 0.00 O ATOM 1383 CB TYR A 89 -6.667 5.824 -5.320 1.00 0.00 C ATOM 1384 CG TYR A 89 -7.518 7.002 -4.842 1.00 0.00 C ATOM 1385 CD1 TYR A 89 -8.604 7.416 -5.586 1.00 0.00 C ATOM 1386 CD2 TYR A 89 -7.200 7.650 -3.666 1.00 0.00 C ATOM 1387 CE1 TYR A 89 -9.405 8.526 -5.136 1.00 0.00 C ATOM 1388 CE2 TYR A 89 -8.001 8.760 -3.216 1.00 0.00 C ATOM 1389 CZ TYR A 89 -9.064 9.142 -3.973 1.00 0.00 C ATOM 1390 OH TYR A 89 -9.820 10.189 -3.548 1.00 0.00 O ATOM 0 H TYR A 89 -4.825 4.374 -5.705 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.022 6.239 -7.373 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.323 5.062 -5.740 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.168 5.377 -4.460 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.854 6.908 -6.506 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.351 7.325 -3.083 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -10.257 8.861 -5.709 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.762 9.277 -2.298 1.00 0.00 H new ATOM 0 HH TYR A 89 -9.460 10.530 -2.703 1.00 0.00 H new ATOM 1400 N ARG A 90 -4.324 7.647 -4.932 1.00 0.00 N ATOM 1401 CA ARG A 90 -3.731 8.900 -4.495 1.00 0.00 C ATOM 1402 C ARG A 90 -2.921 9.528 -5.630 1.00 0.00 C ATOM 1403 O ARG A 90 -2.817 10.750 -5.721 1.00 0.00 O ATOM 1404 CB ARG A 90 -2.820 8.686 -3.284 1.00 0.00 C ATOM 1405 CG ARG A 90 -3.073 9.748 -2.213 1.00 0.00 C ATOM 1406 CD ARG A 90 -2.269 11.018 -2.498 1.00 0.00 C ATOM 1407 NE ARG A 90 -3.053 12.211 -2.112 1.00 0.00 N ATOM 1408 CZ ARG A 90 -4.033 12.740 -2.859 1.00 0.00 C ATOM 1409 NH1 ARG A 90 -4.354 12.184 -4.034 1.00 0.00 N ATOM 1410 NH2 ARG A 90 -4.692 13.825 -2.429 1.00 0.00 N ATOM 0 H ARG A 90 -4.126 6.849 -4.329 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.543 9.569 -4.210 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.992 7.694 -2.866 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.777 8.723 -3.598 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.136 9.987 -2.177 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.801 9.354 -1.234 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.330 10.995 -1.945 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.014 11.067 -3.557 1.00 0.00 H new ATOM 0 HE ARG A 90 -2.835 12.659 -1.222 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.853 11.358 -4.361 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -5.099 12.587 -4.602 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.448 14.248 -1.534 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -5.437 14.227 -2.997 1.00 0.00 H new ATOM 1424 N LEU A 91 -2.367 8.663 -6.468 1.00 0.00 N ATOM 1425 CA LEU A 91 -1.569 9.119 -7.593 1.00 0.00 C ATOM 1426 C LEU A 91 -2.463 9.243 -8.829 1.00 0.00 C ATOM 1427 O LEU A 91 -1.977 9.193 -9.958 1.00 0.00 O ATOM 1428 CB LEU A 91 -0.360 8.203 -7.798 1.00 0.00 C ATOM 1429 CG LEU A 91 0.444 7.863 -6.542 1.00 0.00 C ATOM 1430 CD1 LEU A 91 1.201 6.546 -6.716 1.00 0.00 C ATOM 1431 CD2 LEU A 91 1.377 9.014 -6.159 1.00 0.00 C ATOM 0 H LEU A 91 -2.455 7.650 -6.390 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.160 10.109 -7.394 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.706 7.272 -8.247 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.310 8.674 -8.518 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.254 7.727 -5.716 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.764 6.328 -5.809 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.491 5.741 -6.905 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.888 6.630 -7.558 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.937 8.746 -5.263 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.072 9.207 -6.977 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.788 9.910 -5.964 1.00 0.00 H new ATOM 1443 N LYS A 92 -3.753 9.402 -8.574 1.00 0.00 N ATOM 1444 CA LYS A 92 -4.719 9.535 -9.651 1.00 0.00 C ATOM 1445 C LYS A 92 -4.542 8.375 -10.633 1.00 0.00 C ATOM 1446 O LYS A 92 -4.934 8.475 -11.794 1.00 0.00 O ATOM 1447 CB LYS A 92 -4.609 10.915 -10.303 1.00 0.00 C ATOM 1448 CG LYS A 92 -3.381 10.995 -11.214 1.00 0.00 C ATOM 1449 CD LYS A 92 -3.572 12.056 -12.299 1.00 0.00 C ATOM 1450 CE LYS A 92 -2.617 11.820 -13.470 1.00 0.00 C ATOM 1451 NZ LYS A 92 -2.729 12.915 -14.460 1.00 0.00 N ATOM 0 H LYS A 92 -4.152 9.442 -7.636 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.735 9.473 -9.262 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -5.510 11.121 -10.882 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.544 11.682 -9.531 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -2.498 11.232 -10.620 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.203 10.024 -11.677 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -4.602 12.036 -12.655 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -3.400 13.047 -11.878 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.592 11.756 -13.104 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.845 10.867 -13.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -2.074 12.739 -15.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -3.703 12.957 -14.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -2.489 13.819 -14.006 1.00 0.00 H new ATOM 1465 N GLU A 93 -3.952 7.301 -10.131 1.00 0.00 N ATOM 1466 CA GLU A 93 -3.718 6.123 -10.949 1.00 0.00 C ATOM 1467 C GLU A 93 -4.958 5.226 -10.953 1.00 0.00 C ATOM 1468 O GLU A 93 -4.851 4.011 -10.789 1.00 0.00 O ATOM 1469 CB GLU A 93 -2.487 5.354 -10.465 1.00 0.00 C ATOM 1470 CG GLU A 93 -1.199 6.075 -10.864 1.00 0.00 C ATOM 1471 CD GLU A 93 -0.390 5.242 -11.860 1.00 0.00 C ATOM 1472 OE1 GLU A 93 -0.922 5.004 -12.966 1.00 0.00 O ATOM 1473 OE2 GLU A 93 0.744 4.863 -11.494 1.00 0.00 O ATOM 0 H GLU A 93 -3.629 7.221 -9.167 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.524 6.447 -11.971 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.526 5.244 -9.381 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.492 4.349 -10.888 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.441 7.042 -11.305 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.598 6.271 -9.976 1.00 0.00 H new ATOM 1480 N TYR A 94 -6.106 5.859 -11.144 1.00 0.00 N ATOM 1481 CA TYR A 94 -7.365 5.133 -11.173 1.00 0.00 C ATOM 1482 C TYR A 94 -7.217 3.809 -11.925 1.00 0.00 C ATOM 1483 O TYR A 94 -7.621 2.759 -11.426 1.00 0.00 O ATOM 1484 CB TYR A 94 -8.350 6.028 -11.928 1.00 0.00 C ATOM 1485 CG TYR A 94 -8.410 7.466 -11.407 1.00 0.00 C ATOM 1486 CD1 TYR A 94 -8.376 7.710 -10.049 1.00 0.00 C ATOM 1487 CD2 TYR A 94 -8.498 8.517 -12.296 1.00 0.00 C ATOM 1488 CE1 TYR A 94 -8.432 9.062 -9.559 1.00 0.00 C ATOM 1489 CE2 TYR A 94 -8.553 9.871 -11.805 1.00 0.00 C ATOM 1490 CZ TYR A 94 -8.518 10.076 -10.461 1.00 0.00 C ATOM 1491 OH TYR A 94 -8.571 11.354 -10.000 1.00 0.00 O ATOM 0 H TYR A 94 -6.191 6.866 -11.280 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.700 4.904 -10.161 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -8.074 6.046 -12.982 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -9.345 5.588 -11.866 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -8.307 6.886 -9.354 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -8.526 8.326 -13.359 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -8.406 9.267 -8.499 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -8.620 10.704 -12.489 1.00 0.00 H new ATOM 0 HH TYR A 94 -9.286 11.839 -10.462 1.00 0.00 H new ATOM 1501 N GLU A 95 -6.638 3.902 -13.112 1.00 0.00 N ATOM 1502 CA GLU A 95 -6.433 2.723 -13.939 1.00 0.00 C ATOM 1503 C GLU A 95 -6.032 1.529 -13.070 1.00 0.00 C ATOM 1504 O GLU A 95 -6.830 0.617 -12.858 1.00 0.00 O ATOM 1505 CB GLU A 95 -5.384 2.989 -15.021 1.00 0.00 C ATOM 1506 CG GLU A 95 -5.910 3.981 -16.061 1.00 0.00 C ATOM 1507 CD GLU A 95 -4.955 4.085 -17.252 1.00 0.00 C ATOM 1508 OE1 GLU A 95 -3.736 4.193 -16.994 1.00 0.00 O ATOM 1509 OE2 GLU A 95 -5.464 4.054 -18.393 1.00 0.00 O ATOM 0 H GLU A 95 -6.304 4.774 -13.522 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.372 2.485 -14.439 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.476 3.383 -14.564 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.115 2.053 -15.510 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.894 3.664 -16.406 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.034 4.962 -15.603 1.00 0.00 H new ATOM 1516 N LYS A 96 -4.798 1.573 -12.592 1.00 0.00 N ATOM 1517 CA LYS A 96 -4.284 0.506 -11.751 1.00 0.00 C ATOM 1518 C LYS A 96 -5.199 0.332 -10.537 1.00 0.00 C ATOM 1519 O LYS A 96 -5.639 -0.777 -10.242 1.00 0.00 O ATOM 1520 CB LYS A 96 -2.821 0.770 -11.386 1.00 0.00 C ATOM 1521 CG LYS A 96 -1.921 0.672 -12.619 1.00 0.00 C ATOM 1522 CD LYS A 96 -0.580 1.365 -12.377 1.00 0.00 C ATOM 1523 CE LYS A 96 0.017 1.879 -13.689 1.00 0.00 C ATOM 1524 NZ LYS A 96 1.435 1.469 -13.808 1.00 0.00 N ATOM 0 H LYS A 96 -4.139 2.331 -12.771 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.289 -0.441 -12.291 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -2.727 1.760 -10.941 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.494 0.051 -10.635 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.753 -0.376 -12.868 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -2.420 1.127 -13.475 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -0.716 2.196 -11.685 1.00 0.00 H new ATOM 0 HD3 LYS A 96 0.114 0.668 -11.906 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.553 1.489 -14.532 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.058 2.966 -13.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 1.825 1.826 -14.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.978 1.862 -13.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.499 0.431 -13.791 1.00 0.00 H new ATOM 1538 N ALA A 97 -5.456 1.445 -9.866 1.00 0.00 N ATOM 1539 CA ALA A 97 -6.311 1.429 -8.691 1.00 0.00 C ATOM 1540 C ALA A 97 -7.475 0.465 -8.925 1.00 0.00 C ATOM 1541 O ALA A 97 -7.527 -0.608 -8.327 1.00 0.00 O ATOM 1542 CB ALA A 97 -6.783 2.852 -8.385 1.00 0.00 C ATOM 0 H ALA A 97 -5.087 2.363 -10.113 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.761 1.074 -7.820 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -7.424 2.841 -7.504 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.919 3.489 -8.197 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.342 3.241 -9.236 1.00 0.00 H new ATOM 1548 N LEU A 98 -8.382 0.883 -9.797 1.00 0.00 N ATOM 1549 CA LEU A 98 -9.542 0.070 -10.118 1.00 0.00 C ATOM 1550 C LEU A 98 -9.087 -1.353 -10.445 1.00 0.00 C ATOM 1551 O LEU A 98 -9.458 -2.301 -9.755 1.00 0.00 O ATOM 1552 CB LEU A 98 -10.364 0.725 -11.230 1.00 0.00 C ATOM 1553 CG LEU A 98 -11.603 1.502 -10.780 1.00 0.00 C ATOM 1554 CD1 LEU A 98 -12.102 2.429 -11.890 1.00 0.00 C ATOM 1555 CD2 LEU A 98 -12.698 0.551 -10.292 1.00 0.00 C ATOM 0 H LEU A 98 -8.336 1.774 -10.291 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.209 0.002 -9.259 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.715 1.404 -11.783 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.680 -0.052 -11.927 1.00 0.00 H new ATOM 0 HG LEU A 98 -11.323 2.132 -9.936 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -12.983 2.969 -11.544 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -11.318 3.141 -12.149 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -12.360 1.838 -12.769 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -13.568 1.128 -9.978 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -12.982 -0.122 -11.101 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -12.325 -0.031 -9.449 1.00 0.00 H new ATOM 1567 N LYS A 99 -8.291 -1.458 -11.498 1.00 0.00 N ATOM 1568 CA LYS A 99 -7.782 -2.750 -11.927 1.00 0.00 C ATOM 1569 C LYS A 99 -7.465 -3.601 -10.696 1.00 0.00 C ATOM 1570 O LYS A 99 -7.602 -4.823 -10.730 1.00 0.00 O ATOM 1571 CB LYS A 99 -6.592 -2.571 -12.872 1.00 0.00 C ATOM 1572 CG LYS A 99 -6.951 -3.009 -14.293 1.00 0.00 C ATOM 1573 CD LYS A 99 -7.948 -2.040 -14.931 1.00 0.00 C ATOM 1574 CE LYS A 99 -9.266 -2.744 -15.258 1.00 0.00 C ATOM 1575 NZ LYS A 99 -10.365 -1.760 -15.376 1.00 0.00 N ATOM 0 H LYS A 99 -7.985 -0.669 -12.068 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.538 -3.285 -12.501 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.281 -1.526 -12.877 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.745 -3.154 -12.511 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.048 -3.059 -14.901 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.377 -4.012 -14.271 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -8.135 -1.207 -14.253 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.520 -1.620 -15.842 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.166 -3.300 -16.190 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -9.501 -3.469 -14.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.252 -2.255 -15.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -10.470 -1.248 -14.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -10.146 -1.084 -16.136 1.00 0.00 H new ATOM 1589 N TYR A 100 -7.051 -2.922 -9.636 1.00 0.00 N ATOM 1590 CA TYR A 100 -6.714 -3.601 -8.397 1.00 0.00 C ATOM 1591 C TYR A 100 -7.944 -3.745 -7.498 1.00 0.00 C ATOM 1592 O TYR A 100 -8.166 -4.800 -6.907 1.00 0.00 O ATOM 1593 CB TYR A 100 -5.685 -2.712 -7.695 1.00 0.00 C ATOM 1594 CG TYR A 100 -4.266 -3.286 -7.692 1.00 0.00 C ATOM 1595 CD1 TYR A 100 -4.072 -4.645 -7.557 1.00 0.00 C ATOM 1596 CD2 TYR A 100 -3.182 -2.444 -7.822 1.00 0.00 C ATOM 1597 CE1 TYR A 100 -2.737 -5.185 -7.554 1.00 0.00 C ATOM 1598 CE2 TYR A 100 -1.847 -2.982 -7.819 1.00 0.00 C ATOM 1599 CZ TYR A 100 -1.690 -4.326 -7.685 1.00 0.00 C ATOM 1600 OH TYR A 100 -0.428 -4.836 -7.683 1.00 0.00 O ATOM 0 H TYR A 100 -6.941 -1.908 -9.610 1.00 0.00 H new ATOM 0 HA TYR A 100 -6.333 -4.602 -8.600 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -5.670 -1.737 -8.181 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -6.003 -2.550 -6.665 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -4.921 -5.304 -7.454 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -3.335 -1.380 -7.926 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -2.571 -6.247 -7.450 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -0.990 -2.333 -7.921 1.00 0.00 H new ATOM 0 HH TYR A 100 0.068 -4.485 -8.452 1.00 0.00 H new ATOM 1610 N VAL A 101 -8.712 -2.668 -7.425 1.00 0.00 N ATOM 1611 CA VAL A 101 -9.914 -2.660 -6.609 1.00 0.00 C ATOM 1612 C VAL A 101 -10.918 -3.664 -7.179 1.00 0.00 C ATOM 1613 O VAL A 101 -11.488 -4.465 -6.439 1.00 0.00 O ATOM 1614 CB VAL A 101 -10.476 -1.239 -6.518 1.00 0.00 C ATOM 1615 CG1 VAL A 101 -11.919 -1.186 -7.023 1.00 0.00 C ATOM 1616 CG2 VAL A 101 -10.375 -0.700 -5.090 1.00 0.00 C ATOM 0 H VAL A 101 -8.525 -1.795 -7.918 1.00 0.00 H new ATOM 0 HA VAL A 101 -9.686 -2.971 -5.589 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.873 -0.599 -7.161 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -12.294 -0.165 -6.947 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -11.952 -1.509 -8.064 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -12.541 -1.846 -6.418 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.781 0.311 -5.053 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.942 -1.344 -4.417 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.330 -0.683 -4.781 1.00 0.00 H new ATOM 1626 N ARG A 102 -11.105 -3.588 -8.488 1.00 0.00 N ATOM 1627 CA ARG A 102 -12.031 -4.480 -9.165 1.00 0.00 C ATOM 1628 C ARG A 102 -11.577 -5.933 -9.008 1.00 0.00 C ATOM 1629 O ARG A 102 -12.401 -6.847 -9.003 1.00 0.00 O ATOM 1630 CB ARG A 102 -12.131 -4.143 -10.654 1.00 0.00 C ATOM 1631 CG ARG A 102 -12.468 -2.665 -10.860 1.00 0.00 C ATOM 1632 CD ARG A 102 -13.873 -2.346 -10.345 1.00 0.00 C ATOM 1633 NE ARG A 102 -14.814 -2.231 -11.482 1.00 0.00 N ATOM 1634 CZ ARG A 102 -16.148 -2.235 -11.356 1.00 0.00 C ATOM 1635 NH1 ARG A 102 -16.707 -2.346 -10.143 1.00 0.00 N ATOM 1636 NH2 ARG A 102 -16.925 -2.126 -12.443 1.00 0.00 N ATOM 0 H ARG A 102 -10.631 -2.922 -9.098 1.00 0.00 H new ATOM 0 HA ARG A 102 -13.012 -4.350 -8.708 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -11.188 -4.377 -11.148 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -12.897 -4.763 -11.120 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -11.737 -2.046 -10.340 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -12.400 -2.417 -11.919 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -14.206 -3.129 -9.664 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -13.859 -1.415 -9.778 1.00 0.00 H new ATOM 0 HE ARG A 102 -14.422 -2.143 -12.420 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -16.117 -2.427 -9.315 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -17.723 -2.349 -10.048 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -16.501 -2.040 -13.367 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -17.940 -2.129 -12.346 1.00 0.00 H new ATOM 1650 N GLY A 103 -10.269 -6.102 -8.882 1.00 0.00 N ATOM 1651 CA GLY A 103 -9.697 -7.428 -8.725 1.00 0.00 C ATOM 1652 C GLY A 103 -9.665 -7.841 -7.252 1.00 0.00 C ATOM 1653 O GLY A 103 -9.202 -8.930 -6.919 1.00 0.00 O ATOM 0 H GLY A 103 -9.589 -5.342 -8.885 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -10.281 -8.150 -9.296 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -8.686 -7.442 -9.132 1.00 0.00 H new ATOM 1657 N LEU A 104 -10.164 -6.948 -6.410 1.00 0.00 N ATOM 1658 CA LEU A 104 -10.198 -7.205 -4.981 1.00 0.00 C ATOM 1659 C LEU A 104 -11.641 -7.473 -4.549 1.00 0.00 C ATOM 1660 O LEU A 104 -11.917 -8.463 -3.873 1.00 0.00 O ATOM 1661 CB LEU A 104 -9.530 -6.062 -4.215 1.00 0.00 C ATOM 1662 CG LEU A 104 -9.474 -6.217 -2.693 1.00 0.00 C ATOM 1663 CD1 LEU A 104 -10.786 -5.768 -2.048 1.00 0.00 C ATOM 1664 CD2 LEU A 104 -9.102 -7.648 -2.301 1.00 0.00 C ATOM 0 H LEU A 104 -10.548 -6.046 -6.690 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.622 -8.099 -4.741 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.512 -5.948 -4.587 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -10.059 -5.138 -4.447 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.688 -5.565 -2.312 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.720 -5.888 -0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -10.968 -4.720 -2.286 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.606 -6.375 -2.431 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.069 -7.731 -1.215 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.847 -8.339 -2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.124 -7.896 -2.713 1.00 0.00 H new ATOM 1676 N LEU A 105 -12.524 -6.574 -4.958 1.00 0.00 N ATOM 1677 CA LEU A 105 -13.932 -6.701 -4.624 1.00 0.00 C ATOM 1678 C LEU A 105 -14.400 -8.123 -4.937 1.00 0.00 C ATOM 1679 O LEU A 105 -15.340 -8.622 -4.319 1.00 0.00 O ATOM 1680 CB LEU A 105 -14.750 -5.615 -5.326 1.00 0.00 C ATOM 1681 CG LEU A 105 -14.816 -4.261 -4.618 1.00 0.00 C ATOM 1682 CD1 LEU A 105 -15.691 -4.339 -3.365 1.00 0.00 C ATOM 1683 CD2 LEU A 105 -13.413 -3.737 -4.305 1.00 0.00 C ATOM 0 H LEU A 105 -12.291 -5.754 -5.518 1.00 0.00 H new ATOM 0 HA LEU A 105 -14.086 -6.543 -3.557 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -14.334 -5.462 -6.322 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -15.767 -5.983 -5.458 1.00 0.00 H new ATOM 0 HG LEU A 105 -15.284 -3.545 -5.294 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -15.721 -3.363 -2.881 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -16.702 -4.636 -3.645 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -15.275 -5.073 -2.676 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -13.488 -2.773 -3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -12.896 -4.445 -3.657 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -12.853 -3.619 -5.233 1.00 0.00 H new ATOM 1695 N GLN A 106 -13.724 -8.737 -5.896 1.00 0.00 N ATOM 1696 CA GLN A 106 -14.059 -10.092 -6.300 1.00 0.00 C ATOM 1697 C GLN A 106 -14.205 -10.991 -5.070 1.00 0.00 C ATOM 1698 O GLN A 106 -15.304 -11.444 -4.755 1.00 0.00 O ATOM 1699 CB GLN A 106 -13.012 -10.651 -7.265 1.00 0.00 C ATOM 1700 CG GLN A 106 -13.641 -10.989 -8.619 1.00 0.00 C ATOM 1701 CD GLN A 106 -13.615 -12.497 -8.876 1.00 0.00 C ATOM 1702 OE1 GLN A 106 -14.175 -13.287 -8.134 1.00 0.00 O ATOM 1703 NE2 GLN A 106 -12.938 -12.848 -9.964 1.00 0.00 N ATOM 0 H GLN A 106 -12.945 -8.321 -6.406 1.00 0.00 H new ATOM 0 HA GLN A 106 -15.014 -10.068 -6.825 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -12.213 -9.922 -7.403 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -12.558 -11.545 -6.837 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -14.670 -10.630 -8.646 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -13.102 -10.472 -9.413 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -12.493 -12.134 -10.541 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -12.863 -13.832 -10.223 1.00 0.00 H new ATOM 1712 N THR A 107 -13.080 -11.221 -4.408 1.00 0.00 N ATOM 1713 CA THR A 107 -13.069 -12.058 -3.219 1.00 0.00 C ATOM 1714 C THR A 107 -13.537 -11.259 -2.001 1.00 0.00 C ATOM 1715 O THR A 107 -13.617 -11.794 -0.897 1.00 0.00 O ATOM 1716 CB THR A 107 -11.663 -12.637 -3.062 1.00 0.00 C ATOM 1717 OG1 THR A 107 -11.885 -13.974 -2.623 1.00 0.00 O ATOM 1718 CG2 THR A 107 -10.889 -11.991 -1.911 1.00 0.00 C ATOM 0 H THR A 107 -12.170 -10.843 -4.672 1.00 0.00 H new ATOM 0 HA THR A 107 -13.769 -12.888 -3.313 1.00 0.00 H new ATOM 0 HB THR A 107 -11.110 -12.503 -3.992 1.00 0.00 H new ATOM 0 HG1 THR A 107 -11.024 -14.424 -2.497 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.897 -12.438 -1.843 1.00 0.00 H new ATOM 0 HG22 THR A 107 -10.793 -10.921 -2.093 1.00 0.00 H new ATOM 0 HG23 THR A 107 -11.425 -12.153 -0.976 1.00 0.00 H new ATOM 1726 N GLU A 108 -13.834 -9.991 -2.243 1.00 0.00 N ATOM 1727 CA GLU A 108 -14.292 -9.113 -1.179 1.00 0.00 C ATOM 1728 C GLU A 108 -15.403 -8.193 -1.691 1.00 0.00 C ATOM 1729 O GLU A 108 -15.244 -6.973 -1.711 1.00 0.00 O ATOM 1730 CB GLU A 108 -13.132 -8.301 -0.600 1.00 0.00 C ATOM 1731 CG GLU A 108 -11.932 -9.201 -0.296 1.00 0.00 C ATOM 1732 CD GLU A 108 -11.143 -8.675 0.904 1.00 0.00 C ATOM 1733 OE1 GLU A 108 -11.085 -7.434 1.046 1.00 0.00 O ATOM 1734 OE2 GLU A 108 -10.616 -9.526 1.654 1.00 0.00 O ATOM 0 H GLU A 108 -13.767 -9.550 -3.160 1.00 0.00 H new ATOM 0 HA GLU A 108 -14.697 -9.729 -0.376 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.839 -7.524 -1.306 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.454 -7.798 0.312 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -12.276 -10.215 -0.094 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.281 -9.253 -1.169 1.00 0.00 H new ATOM 1741 N PRO A 109 -16.532 -8.830 -2.104 1.00 0.00 N ATOM 1742 CA PRO A 109 -17.667 -8.082 -2.616 1.00 0.00 C ATOM 1743 C PRO A 109 -18.430 -7.397 -1.479 1.00 0.00 C ATOM 1744 O PRO A 109 -19.061 -6.362 -1.686 1.00 0.00 O ATOM 1745 CB PRO A 109 -18.509 -9.105 -3.361 1.00 0.00 C ATOM 1746 CG PRO A 109 -18.060 -10.465 -2.851 1.00 0.00 C ATOM 1747 CD PRO A 109 -16.754 -10.273 -2.097 1.00 0.00 C ATOM 0 HA PRO A 109 -17.370 -7.270 -3.279 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -19.571 -8.948 -3.173 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -18.361 -9.023 -4.438 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -18.818 -10.897 -2.197 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -17.923 -11.158 -3.681 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -16.824 -10.658 -1.080 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -15.934 -10.802 -2.583 1.00 0.00 H new ATOM 1755 N GLN A 110 -18.344 -8.002 -0.303 1.00 0.00 N ATOM 1756 CA GLN A 110 -19.016 -7.463 0.867 1.00 0.00 C ATOM 1757 C GLN A 110 -18.213 -6.299 1.452 1.00 0.00 C ATOM 1758 O GLN A 110 -18.788 -5.328 1.939 1.00 0.00 O ATOM 1759 CB GLN A 110 -19.247 -8.552 1.917 1.00 0.00 C ATOM 1760 CG GLN A 110 -17.919 -9.100 2.441 1.00 0.00 C ATOM 1761 CD GLN A 110 -18.140 -10.010 3.649 1.00 0.00 C ATOM 1762 OE1 GLN A 110 -18.920 -10.949 3.618 1.00 0.00 O ATOM 1763 NE2 GLN A 110 -17.413 -9.683 4.714 1.00 0.00 N ATOM 0 H GLN A 110 -17.819 -8.860 -0.136 1.00 0.00 H new ATOM 0 HA GLN A 110 -19.992 -7.087 0.560 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -19.829 -8.146 2.745 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -19.833 -9.362 1.483 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -17.414 -9.655 1.651 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -17.265 -8.274 2.719 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -16.779 -8.885 4.673 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -17.489 -10.230 5.571 1.00 0.00 H new ATOM 1772 N ASN A 111 -16.897 -6.437 1.384 1.00 0.00 N ATOM 1773 CA ASN A 111 -16.009 -5.409 1.901 1.00 0.00 C ATOM 1774 C ASN A 111 -16.510 -4.035 1.451 1.00 0.00 C ATOM 1775 O ASN A 111 -16.467 -3.714 0.264 1.00 0.00 O ATOM 1776 CB ASN A 111 -14.587 -5.592 1.369 1.00 0.00 C ATOM 1777 CG ASN A 111 -13.668 -4.474 1.866 1.00 0.00 C ATOM 1778 OD1 ASN A 111 -14.106 -3.415 2.283 1.00 0.00 O ATOM 1779 ND2 ASN A 111 -12.373 -4.768 1.800 1.00 0.00 N ATOM 0 H ASN A 111 -16.424 -7.245 0.979 1.00 0.00 H new ATOM 0 HA ASN A 111 -16.000 -5.486 2.988 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -14.197 -6.558 1.689 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -14.601 -5.599 0.279 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -11.679 -4.087 2.109 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -12.073 -5.674 1.440 1.00 0.00 H new ATOM 1786 N ASN A 112 -16.974 -3.263 2.421 1.00 0.00 N ATOM 1787 CA ASN A 112 -17.483 -1.931 2.140 1.00 0.00 C ATOM 1788 C ASN A 112 -16.327 -1.032 1.694 1.00 0.00 C ATOM 1789 O ASN A 112 -16.371 -0.448 0.613 1.00 0.00 O ATOM 1790 CB ASN A 112 -18.113 -1.307 3.386 1.00 0.00 C ATOM 1791 CG ASN A 112 -19.075 -2.287 4.062 1.00 0.00 C ATOM 1792 OD1 ASN A 112 -19.463 -3.300 3.505 1.00 0.00 O ATOM 1793 ND2 ASN A 112 -19.436 -1.928 5.291 1.00 0.00 N ATOM 0 H ASN A 112 -17.009 -3.534 3.404 1.00 0.00 H new ATOM 0 HA ASN A 112 -18.239 -2.017 1.359 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -17.331 -1.017 4.087 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -18.648 -0.398 3.111 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -20.076 -2.515 5.827 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -19.073 -1.066 5.698 1.00 0.00 H new ATOM 1800 N GLN A 113 -15.319 -0.950 2.551 1.00 0.00 N ATOM 1801 CA GLN A 113 -14.155 -0.132 2.260 1.00 0.00 C ATOM 1802 C GLN A 113 -13.790 -0.236 0.778 1.00 0.00 C ATOM 1803 O GLN A 113 -13.629 0.779 0.102 1.00 0.00 O ATOM 1804 CB GLN A 113 -12.971 -0.529 3.145 1.00 0.00 C ATOM 1805 CG GLN A 113 -13.245 -0.190 4.611 1.00 0.00 C ATOM 1806 CD GLN A 113 -12.865 -1.358 5.525 1.00 0.00 C ATOM 1807 OE1 GLN A 113 -11.713 -1.561 5.869 1.00 0.00 O ATOM 1808 NE2 GLN A 113 -13.897 -2.112 5.895 1.00 0.00 N ATOM 0 H GLN A 113 -15.285 -1.437 3.447 1.00 0.00 H new ATOM 0 HA GLN A 113 -14.401 0.907 2.482 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -12.779 -1.597 3.045 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -12.072 -0.011 2.810 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -12.679 0.697 4.895 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -14.300 0.050 4.741 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -14.837 -1.885 5.570 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -13.748 -2.917 6.504 1.00 0.00 H new ATOM 1817 N ALA A 114 -13.670 -1.472 0.316 1.00 0.00 N ATOM 1818 CA ALA A 114 -13.328 -1.722 -1.074 1.00 0.00 C ATOM 1819 C ALA A 114 -14.413 -1.131 -1.977 1.00 0.00 C ATOM 1820 O ALA A 114 -14.109 -0.480 -2.974 1.00 0.00 O ATOM 1821 CB ALA A 114 -13.144 -3.225 -1.293 1.00 0.00 C ATOM 0 H ALA A 114 -13.804 -2.311 0.880 1.00 0.00 H new ATOM 0 HA ALA A 114 -12.386 -1.237 -1.329 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -12.888 -3.412 -2.336 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -12.343 -3.591 -0.651 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -14.071 -3.744 -1.049 1.00 0.00 H new ATOM 1827 N LYS A 115 -15.657 -1.378 -1.592 1.00 0.00 N ATOM 1828 CA LYS A 115 -16.789 -0.878 -2.353 1.00 0.00 C ATOM 1829 C LYS A 115 -16.640 0.632 -2.549 1.00 0.00 C ATOM 1830 O LYS A 115 -16.677 1.122 -3.676 1.00 0.00 O ATOM 1831 CB LYS A 115 -18.105 -1.285 -1.687 1.00 0.00 C ATOM 1832 CG LYS A 115 -18.591 -2.637 -2.214 1.00 0.00 C ATOM 1833 CD LYS A 115 -20.065 -2.862 -1.870 1.00 0.00 C ATOM 1834 CE LYS A 115 -20.938 -2.792 -3.124 1.00 0.00 C ATOM 1835 NZ LYS A 115 -22.354 -2.568 -2.758 1.00 0.00 N ATOM 0 H LYS A 115 -15.905 -1.918 -0.763 1.00 0.00 H new ATOM 0 HA LYS A 115 -16.809 -1.328 -3.346 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -17.969 -1.339 -0.607 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -18.862 -0.524 -1.875 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -18.455 -2.680 -3.295 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -17.988 -3.437 -1.785 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -20.186 -3.834 -1.392 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -20.393 -2.111 -1.152 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -20.592 -1.986 -3.771 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -20.845 -3.718 -3.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -22.933 -2.523 -3.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -22.686 -3.351 -2.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -22.440 -1.672 -2.236 1.00 0.00 H new ATOM 1849 N GLU A 116 -16.474 1.327 -1.433 1.00 0.00 N ATOM 1850 CA GLU A 116 -16.320 2.772 -1.468 1.00 0.00 C ATOM 1851 C GLU A 116 -15.250 3.167 -2.489 1.00 0.00 C ATOM 1852 O GLU A 116 -15.545 3.854 -3.466 1.00 0.00 O ATOM 1853 CB GLU A 116 -15.981 3.319 -0.080 1.00 0.00 C ATOM 1854 CG GLU A 116 -17.248 3.743 0.667 1.00 0.00 C ATOM 1855 CD GLU A 116 -17.844 5.014 0.059 1.00 0.00 C ATOM 1856 OE1 GLU A 116 -17.587 5.242 -1.143 1.00 0.00 O ATOM 1857 OE2 GLU A 116 -18.542 5.728 0.809 1.00 0.00 O ATOM 0 H GLU A 116 -16.443 0.917 -0.500 1.00 0.00 H new ATOM 0 HA GLU A 116 -17.268 3.213 -1.776 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -15.453 2.559 0.495 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -15.308 4.171 -0.175 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -17.983 2.939 0.630 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -17.015 3.913 1.718 1.00 0.00 H new ATOM 1864 N LEU A 117 -14.032 2.716 -2.228 1.00 0.00 N ATOM 1865 CA LEU A 117 -12.919 3.014 -3.113 1.00 0.00 C ATOM 1866 C LEU A 117 -13.386 2.912 -4.565 1.00 0.00 C ATOM 1867 O LEU A 117 -13.346 3.894 -5.304 1.00 0.00 O ATOM 1868 CB LEU A 117 -11.722 2.118 -2.788 1.00 0.00 C ATOM 1869 CG LEU A 117 -10.367 2.820 -2.683 1.00 0.00 C ATOM 1870 CD1 LEU A 117 -9.231 1.885 -3.104 1.00 0.00 C ATOM 1871 CD2 LEU A 117 -10.363 4.123 -3.485 1.00 0.00 C ATOM 0 H LEU A 117 -13.791 2.147 -1.417 1.00 0.00 H new ATOM 0 HA LEU A 117 -12.574 4.037 -2.960 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -11.920 1.610 -1.844 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -11.651 1.348 -3.556 1.00 0.00 H new ATOM 0 HG LEU A 117 -10.197 3.083 -1.639 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -8.279 2.409 -3.020 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -9.222 1.009 -2.456 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -9.382 1.571 -4.137 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -9.389 4.603 -3.394 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -10.564 3.905 -4.534 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -11.134 4.790 -3.099 1.00 0.00 H new ATOM 1883 N GLU A 118 -13.819 1.715 -4.933 1.00 0.00 N ATOM 1884 CA GLU A 118 -14.294 1.472 -6.284 1.00 0.00 C ATOM 1885 C GLU A 118 -15.230 2.598 -6.728 1.00 0.00 C ATOM 1886 O GLU A 118 -15.222 2.995 -7.892 1.00 0.00 O ATOM 1887 CB GLU A 118 -14.984 0.111 -6.386 1.00 0.00 C ATOM 1888 CG GLU A 118 -15.850 0.029 -7.646 1.00 0.00 C ATOM 1889 CD GLU A 118 -17.324 0.273 -7.314 1.00 0.00 C ATOM 1890 OE1 GLU A 118 -17.756 -0.224 -6.251 1.00 0.00 O ATOM 1891 OE2 GLU A 118 -17.984 0.950 -8.130 1.00 0.00 O ATOM 0 H GLU A 118 -13.851 0.902 -4.318 1.00 0.00 H new ATOM 0 HA GLU A 118 -13.434 1.456 -6.954 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -14.235 -0.680 -6.403 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -15.602 -0.054 -5.504 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -15.510 0.766 -8.374 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -15.735 -0.952 -8.108 1.00 0.00 H new ATOM 1898 N ARG A 119 -16.016 3.080 -5.776 1.00 0.00 N ATOM 1899 CA ARG A 119 -16.957 4.152 -6.054 1.00 0.00 C ATOM 1900 C ARG A 119 -16.240 5.502 -6.052 1.00 0.00 C ATOM 1901 O ARG A 119 -16.582 6.393 -6.829 1.00 0.00 O ATOM 1902 CB ARG A 119 -18.083 4.178 -5.019 1.00 0.00 C ATOM 1903 CG ARG A 119 -18.572 5.608 -4.777 1.00 0.00 C ATOM 1904 CD ARG A 119 -19.283 6.160 -6.015 1.00 0.00 C ATOM 1905 NE ARG A 119 -20.602 6.713 -5.635 1.00 0.00 N ATOM 1906 CZ ARG A 119 -21.674 5.966 -5.342 1.00 0.00 C ATOM 1907 NH1 ARG A 119 -21.590 4.629 -5.384 1.00 0.00 N ATOM 1908 NH2 ARG A 119 -22.831 6.555 -5.009 1.00 0.00 N ATOM 0 H ARG A 119 -16.020 2.748 -4.812 1.00 0.00 H new ATOM 0 HA ARG A 119 -17.388 3.968 -7.038 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -18.912 3.560 -5.363 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -17.731 3.747 -4.082 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -19.252 5.625 -3.925 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -17.727 6.247 -4.523 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -18.674 6.936 -6.479 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -19.410 5.369 -6.755 1.00 0.00 H new ATOM 0 HE ARG A 119 -20.701 7.727 -5.594 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -20.710 4.181 -5.639 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -22.406 4.059 -5.161 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -22.895 7.573 -4.979 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -23.647 5.986 -4.786 1.00 0.00 H new ATOM 1922 N LEU A 120 -15.256 5.612 -5.170 1.00 0.00 N ATOM 1923 CA LEU A 120 -14.486 6.840 -5.058 1.00 0.00 C ATOM 1924 C LEU A 120 -13.806 7.136 -6.395 1.00 0.00 C ATOM 1925 O LEU A 120 -14.125 8.126 -7.052 1.00 0.00 O ATOM 1926 CB LEU A 120 -13.515 6.756 -3.878 1.00 0.00 C ATOM 1927 CG LEU A 120 -14.148 6.758 -2.486 1.00 0.00 C ATOM 1928 CD1 LEU A 120 -13.175 6.208 -1.440 1.00 0.00 C ATOM 1929 CD2 LEU A 120 -14.656 8.154 -2.117 1.00 0.00 C ATOM 0 H LEU A 120 -14.975 4.872 -4.527 1.00 0.00 H new ATOM 0 HA LEU A 120 -15.142 7.683 -4.842 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -12.923 5.847 -3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -12.823 7.596 -3.942 1.00 0.00 H new ATOM 0 HG LEU A 120 -15.012 6.094 -2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -13.650 6.220 -0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -12.903 5.185 -1.699 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -12.278 6.827 -1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -15.102 8.128 -1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -13.824 8.858 -2.123 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -15.405 8.472 -2.842 1.00 0.00 H new ATOM 1941 N ILE A 121 -12.882 6.259 -6.760 1.00 0.00 N ATOM 1942 CA ILE A 121 -12.154 6.414 -8.008 1.00 0.00 C ATOM 1943 C ILE A 121 -13.145 6.690 -9.140 1.00 0.00 C ATOM 1944 O ILE A 121 -12.790 7.301 -10.147 1.00 0.00 O ATOM 1945 CB ILE A 121 -11.256 5.201 -8.258 1.00 0.00 C ATOM 1946 CG1 ILE A 121 -10.269 5.002 -7.106 1.00 0.00 C ATOM 1947 CG2 ILE A 121 -10.545 5.315 -9.608 1.00 0.00 C ATOM 1948 CD1 ILE A 121 -10.378 3.590 -6.529 1.00 0.00 C ATOM 0 H ILE A 121 -12.621 5.439 -6.213 1.00 0.00 H new ATOM 0 HA ILE A 121 -11.484 7.272 -7.955 1.00 0.00 H new ATOM 0 HB ILE A 121 -11.886 4.312 -8.299 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -9.253 5.177 -7.459 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -10.465 5.735 -6.323 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -9.913 4.440 -9.761 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -11.286 5.372 -10.406 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -9.929 6.214 -9.620 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -9.666 3.475 -5.712 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -11.389 3.427 -6.155 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -10.157 2.860 -7.308 1.00 0.00 H new ATOM 1960 N ASP A 122 -14.370 6.225 -8.938 1.00 0.00 N ATOM 1961 CA ASP A 122 -15.414 6.414 -9.930 1.00 0.00 C ATOM 1962 C ASP A 122 -15.548 7.905 -10.247 1.00 0.00 C ATOM 1963 O ASP A 122 -15.633 8.290 -11.411 1.00 0.00 O ATOM 1964 CB ASP A 122 -16.765 5.919 -9.408 1.00 0.00 C ATOM 1965 CG ASP A 122 -17.692 5.327 -10.471 1.00 0.00 C ATOM 1966 OD1 ASP A 122 -17.196 5.109 -11.599 1.00 0.00 O ATOM 1967 OD2 ASP A 122 -18.874 5.103 -10.134 1.00 0.00 O ATOM 0 H ASP A 122 -14.662 5.718 -8.102 1.00 0.00 H new ATOM 0 HA ASP A 122 -15.140 5.847 -10.820 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -16.587 5.164 -8.642 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -17.277 6.750 -8.924 1.00 0.00 H new ATOM 1972 N LYS A 123 -15.562 8.703 -9.188 1.00 0.00 N ATOM 1973 CA LYS A 123 -15.684 10.143 -9.340 1.00 0.00 C ATOM 1974 C LYS A 123 -14.295 10.749 -9.548 1.00 0.00 C ATOM 1975 O LYS A 123 -14.124 11.654 -10.364 1.00 0.00 O ATOM 1976 CB LYS A 123 -16.445 10.743 -8.155 1.00 0.00 C ATOM 1977 CG LYS A 123 -17.394 11.851 -8.618 1.00 0.00 C ATOM 1978 CD LYS A 123 -18.688 11.841 -7.802 1.00 0.00 C ATOM 1979 CE LYS A 123 -19.775 12.672 -8.489 1.00 0.00 C ATOM 1980 NZ LYS A 123 -20.807 13.083 -7.511 1.00 0.00 N ATOM 0 H LYS A 123 -15.491 8.380 -8.223 1.00 0.00 H new ATOM 0 HA LYS A 123 -16.273 10.385 -10.225 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -17.012 9.962 -7.649 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -15.738 11.145 -7.429 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -16.904 12.820 -8.518 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -17.625 11.719 -9.675 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -19.035 10.815 -7.675 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -18.497 12.238 -6.805 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -19.330 13.554 -8.950 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -20.234 12.091 -9.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -21.537 13.646 -7.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -21.243 12.238 -7.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -20.367 13.655 -6.762 1.00 0.00 H new ATOM 1994 N ALA A 124 -13.337 10.225 -8.796 1.00 0.00 N ATOM 1995 CA ALA A 124 -11.968 10.703 -8.889 1.00 0.00 C ATOM 1996 C ALA A 124 -11.622 10.966 -10.356 1.00 0.00 C ATOM 1997 O ALA A 124 -10.899 11.911 -10.667 1.00 0.00 O ATOM 1998 CB ALA A 124 -11.027 9.686 -8.240 1.00 0.00 C ATOM 0 H ALA A 124 -13.482 9.475 -8.120 1.00 0.00 H new ATOM 0 HA ALA A 124 -11.852 11.644 -8.350 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -10.000 10.044 -8.310 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -11.296 9.558 -7.192 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -11.113 8.730 -8.756 1.00 0.00 H new ATOM 2004 N MET A 125 -12.153 10.111 -11.218 1.00 0.00 N ATOM 2005 CA MET A 125 -11.909 10.239 -12.644 1.00 0.00 C ATOM 2006 C MET A 125 -12.697 11.413 -13.232 1.00 0.00 C ATOM 2007 O MET A 125 -12.124 12.289 -13.877 1.00 0.00 O ATOM 2008 CB MET A 125 -12.318 8.945 -13.350 1.00 0.00 C ATOM 2009 CG MET A 125 -11.553 7.747 -12.784 1.00 0.00 C ATOM 2010 SD MET A 125 -10.646 6.930 -14.086 1.00 0.00 S ATOM 2011 CE MET A 125 -10.930 5.226 -13.641 1.00 0.00 C ATOM 0 H MET A 125 -12.751 9.327 -10.956 1.00 0.00 H new ATOM 0 HA MET A 125 -10.846 10.426 -12.797 1.00 0.00 H new ATOM 0 HB2 MET A 125 -13.390 8.785 -13.232 1.00 0.00 H new ATOM 0 HB3 MET A 125 -12.124 9.033 -14.419 1.00 0.00 H new ATOM 0 HG2 MET A 125 -10.867 8.079 -12.005 1.00 0.00 H new ATOM 0 HG3 MET A 125 -12.248 7.048 -12.320 1.00 0.00 H new ATOM 0 HE1 MET A 125 -9.988 4.679 -13.674 1.00 0.00 H new ATOM 0 HE2 MET A 125 -11.343 5.177 -12.633 1.00 0.00 H new ATOM 0 HE3 MET A 125 -11.634 4.779 -14.343 1.00 0.00 H new ATOM 2021 N LYS A 126 -14.000 11.390 -12.989 1.00 0.00 N ATOM 2022 CA LYS A 126 -14.872 12.439 -13.487 1.00 0.00 C ATOM 2023 C LYS A 126 -14.955 13.562 -12.449 1.00 0.00 C ATOM 2024 O LYS A 126 -16.042 14.046 -12.140 1.00 0.00 O ATOM 2025 CB LYS A 126 -16.234 11.864 -13.879 1.00 0.00 C ATOM 2026 CG LYS A 126 -16.350 11.719 -15.399 1.00 0.00 C ATOM 2027 CD LYS A 126 -17.643 12.356 -15.913 1.00 0.00 C ATOM 2028 CE LYS A 126 -18.472 11.347 -16.709 1.00 0.00 C ATOM 2029 NZ LYS A 126 -19.570 10.806 -15.877 1.00 0.00 N ATOM 0 H LYS A 126 -14.472 10.661 -12.454 1.00 0.00 H new ATOM 0 HA LYS A 126 -14.462 12.874 -14.398 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -16.373 10.892 -13.406 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -17.027 12.514 -13.510 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -15.492 12.190 -15.879 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -16.327 10.663 -15.670 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -18.228 12.730 -15.072 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -17.405 13.214 -16.542 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -18.883 11.826 -17.597 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -17.833 10.533 -17.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -20.123 10.123 -16.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -19.171 10.331 -15.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -20.189 11.584 -15.570 1.00 0.00 H new ATOM 2043 N LYS A 127 -13.791 13.942 -11.942 1.00 0.00 N ATOM 2044 CA LYS A 127 -13.719 14.998 -10.947 1.00 0.00 C ATOM 2045 C LYS A 127 -12.256 15.396 -10.738 1.00 0.00 C ATOM 2046 O LYS A 127 -11.401 14.539 -10.521 1.00 0.00 O ATOM 2047 CB LYS A 127 -14.430 14.572 -9.662 1.00 0.00 C ATOM 2048 CG LYS A 127 -13.444 13.959 -8.665 1.00 0.00 C ATOM 2049 CD LYS A 127 -14.180 13.322 -7.486 1.00 0.00 C ATOM 2050 CE LYS A 127 -13.697 13.906 -6.157 1.00 0.00 C ATOM 2051 NZ LYS A 127 -13.833 12.909 -5.072 1.00 0.00 N ATOM 0 H LYS A 127 -12.891 13.538 -12.202 1.00 0.00 H new ATOM 0 HA LYS A 127 -14.245 15.887 -11.295 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -14.920 15.435 -9.210 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -15.211 13.849 -9.897 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -12.835 13.207 -9.167 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -12.764 14.729 -8.300 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -15.252 13.486 -7.591 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -14.020 12.244 -7.493 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -12.656 14.215 -6.246 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -14.275 14.798 -5.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -13.501 13.322 -4.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -14.831 12.634 -4.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -13.263 12.069 -5.299 1.00 0.00 H new