USER MOD reduce.3.24.130724 H: found=0, std=0, add=1008, rem=0, adj=21 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 Set 1.1: A 27 LYS NZ :NH3+ 179:sc= 0.548 (180deg=0) USER MOD Set 1.2: A 41 THR OG1 : rot 180:sc= 0.504 USER MOD Single : A 8 MET CE :methyl 169:sc= -7.09! (180deg=-7.9!) USER MOD Single : A 13 ASN : amide:sc= -0.818 X(o=-0.82,f=-0.44) 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= -0.389 K(o=-0.39,f=-3.1!) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 36 SER OG : rot 54:sc= 1.21 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 42 GLN : amide:sc= -0.792 K(o=-0.79,f=-2.1!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 58:sc= 0.523 USER MOD Single : A 52 SER OG : rot 180:sc= 0 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= -2.01 K(o=-2,f=-3.9!) 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= -0.0955 K(o=-0.095,f=-1.6!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot -100:sc= 0.382 USER MOD Single : A 88 ASN : amide:sc= -1.36! X(o=-1.4!,f=-1.6) 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 -124:sc= 0.335 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 151:sc= -1.44 USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 107 THR OG1 : rot -31:sc= -2.25! USER MOD Single : A 110 GLN : amide:sc= -0.111 K(o=-0.11,f=-1.1!) USER MOD Single : A 111 ASN : amide:sc= -2.42! C(o=-2.4!,f=-21!) USER MOD Single : A 112 ASN : amide:sc= -1.11 K(o=-1.1,f=-4.2!) USER MOD Single : A 113 GLN : amide:sc= -1.97 K(o=-2,f=-4.6!) 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 -139:sc= -2.9! (180deg=-6.06!) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 139:sc= -0.221 (180deg=-1.83!) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -14.536 4.097 7.203 1.00 0.00 N ATOM 60 CA GLY A 7 -14.556 3.103 6.141 1.00 0.00 C ATOM 61 C GLY A 7 -13.473 3.390 5.101 1.00 0.00 C ATOM 62 O GLY A 7 -12.301 3.084 5.319 1.00 0.00 O ATOM 0 HA2 GLY A 7 -14.404 2.110 6.565 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.534 3.099 5.661 1.00 0.00 H new ATOM 66 N MET A 8 -13.901 3.974 3.993 1.00 0.00 N ATOM 67 CA MET A 8 -12.982 4.306 2.917 1.00 0.00 C ATOM 68 C MET A 8 -12.873 5.821 2.735 1.00 0.00 C ATOM 69 O MET A 8 -11.779 6.351 2.547 1.00 0.00 O ATOM 70 CB MET A 8 -13.468 3.669 1.614 1.00 0.00 C ATOM 71 CG MET A 8 -12.795 4.316 0.402 1.00 0.00 C ATOM 72 SD MET A 8 -11.036 4.445 0.679 1.00 0.00 S ATOM 73 CE MET A 8 -10.675 2.767 1.169 1.00 0.00 C ATOM 0 H MET A 8 -14.873 4.227 3.816 1.00 0.00 H new ATOM 0 HA MET A 8 -11.997 3.919 3.176 1.00 0.00 H new ATOM 0 HB2 MET A 8 -13.254 2.600 1.626 1.00 0.00 H new ATOM 0 HB3 MET A 8 -14.550 3.776 1.534 1.00 0.00 H new ATOM 0 HG2 MET A 8 -12.988 3.723 -0.492 1.00 0.00 H new ATOM 0 HG3 MET A 8 -13.218 5.305 0.226 1.00 0.00 H new ATOM 0 HE1 MET A 8 -9.595 2.619 1.192 1.00 0.00 H new ATOM 0 HE2 MET A 8 -11.088 2.581 2.161 1.00 0.00 H new ATOM 0 HE3 MET A 8 -11.121 2.075 0.454 1.00 0.00 H new ATOM 83 N GLU A 9 -14.024 6.476 2.798 1.00 0.00 N ATOM 84 CA GLU A 9 -14.073 7.920 2.643 1.00 0.00 C ATOM 85 C GLU A 9 -13.190 8.597 3.694 1.00 0.00 C ATOM 86 O GLU A 9 -12.902 9.788 3.593 1.00 0.00 O ATOM 87 CB GLU A 9 -15.512 8.432 2.724 1.00 0.00 C ATOM 88 CG GLU A 9 -15.793 9.455 1.620 1.00 0.00 C ATOM 89 CD GLU A 9 -17.195 10.049 1.768 1.00 0.00 C ATOM 90 OE1 GLU A 9 -18.148 9.369 1.333 1.00 0.00 O ATOM 91 OE2 GLU A 9 -17.280 11.171 2.314 1.00 0.00 O ATOM 0 H GLU A 9 -14.929 6.033 2.954 1.00 0.00 H new ATOM 0 HA GLU A 9 -13.688 8.173 1.655 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -16.205 7.595 2.635 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -15.686 8.887 3.699 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -15.050 10.252 1.660 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -15.697 8.978 0.644 1.00 0.00 H new ATOM 98 N ALA A 10 -12.786 7.807 4.678 1.00 0.00 N ATOM 99 CA ALA A 10 -11.941 8.315 5.747 1.00 0.00 C ATOM 100 C ALA A 10 -10.502 7.851 5.517 1.00 0.00 C ATOM 101 O ALA A 10 -9.577 8.662 5.527 1.00 0.00 O ATOM 102 CB ALA A 10 -12.494 7.855 7.096 1.00 0.00 C ATOM 0 H ALA A 10 -13.028 6.819 4.758 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.939 9.405 5.751 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.861 8.236 7.898 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.508 8.235 7.223 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.508 6.766 7.131 1.00 0.00 H new ATOM 108 N VAL A 11 -10.358 6.550 5.316 1.00 0.00 N ATOM 109 CA VAL A 11 -9.046 5.969 5.084 1.00 0.00 C ATOM 110 C VAL A 11 -8.382 6.676 3.902 1.00 0.00 C ATOM 111 O VAL A 11 -7.173 6.903 3.909 1.00 0.00 O ATOM 112 CB VAL A 11 -9.172 4.458 4.884 1.00 0.00 C ATOM 113 CG1 VAL A 11 -9.651 4.131 3.469 1.00 0.00 C ATOM 114 CG2 VAL A 11 -7.849 3.752 5.191 1.00 0.00 C ATOM 0 H VAL A 11 -11.128 5.881 5.309 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.404 6.116 5.952 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.920 4.088 5.585 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.732 3.050 3.353 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.626 4.588 3.300 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -8.937 4.521 2.744 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -7.966 2.679 5.041 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -7.072 4.129 4.525 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -7.565 3.945 6.226 1.00 0.00 H new ATOM 124 N LEU A 12 -9.200 7.005 2.914 1.00 0.00 N ATOM 125 CA LEU A 12 -8.707 7.682 1.726 1.00 0.00 C ATOM 126 C LEU A 12 -8.428 9.149 2.058 1.00 0.00 C ATOM 127 O LEU A 12 -7.967 9.905 1.206 1.00 0.00 O ATOM 128 CB LEU A 12 -9.677 7.489 0.558 1.00 0.00 C ATOM 129 CG LEU A 12 -9.135 6.711 -0.643 1.00 0.00 C ATOM 130 CD1 LEU A 12 -8.362 5.472 -0.189 1.00 0.00 C ATOM 131 CD2 LEU A 12 -10.257 6.360 -1.622 1.00 0.00 C ATOM 0 H LEU A 12 -10.202 6.815 2.911 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.763 7.244 1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.563 6.974 0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.000 8.472 0.214 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.433 7.352 -1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.987 4.937 -1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.524 5.776 0.438 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.023 4.819 0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.844 5.808 -2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.002 5.746 -1.116 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.725 7.276 -1.982 1.00 0.00 H new ATOM 143 N ASN A 13 -8.721 9.507 3.300 1.00 0.00 N ATOM 144 CA ASN A 13 -8.508 10.870 3.757 1.00 0.00 C ATOM 145 C ASN A 13 -7.356 10.891 4.764 1.00 0.00 C ATOM 146 O ASN A 13 -6.294 11.446 4.484 1.00 0.00 O ATOM 147 CB ASN A 13 -9.755 11.419 4.453 1.00 0.00 C ATOM 148 CG ASN A 13 -10.588 12.270 3.493 1.00 0.00 C ATOM 149 OD1 ASN A 13 -10.597 13.489 3.550 1.00 0.00 O ATOM 150 ND2 ASN A 13 -11.287 11.562 2.610 1.00 0.00 N ATOM 0 H ASN A 13 -9.104 8.876 4.004 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.281 11.486 2.887 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -10.359 10.593 4.830 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -9.461 12.018 5.315 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -11.876 12.038 1.926 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -11.234 10.543 2.617 1.00 0.00 H new ATOM 157 N GLU A 14 -7.606 10.282 5.914 1.00 0.00 N ATOM 158 CA GLU A 14 -6.602 10.225 6.963 1.00 0.00 C ATOM 159 C GLU A 14 -5.260 9.763 6.391 1.00 0.00 C ATOM 160 O GLU A 14 -5.220 8.910 5.505 1.00 0.00 O ATOM 161 CB GLU A 14 -7.055 9.312 8.104 1.00 0.00 C ATOM 162 CG GLU A 14 -6.693 9.913 9.464 1.00 0.00 C ATOM 163 CD GLU A 14 -5.396 9.304 10.005 1.00 0.00 C ATOM 164 OE1 GLU A 14 -5.218 8.084 9.806 1.00 0.00 O ATOM 165 OE2 GLU A 14 -4.614 10.074 10.602 1.00 0.00 O ATOM 0 H GLU A 14 -8.488 9.824 6.142 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.474 11.228 7.371 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.133 9.158 8.046 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.587 8.333 7.999 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.580 10.993 9.370 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.504 9.737 10.171 1.00 0.00 H new ATOM 172 N LEU A 15 -4.196 10.347 6.919 1.00 0.00 N ATOM 173 CA LEU A 15 -2.856 10.007 6.471 1.00 0.00 C ATOM 174 C LEU A 15 -2.038 9.502 7.662 1.00 0.00 C ATOM 175 O LEU A 15 -2.569 9.339 8.760 1.00 0.00 O ATOM 176 CB LEU A 15 -2.216 11.191 5.744 1.00 0.00 C ATOM 177 CG LEU A 15 -2.260 12.532 6.479 1.00 0.00 C ATOM 178 CD1 LEU A 15 -1.142 12.623 7.521 1.00 0.00 C ATOM 179 CD2 LEU A 15 -2.219 13.701 5.492 1.00 0.00 C ATOM 0 H LEU A 15 -4.234 11.054 7.653 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.893 9.198 5.742 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.174 10.946 5.539 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.711 11.311 4.780 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.207 12.596 7.015 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.196 13.586 8.029 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.258 11.821 8.250 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.175 12.527 7.027 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.252 14.642 6.041 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.299 13.653 4.909 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.077 13.642 4.822 1.00 0.00 H new ATOM 191 N VAL A 16 -0.760 9.268 7.405 1.00 0.00 N ATOM 192 CA VAL A 16 0.136 8.785 8.441 1.00 0.00 C ATOM 193 C VAL A 16 0.942 9.959 9.000 1.00 0.00 C ATOM 194 O VAL A 16 0.737 11.104 8.601 1.00 0.00 O ATOM 195 CB VAL A 16 1.018 7.664 7.889 1.00 0.00 C ATOM 196 CG1 VAL A 16 2.457 8.145 7.689 1.00 0.00 C ATOM 197 CG2 VAL A 16 0.974 6.434 8.798 1.00 0.00 C ATOM 0 H VAL A 16 -0.323 9.404 6.493 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.431 8.357 9.267 1.00 0.00 H new ATOM 0 HB VAL A 16 0.622 7.376 6.915 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.062 7.328 7.296 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.468 8.977 6.984 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.867 8.473 8.644 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.609 5.652 8.383 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.332 6.703 9.792 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -0.051 6.070 8.868 1.00 0.00 H new ATOM 207 N SER A 17 1.843 9.635 9.917 1.00 0.00 N ATOM 208 CA SER A 17 2.681 10.648 10.534 1.00 0.00 C ATOM 209 C SER A 17 4.137 10.183 10.553 1.00 0.00 C ATOM 210 O SER A 17 4.427 9.055 10.948 1.00 0.00 O ATOM 211 CB SER A 17 2.206 10.964 11.955 1.00 0.00 C ATOM 212 OG SER A 17 0.785 11.036 12.039 1.00 0.00 O ATOM 0 H SER A 17 2.010 8.684 10.247 1.00 0.00 H new ATOM 0 HA SER A 17 2.606 11.560 9.943 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.571 10.197 12.638 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.637 11.911 12.279 1.00 0.00 H new ATOM 0 HG SER A 17 0.522 11.238 12.961 1.00 0.00 H new ATOM 218 N VAL A 18 5.016 11.075 10.121 1.00 0.00 N ATOM 219 CA VAL A 18 6.436 10.769 10.082 1.00 0.00 C ATOM 220 C VAL A 18 6.842 10.086 11.389 1.00 0.00 C ATOM 221 O VAL A 18 7.432 9.007 11.373 1.00 0.00 O ATOM 222 CB VAL A 18 7.238 12.041 9.800 1.00 0.00 C ATOM 223 CG1 VAL A 18 8.742 11.769 9.866 1.00 0.00 C ATOM 224 CG2 VAL A 18 6.849 12.645 8.449 1.00 0.00 C ATOM 0 H VAL A 18 4.772 12.010 9.795 1.00 0.00 H new ATOM 0 HA VAL A 18 6.654 10.075 9.270 1.00 0.00 H new ATOM 0 HB VAL A 18 6.996 12.768 10.575 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.288 12.690 9.662 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.003 11.406 10.860 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.009 11.017 9.123 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.433 13.548 8.272 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.048 11.923 7.657 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.788 12.895 8.454 1.00 0.00 H new ATOM 234 N GLU A 19 6.509 10.742 12.492 1.00 0.00 N ATOM 235 CA GLU A 19 6.830 10.211 13.805 1.00 0.00 C ATOM 236 C GLU A 19 6.518 8.715 13.864 1.00 0.00 C ATOM 237 O GLU A 19 7.157 7.972 14.608 1.00 0.00 O ATOM 238 CB GLU A 19 6.082 10.971 14.902 1.00 0.00 C ATOM 239 CG GLU A 19 7.036 11.407 16.016 1.00 0.00 C ATOM 240 CD GLU A 19 7.494 10.206 16.846 1.00 0.00 C ATOM 241 OE1 GLU A 19 6.735 9.829 17.765 1.00 0.00 O ATOM 242 OE2 GLU A 19 8.593 9.693 16.544 1.00 0.00 O ATOM 0 H GLU A 19 6.020 11.637 12.502 1.00 0.00 H new ATOM 0 HA GLU A 19 7.898 10.346 13.978 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.593 11.846 14.474 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.297 10.338 15.317 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.903 11.906 15.583 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.540 12.132 16.661 1.00 0.00 H new ATOM 249 N ASP A 20 5.535 8.316 13.070 1.00 0.00 N ATOM 250 CA ASP A 20 5.130 6.921 13.022 1.00 0.00 C ATOM 251 C ASP A 20 5.908 6.207 11.916 1.00 0.00 C ATOM 252 O ASP A 20 6.672 5.280 12.188 1.00 0.00 O ATOM 253 CB ASP A 20 3.638 6.792 12.710 1.00 0.00 C ATOM 254 CG ASP A 20 2.754 6.439 13.908 1.00 0.00 C ATOM 255 OD1 ASP A 20 2.732 7.254 14.855 1.00 0.00 O ATOM 256 OD2 ASP A 20 2.122 5.363 13.850 1.00 0.00 O ATOM 0 H ASP A 20 5.007 8.935 12.455 1.00 0.00 H new ATOM 0 HA ASP A 20 5.335 6.476 13.996 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.289 7.733 12.285 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.507 6.028 11.944 1.00 0.00 H new ATOM 261 N LEU A 21 5.689 6.662 10.692 1.00 0.00 N ATOM 262 CA LEU A 21 6.360 6.078 9.543 1.00 0.00 C ATOM 263 C LEU A 21 7.835 5.850 9.882 1.00 0.00 C ATOM 264 O LEU A 21 8.347 4.742 9.732 1.00 0.00 O ATOM 265 CB LEU A 21 6.141 6.939 8.298 1.00 0.00 C ATOM 266 CG LEU A 21 6.959 6.555 7.063 1.00 0.00 C ATOM 267 CD1 LEU A 21 6.061 6.420 5.832 1.00 0.00 C ATOM 268 CD2 LEU A 21 8.103 7.544 6.834 1.00 0.00 C ATOM 0 H LEU A 21 5.055 7.430 10.470 1.00 0.00 H new ATOM 0 HA LEU A 21 5.932 5.104 9.306 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.084 6.900 8.035 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.368 7.974 8.552 1.00 0.00 H new ATOM 0 HG LEU A 21 7.410 5.579 7.241 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.667 6.147 4.968 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.313 5.647 6.010 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.562 7.370 5.639 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.668 7.248 5.950 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.695 8.544 6.686 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.762 7.546 7.702 1.00 0.00 H new ATOM 280 N LYS A 22 8.478 6.919 10.332 1.00 0.00 N ATOM 281 CA LYS A 22 9.883 6.850 10.693 1.00 0.00 C ATOM 282 C LYS A 22 10.078 5.778 11.768 1.00 0.00 C ATOM 283 O LYS A 22 11.036 5.008 11.715 1.00 0.00 O ATOM 284 CB LYS A 22 10.400 8.231 11.101 1.00 0.00 C ATOM 285 CG LYS A 22 10.106 8.512 12.576 1.00 0.00 C ATOM 286 CD LYS A 22 11.129 7.823 13.481 1.00 0.00 C ATOM 287 CE LYS A 22 12.079 8.843 14.112 1.00 0.00 C ATOM 288 NZ LYS A 22 13.478 8.555 13.728 1.00 0.00 N ATOM 0 H LYS A 22 8.051 7.837 10.454 1.00 0.00 H new ATOM 0 HA LYS A 22 10.483 6.552 9.833 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.474 8.289 10.923 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.933 8.996 10.481 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.123 9.587 12.755 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.103 8.163 12.823 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.612 7.269 14.265 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.701 7.097 12.903 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.807 9.849 13.791 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.981 8.817 15.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.109 9.257 14.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.739 7.603 14.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.571 8.603 12.693 1.00 0.00 H new ATOM 302 N ASN A 23 9.153 5.762 12.717 1.00 0.00 N ATOM 303 CA ASN A 23 9.211 4.798 13.802 1.00 0.00 C ATOM 304 C ASN A 23 9.375 3.393 13.221 1.00 0.00 C ATOM 305 O ASN A 23 9.957 2.516 13.860 1.00 0.00 O ATOM 306 CB ASN A 23 7.924 4.821 14.628 1.00 0.00 C ATOM 307 CG ASN A 23 8.233 4.928 16.123 1.00 0.00 C ATOM 308 OD1 ASN A 23 9.352 5.187 16.534 1.00 0.00 O ATOM 309 ND2 ASN A 23 7.182 4.715 16.909 1.00 0.00 N ATOM 0 H ASN A 23 8.359 6.401 12.757 1.00 0.00 H new ATOM 0 HA ASN A 23 10.054 5.060 14.441 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.305 5.664 14.320 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.348 3.916 14.436 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.285 4.764 17.923 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.273 4.503 16.498 1.00 0.00 H new ATOM 316 N PHE A 24 8.851 3.220 12.016 1.00 0.00 N ATOM 317 CA PHE A 24 8.933 1.935 11.342 1.00 0.00 C ATOM 318 C PHE A 24 10.094 1.911 10.347 1.00 0.00 C ATOM 319 O PHE A 24 10.820 0.921 10.259 1.00 0.00 O ATOM 320 CB PHE A 24 7.619 1.747 10.579 1.00 0.00 C ATOM 321 CG PHE A 24 6.495 1.136 11.417 1.00 0.00 C ATOM 322 CD1 PHE A 24 6.469 1.328 12.764 1.00 0.00 C ATOM 323 CD2 PHE A 24 5.521 0.403 10.817 1.00 0.00 C ATOM 324 CE1 PHE A 24 5.426 0.762 13.542 1.00 0.00 C ATOM 325 CE2 PHE A 24 4.477 -0.164 11.595 1.00 0.00 C ATOM 326 CZ PHE A 24 4.451 0.027 12.941 1.00 0.00 C ATOM 0 H PHE A 24 8.368 3.948 11.489 1.00 0.00 H new ATOM 0 HA PHE A 24 9.098 1.142 12.071 1.00 0.00 H new ATOM 0 HB2 PHE A 24 7.290 2.714 10.199 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.801 1.109 9.714 1.00 0.00 H new ATOM 0 HD1 PHE A 24 7.243 1.911 13.241 1.00 0.00 H new ATOM 0 HD2 PHE A 24 5.541 0.251 9.748 1.00 0.00 H new ATOM 0 HE1 PHE A 24 5.406 0.914 14.611 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.703 -0.747 11.117 1.00 0.00 H new ATOM 0 HZ PHE A 24 3.657 -0.404 13.533 1.00 0.00 H new ATOM 336 N GLU A 25 10.235 3.011 9.622 1.00 0.00 N ATOM 337 CA GLU A 25 11.296 3.129 8.637 1.00 0.00 C ATOM 338 C GLU A 25 12.570 2.453 9.147 1.00 0.00 C ATOM 339 O GLU A 25 13.103 1.553 8.499 1.00 0.00 O ATOM 340 CB GLU A 25 11.557 4.594 8.283 1.00 0.00 C ATOM 341 CG GLU A 25 12.229 4.716 6.914 1.00 0.00 C ATOM 342 CD GLU A 25 12.300 6.178 6.467 1.00 0.00 C ATOM 343 OE1 GLU A 25 11.221 6.737 6.178 1.00 0.00 O ATOM 344 OE2 GLU A 25 13.434 6.703 6.424 1.00 0.00 O ATOM 0 H GLU A 25 9.631 3.829 9.697 1.00 0.00 H new ATOM 0 HA GLU A 25 10.977 2.622 7.726 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.616 5.144 8.281 1.00 0.00 H new ATOM 0 HB3 GLU A 25 12.190 5.049 9.045 1.00 0.00 H new ATOM 0 HG2 GLU A 25 13.234 4.297 6.959 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.673 4.134 6.179 1.00 0.00 H new ATOM 351 N ARG A 26 13.023 2.913 10.305 1.00 0.00 N ATOM 352 CA ARG A 26 14.225 2.364 10.909 1.00 0.00 C ATOM 353 C ARG A 26 14.205 0.836 10.837 1.00 0.00 C ATOM 354 O ARG A 26 15.170 0.218 10.387 1.00 0.00 O ATOM 355 CB ARG A 26 14.355 2.798 12.370 1.00 0.00 C ATOM 356 CG ARG A 26 13.025 2.633 13.111 1.00 0.00 C ATOM 357 CD ARG A 26 12.783 3.800 14.070 1.00 0.00 C ATOM 358 NE ARG A 26 13.004 3.363 15.466 1.00 0.00 N ATOM 359 CZ ARG A 26 14.206 3.309 16.055 1.00 0.00 C ATOM 360 NH1 ARG A 26 15.303 3.665 15.373 1.00 0.00 N ATOM 361 NH2 ARG A 26 14.311 2.899 17.327 1.00 0.00 N ATOM 0 H ARG A 26 12.579 3.659 10.840 1.00 0.00 H new ATOM 0 HA ARG A 26 15.080 2.746 10.352 1.00 0.00 H new ATOM 0 HB2 ARG A 26 15.126 2.205 12.862 1.00 0.00 H new ATOM 0 HB3 ARG A 26 14.675 3.839 12.417 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.209 2.574 12.391 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.028 1.695 13.667 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.453 4.625 13.828 1.00 0.00 H new ATOM 0 HD3 ARG A 26 11.765 4.172 13.954 1.00 0.00 H new ATOM 0 HE ARG A 26 12.190 3.085 16.014 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.223 3.977 14.405 1.00 0.00 H new ATOM 0 HH12 ARG A 26 16.218 3.624 15.822 1.00 0.00 H new ATOM 0 HH21 ARG A 26 13.476 2.628 17.846 1.00 0.00 H new ATOM 0 HH22 ARG A 26 15.226 2.858 17.776 1.00 0.00 H new ATOM 375 N LYS A 27 13.096 0.269 11.289 1.00 0.00 N ATOM 376 CA LYS A 27 12.938 -1.176 11.282 1.00 0.00 C ATOM 377 C LYS A 27 13.366 -1.725 9.920 1.00 0.00 C ATOM 378 O LYS A 27 14.339 -2.471 9.825 1.00 0.00 O ATOM 379 CB LYS A 27 11.512 -1.561 11.679 1.00 0.00 C ATOM 380 CG LYS A 27 11.492 -2.892 12.433 1.00 0.00 C ATOM 381 CD LYS A 27 10.161 -3.090 13.161 1.00 0.00 C ATOM 382 CE LYS A 27 10.028 -4.523 13.679 1.00 0.00 C ATOM 383 NZ LYS A 27 8.780 -5.142 13.178 1.00 0.00 N ATOM 0 H LYS A 27 12.298 0.784 11.662 1.00 0.00 H new ATOM 0 HA LYS A 27 13.587 -1.633 12.029 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.081 -0.779 12.304 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.890 -1.635 10.787 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.654 -3.712 11.734 1.00 0.00 H new ATOM 0 HG3 LYS A 27 12.311 -2.919 13.152 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.090 -2.390 13.994 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.336 -2.866 12.485 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.887 -5.113 13.359 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.029 -4.523 14.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.714 -6.120 13.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.962 -4.598 13.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.787 -5.144 12.138 1.00 0.00 H new ATOM 397 N PHE A 28 12.618 -1.335 8.899 1.00 0.00 N ATOM 398 CA PHE A 28 12.908 -1.779 7.545 1.00 0.00 C ATOM 399 C PHE A 28 14.409 -1.714 7.257 1.00 0.00 C ATOM 400 O PHE A 28 15.040 -2.738 7.002 1.00 0.00 O ATOM 401 CB PHE A 28 12.177 -0.826 6.597 1.00 0.00 C ATOM 402 CG PHE A 28 12.124 -1.313 5.147 1.00 0.00 C ATOM 403 CD1 PHE A 28 11.126 -2.147 4.746 1.00 0.00 C ATOM 404 CD2 PHE A 28 13.073 -0.913 4.259 1.00 0.00 C ATOM 405 CE1 PHE A 28 11.077 -2.599 3.401 1.00 0.00 C ATOM 406 CE2 PHE A 28 13.024 -1.365 2.914 1.00 0.00 C ATOM 407 CZ PHE A 28 12.026 -2.199 2.513 1.00 0.00 C ATOM 0 H PHE A 28 11.811 -0.716 8.981 1.00 0.00 H new ATOM 0 HA PHE A 28 12.585 -2.812 7.414 1.00 0.00 H new ATOM 0 HB2 PHE A 28 11.159 -0.680 6.958 1.00 0.00 H new ATOM 0 HB3 PHE A 28 12.668 0.147 6.626 1.00 0.00 H new ATOM 0 HD1 PHE A 28 10.372 -2.465 5.451 1.00 0.00 H new ATOM 0 HD2 PHE A 28 13.865 -0.251 4.577 1.00 0.00 H new ATOM 0 HE1 PHE A 28 10.285 -3.261 3.083 1.00 0.00 H new ATOM 0 HE2 PHE A 28 13.778 -1.047 2.209 1.00 0.00 H new ATOM 0 HZ PHE A 28 11.988 -2.543 1.490 1.00 0.00 H new ATOM 417 N GLN A 29 14.938 -0.500 7.308 1.00 0.00 N ATOM 418 CA GLN A 29 16.353 -0.289 7.055 1.00 0.00 C ATOM 419 C GLN A 29 17.187 -1.325 7.810 1.00 0.00 C ATOM 420 O GLN A 29 17.803 -2.197 7.198 1.00 0.00 O ATOM 421 CB GLN A 29 16.771 1.133 7.436 1.00 0.00 C ATOM 422 CG GLN A 29 16.106 2.164 6.520 1.00 0.00 C ATOM 423 CD GLN A 29 16.665 3.565 6.775 1.00 0.00 C ATOM 424 OE1 GLN A 29 17.706 3.744 7.387 1.00 0.00 O ATOM 425 NE2 GLN A 29 15.919 4.544 6.274 1.00 0.00 N ATOM 0 H GLN A 29 14.412 0.347 7.521 1.00 0.00 H new ATOM 0 HA GLN A 29 16.534 -0.413 5.987 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.497 1.331 8.472 1.00 0.00 H new ATOM 0 HB3 GLN A 29 17.855 1.228 7.369 1.00 0.00 H new ATOM 0 HG2 GLN A 29 16.268 1.888 5.478 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.029 2.162 6.686 1.00 0.00 H new ATOM 0 HE21 GLN A 29 15.059 4.324 5.772 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.207 5.516 6.391 1.00 0.00 H new ATOM 434 N SER A 30 17.181 -1.198 9.129 1.00 0.00 N ATOM 435 CA SER A 30 17.929 -2.114 9.973 1.00 0.00 C ATOM 436 C SER A 30 17.666 -3.558 9.541 1.00 0.00 C ATOM 437 O SER A 30 18.589 -4.271 9.152 1.00 0.00 O ATOM 438 CB SER A 30 17.566 -1.925 11.447 1.00 0.00 C ATOM 439 OG SER A 30 18.619 -2.340 12.313 1.00 0.00 O ATOM 0 H SER A 30 16.670 -0.474 9.634 1.00 0.00 H new ATOM 0 HA SER A 30 18.991 -1.896 9.858 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.336 -0.876 11.632 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.664 -2.494 11.674 1.00 0.00 H new ATOM 0 HG SER A 30 18.350 -2.202 13.245 1.00 0.00 H new ATOM 445 N GLU A 31 16.402 -3.945 9.626 1.00 0.00 N ATOM 446 CA GLU A 31 16.005 -5.291 9.249 1.00 0.00 C ATOM 447 C GLU A 31 16.614 -5.664 7.896 1.00 0.00 C ATOM 448 O GLU A 31 16.932 -6.828 7.654 1.00 0.00 O ATOM 449 CB GLU A 31 14.481 -5.426 9.220 1.00 0.00 C ATOM 450 CG GLU A 31 13.901 -5.387 10.636 1.00 0.00 C ATOM 451 CD GLU A 31 13.699 -6.802 11.185 1.00 0.00 C ATOM 452 OE1 GLU A 31 14.726 -7.487 11.379 1.00 0.00 O ATOM 453 OE2 GLU A 31 12.522 -7.164 11.398 1.00 0.00 O ATOM 0 H GLU A 31 15.639 -3.350 9.950 1.00 0.00 H new ATOM 0 HA GLU A 31 16.384 -5.984 10.000 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.052 -4.620 8.625 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.204 -6.362 8.735 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.571 -4.831 11.292 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.949 -4.857 10.628 1.00 0.00 H new ATOM 460 N GLN A 32 16.756 -4.656 7.048 1.00 0.00 N ATOM 461 CA GLN A 32 17.321 -4.864 5.726 1.00 0.00 C ATOM 462 C GLN A 32 18.773 -5.335 5.837 1.00 0.00 C ATOM 463 O GLN A 32 19.114 -6.420 5.370 1.00 0.00 O ATOM 464 CB GLN A 32 17.220 -3.594 4.880 1.00 0.00 C ATOM 465 CG GLN A 32 17.021 -3.933 3.402 1.00 0.00 C ATOM 466 CD GLN A 32 16.768 -2.669 2.578 1.00 0.00 C ATOM 467 OE1 GLN A 32 16.772 -1.557 3.082 1.00 0.00 O ATOM 468 NE2 GLN A 32 16.547 -2.899 1.287 1.00 0.00 N ATOM 0 H GLN A 32 16.489 -3.693 7.251 1.00 0.00 H new ATOM 0 HA GLN A 32 16.745 -5.641 5.225 1.00 0.00 H new ATOM 0 HB2 GLN A 32 16.388 -2.984 5.232 1.00 0.00 H new ATOM 0 HB3 GLN A 32 18.125 -2.999 5.001 1.00 0.00 H new ATOM 0 HG2 GLN A 32 17.903 -4.449 3.022 1.00 0.00 H new ATOM 0 HG3 GLN A 32 16.180 -4.617 3.292 1.00 0.00 H new ATOM 0 HE21 GLN A 32 16.558 -3.854 0.930 1.00 0.00 H new ATOM 0 HE22 GLN A 32 16.367 -2.120 0.654 1.00 0.00 H new ATOM 477 N ALA A 33 19.588 -4.495 6.457 1.00 0.00 N ATOM 478 CA ALA A 33 20.995 -4.811 6.636 1.00 0.00 C ATOM 479 C ALA A 33 21.131 -5.974 7.621 1.00 0.00 C ATOM 480 O ALA A 33 22.219 -6.523 7.792 1.00 0.00 O ATOM 481 CB ALA A 33 21.745 -3.562 7.101 1.00 0.00 C ATOM 0 H ALA A 33 19.301 -3.595 6.842 1.00 0.00 H new ATOM 0 HA ALA A 33 21.440 -5.125 5.692 1.00 0.00 H new ATOM 0 HB1 ALA A 33 22.800 -3.800 7.235 1.00 0.00 H new ATOM 0 HB2 ALA A 33 21.642 -2.776 6.353 1.00 0.00 H new ATOM 0 HB3 ALA A 33 21.328 -3.218 8.047 1.00 0.00 H new ATOM 487 N ALA A 34 20.012 -6.316 8.242 1.00 0.00 N ATOM 488 CA ALA A 34 19.992 -7.403 9.205 1.00 0.00 C ATOM 489 C ALA A 34 20.056 -8.739 8.461 1.00 0.00 C ATOM 490 O ALA A 34 20.662 -9.694 8.945 1.00 0.00 O ATOM 491 CB ALA A 34 18.745 -7.285 10.084 1.00 0.00 C ATOM 0 H ALA A 34 19.112 -5.859 8.097 1.00 0.00 H new ATOM 0 HA ALA A 34 20.860 -7.349 9.862 1.00 0.00 H new ATOM 0 HB1 ALA A 34 18.731 -8.101 10.806 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.762 -6.332 10.613 1.00 0.00 H new ATOM 0 HB3 ALA A 34 17.853 -7.338 9.459 1.00 0.00 H new ATOM 497 N GLY A 35 19.424 -8.763 7.298 1.00 0.00 N ATOM 498 CA GLY A 35 19.402 -9.965 6.483 1.00 0.00 C ATOM 499 C GLY A 35 18.290 -9.897 5.434 1.00 0.00 C ATOM 500 O GLY A 35 18.474 -10.336 4.300 1.00 0.00 O ATOM 0 H GLY A 35 18.923 -7.969 6.900 1.00 0.00 H new ATOM 0 HA2 GLY A 35 20.365 -10.091 5.989 1.00 0.00 H new ATOM 0 HA3 GLY A 35 19.253 -10.837 7.119 1.00 0.00 H new ATOM 504 N SER A 36 17.162 -9.341 5.850 1.00 0.00 N ATOM 505 CA SER A 36 16.020 -9.209 4.961 1.00 0.00 C ATOM 506 C SER A 36 14.815 -8.666 5.732 1.00 0.00 C ATOM 507 O SER A 36 14.407 -9.245 6.739 1.00 0.00 O ATOM 508 CB SER A 36 15.673 -10.548 4.308 1.00 0.00 C ATOM 509 OG SER A 36 16.244 -10.673 3.008 1.00 0.00 O ATOM 0 H SER A 36 17.014 -8.977 6.791 1.00 0.00 H new ATOM 0 HA SER A 36 16.283 -8.507 4.170 1.00 0.00 H new ATOM 0 HB2 SER A 36 16.028 -11.362 4.940 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.590 -10.648 4.239 1.00 0.00 H new ATOM 0 HG SER A 36 17.209 -10.510 3.058 1.00 0.00 H new ATOM 515 N VAL A 37 14.280 -7.564 5.232 1.00 0.00 N ATOM 516 CA VAL A 37 13.130 -6.937 5.861 1.00 0.00 C ATOM 517 C VAL A 37 11.964 -7.927 5.883 1.00 0.00 C ATOM 518 O VAL A 37 11.607 -8.495 4.853 1.00 0.00 O ATOM 519 CB VAL A 37 12.790 -5.629 5.146 1.00 0.00 C ATOM 520 CG1 VAL A 37 11.459 -5.061 5.643 1.00 0.00 C ATOM 521 CG2 VAL A 37 13.915 -4.605 5.308 1.00 0.00 C ATOM 0 H VAL A 37 14.621 -7.088 4.397 1.00 0.00 H new ATOM 0 HA VAL A 37 13.355 -6.677 6.895 1.00 0.00 H new ATOM 0 HB VAL A 37 12.686 -5.848 4.083 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.242 -4.131 5.118 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.663 -5.780 5.452 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.523 -4.867 6.714 1.00 0.00 H new ATOM 0 HG21 VAL A 37 13.647 -3.684 4.790 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.066 -4.395 6.367 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.835 -5.005 4.883 1.00 0.00 H new ATOM 531 N SER A 38 11.401 -8.104 7.071 1.00 0.00 N ATOM 532 CA SER A 38 10.282 -9.014 7.241 1.00 0.00 C ATOM 533 C SER A 38 9.042 -8.456 6.541 1.00 0.00 C ATOM 534 O SER A 38 8.913 -7.245 6.371 1.00 0.00 O ATOM 535 CB SER A 38 9.991 -9.259 8.722 1.00 0.00 C ATOM 536 OG SER A 38 11.057 -9.950 9.370 1.00 0.00 O ATOM 0 H SER A 38 11.700 -7.632 7.924 1.00 0.00 H new ATOM 0 HA SER A 38 10.547 -9.969 6.788 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.822 -8.305 9.221 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.072 -9.837 8.820 1.00 0.00 H new ATOM 0 HG SER A 38 10.833 -10.085 10.314 1.00 0.00 H new ATOM 542 N LYS A 39 8.160 -9.367 6.155 1.00 0.00 N ATOM 543 CA LYS A 39 6.933 -8.980 5.477 1.00 0.00 C ATOM 544 C LYS A 39 6.230 -7.889 6.288 1.00 0.00 C ATOM 545 O LYS A 39 5.956 -6.807 5.772 1.00 0.00 O ATOM 546 CB LYS A 39 6.060 -10.207 5.210 1.00 0.00 C ATOM 547 CG LYS A 39 6.808 -11.239 4.361 1.00 0.00 C ATOM 548 CD LYS A 39 5.879 -12.380 3.941 1.00 0.00 C ATOM 549 CE LYS A 39 6.440 -13.733 4.383 1.00 0.00 C ATOM 550 NZ LYS A 39 5.776 -14.832 3.648 1.00 0.00 N ATOM 0 H LYS A 39 8.270 -10.371 6.298 1.00 0.00 H new ATOM 0 HA LYS A 39 7.155 -8.556 4.498 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.761 -10.658 6.156 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.147 -9.903 4.699 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.220 -10.756 3.475 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.649 -11.640 4.927 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.892 -12.231 4.379 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.752 -12.371 2.858 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.515 -13.764 4.204 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.292 -13.862 5.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.168 -15.744 3.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.754 -14.810 3.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.939 -14.715 2.627 1.00 0.00 H new ATOM 564 N SER A 40 5.959 -8.213 7.544 1.00 0.00 N ATOM 565 CA SER A 40 5.292 -7.274 8.431 1.00 0.00 C ATOM 566 C SER A 40 5.857 -5.867 8.223 1.00 0.00 C ATOM 567 O SER A 40 5.150 -4.974 7.759 1.00 0.00 O ATOM 568 CB SER A 40 5.444 -7.696 9.893 1.00 0.00 C ATOM 569 OG SER A 40 4.225 -8.200 10.433 1.00 0.00 O ATOM 0 H SER A 40 6.189 -9.112 7.968 1.00 0.00 H new ATOM 0 HA SER A 40 4.229 -7.271 8.190 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.218 -8.459 9.971 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.777 -6.843 10.484 1.00 0.00 H new ATOM 0 HG SER A 40 4.364 -8.460 11.368 1.00 0.00 H new ATOM 575 N THR A 41 7.125 -5.714 8.576 1.00 0.00 N ATOM 576 CA THR A 41 7.791 -4.432 8.434 1.00 0.00 C ATOM 577 C THR A 41 7.599 -3.884 7.019 1.00 0.00 C ATOM 578 O THR A 41 7.298 -2.704 6.841 1.00 0.00 O ATOM 579 CB THR A 41 9.261 -4.617 8.819 1.00 0.00 C ATOM 580 OG1 THR A 41 9.216 -4.974 10.198 1.00 0.00 O ATOM 581 CG2 THR A 41 10.043 -3.302 8.799 1.00 0.00 C ATOM 0 H THR A 41 7.708 -6.457 8.960 1.00 0.00 H new ATOM 0 HA THR A 41 7.357 -3.686 9.099 1.00 0.00 H new ATOM 0 HB THR A 41 9.728 -5.326 8.136 1.00 0.00 H new ATOM 0 HG1 THR A 41 10.127 -5.115 10.529 1.00 0.00 H new ATOM 0 HG21 THR A 41 11.079 -3.491 9.080 1.00 0.00 H new ATOM 0 HG22 THR A 41 10.011 -2.875 7.797 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.597 -2.603 9.506 1.00 0.00 H new ATOM 589 N GLN A 42 7.781 -4.767 6.047 1.00 0.00 N ATOM 590 CA GLN A 42 7.630 -4.387 4.652 1.00 0.00 C ATOM 591 C GLN A 42 6.237 -3.802 4.409 1.00 0.00 C ATOM 592 O GLN A 42 6.102 -2.620 4.097 1.00 0.00 O ATOM 593 CB GLN A 42 7.895 -5.577 3.728 1.00 0.00 C ATOM 594 CG GLN A 42 8.152 -5.111 2.295 1.00 0.00 C ATOM 595 CD GLN A 42 9.076 -6.084 1.558 1.00 0.00 C ATOM 596 OE1 GLN A 42 9.944 -6.715 2.138 1.00 0.00 O ATOM 597 NE2 GLN A 42 8.840 -6.171 0.252 1.00 0.00 N ATOM 0 H GLN A 42 8.032 -5.744 6.198 1.00 0.00 H new ATOM 0 HA GLN A 42 8.369 -3.620 4.422 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.755 -6.139 4.091 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.041 -6.254 3.747 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.206 -5.028 1.761 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.600 -4.117 2.307 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.097 -5.614 -0.170 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.402 -6.795 -0.327 1.00 0.00 H new ATOM 606 N PHE A 43 5.237 -4.659 4.560 1.00 0.00 N ATOM 607 CA PHE A 43 3.860 -4.242 4.360 1.00 0.00 C ATOM 608 C PHE A 43 3.498 -3.078 5.286 1.00 0.00 C ATOM 609 O PHE A 43 2.762 -2.173 4.894 1.00 0.00 O ATOM 610 CB PHE A 43 2.975 -5.442 4.701 1.00 0.00 C ATOM 611 CG PHE A 43 1.558 -5.066 5.141 1.00 0.00 C ATOM 612 CD1 PHE A 43 0.633 -4.700 4.213 1.00 0.00 C ATOM 613 CD2 PHE A 43 1.224 -5.099 6.459 1.00 0.00 C ATOM 614 CE1 PHE A 43 -0.681 -4.351 4.621 1.00 0.00 C ATOM 615 CE2 PHE A 43 -0.091 -4.751 6.867 1.00 0.00 C ATOM 616 CZ PHE A 43 -1.016 -4.384 5.939 1.00 0.00 C ATOM 0 H PHE A 43 5.353 -5.639 4.818 1.00 0.00 H new ATOM 0 HA PHE A 43 3.718 -3.910 3.331 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.913 -6.094 3.830 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.451 -6.017 5.496 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.898 -4.675 3.166 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.959 -5.390 7.195 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.415 -4.059 3.885 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.357 -4.778 7.913 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.016 -4.119 6.249 1.00 0.00 H new ATOM 626 N GLU A 44 4.035 -3.137 6.496 1.00 0.00 N ATOM 627 CA GLU A 44 3.779 -2.100 7.480 1.00 0.00 C ATOM 628 C GLU A 44 4.320 -0.756 6.988 1.00 0.00 C ATOM 629 O GLU A 44 3.552 0.117 6.588 1.00 0.00 O ATOM 630 CB GLU A 44 4.381 -2.471 8.836 1.00 0.00 C ATOM 631 CG GLU A 44 3.529 -3.526 9.546 1.00 0.00 C ATOM 632 CD GLU A 44 4.235 -4.049 10.798 1.00 0.00 C ATOM 633 OE1 GLU A 44 5.476 -4.187 10.734 1.00 0.00 O ATOM 634 OE2 GLU A 44 3.518 -4.300 11.790 1.00 0.00 O ATOM 0 H GLU A 44 4.647 -3.888 6.817 1.00 0.00 H new ATOM 0 HA GLU A 44 2.701 -2.009 7.611 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.393 -2.850 8.697 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.457 -1.580 9.460 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.566 -3.096 9.820 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.327 -4.353 8.866 1.00 0.00 H new ATOM 641 N TYR A 45 5.639 -0.634 7.034 1.00 0.00 N ATOM 642 CA TYR A 45 6.292 0.589 6.597 1.00 0.00 C ATOM 643 C TYR A 45 5.732 1.060 5.254 1.00 0.00 C ATOM 644 O TYR A 45 5.530 2.256 5.047 1.00 0.00 O ATOM 645 CB TYR A 45 7.771 0.239 6.426 1.00 0.00 C ATOM 646 CG TYR A 45 8.584 1.310 5.696 1.00 0.00 C ATOM 647 CD1 TYR A 45 8.717 2.568 6.245 1.00 0.00 C ATOM 648 CD2 TYR A 45 9.183 1.017 4.487 1.00 0.00 C ATOM 649 CE1 TYR A 45 9.482 3.577 5.558 1.00 0.00 C ATOM 650 CE2 TYR A 45 9.948 2.025 3.801 1.00 0.00 C ATOM 651 CZ TYR A 45 10.060 3.256 4.369 1.00 0.00 C ATOM 652 OH TYR A 45 10.782 4.207 3.720 1.00 0.00 O ATOM 0 H TYR A 45 6.272 -1.361 7.367 1.00 0.00 H new ATOM 0 HA TYR A 45 6.133 1.389 7.320 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.210 0.072 7.409 1.00 0.00 H new ATOM 0 HB3 TYR A 45 7.851 -0.700 5.878 1.00 0.00 H new ATOM 0 HD1 TYR A 45 8.247 2.797 7.190 1.00 0.00 H new ATOM 0 HD2 TYR A 45 9.078 0.032 4.056 1.00 0.00 H new ATOM 0 HE1 TYR A 45 9.594 4.566 5.977 1.00 0.00 H new ATOM 0 HE2 TYR A 45 10.423 1.809 2.855 1.00 0.00 H new ATOM 0 HH TYR A 45 11.137 3.836 2.885 1.00 0.00 H new ATOM 662 N ALA A 46 5.498 0.096 4.376 1.00 0.00 N ATOM 663 CA ALA A 46 4.966 0.397 3.058 1.00 0.00 C ATOM 664 C ALA A 46 3.553 0.965 3.201 1.00 0.00 C ATOM 665 O ALA A 46 3.214 1.963 2.566 1.00 0.00 O ATOM 666 CB ALA A 46 5.003 -0.864 2.191 1.00 0.00 C ATOM 0 H ALA A 46 5.667 -0.894 4.552 1.00 0.00 H new ATOM 0 HA ALA A 46 5.576 1.151 2.561 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.604 -0.638 1.202 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.032 -1.210 2.096 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.399 -1.643 2.656 1.00 0.00 H new ATOM 672 N TRP A 47 2.765 0.304 4.037 1.00 0.00 N ATOM 673 CA TRP A 47 1.397 0.731 4.272 1.00 0.00 C ATOM 674 C TRP A 47 1.437 2.129 4.893 1.00 0.00 C ATOM 675 O TRP A 47 0.515 2.922 4.707 1.00 0.00 O ATOM 676 CB TRP A 47 0.645 -0.285 5.133 1.00 0.00 C ATOM 677 CG TRP A 47 -0.698 0.220 5.663 1.00 0.00 C ATOM 678 CD1 TRP A 47 -1.111 0.287 6.936 1.00 0.00 C ATOM 679 CD2 TRP A 47 -1.795 0.731 4.877 1.00 0.00 C ATOM 680 NE1 TRP A 47 -2.389 0.800 7.027 1.00 0.00 N ATOM 681 CE2 TRP A 47 -2.818 1.079 5.735 1.00 0.00 C ATOM 682 CE3 TRP A 47 -1.919 0.893 3.485 1.00 0.00 C ATOM 683 CZ2 TRP A 47 -4.038 1.611 5.299 1.00 0.00 C ATOM 684 CZ3 TRP A 47 -3.144 1.426 3.066 1.00 0.00 C ATOM 685 CH2 TRP A 47 -4.184 1.781 3.917 1.00 0.00 C ATOM 0 H TRP A 47 3.049 -0.525 4.560 1.00 0.00 H new ATOM 0 HA TRP A 47 0.843 0.783 3.334 1.00 0.00 H new ATOM 0 HB2 TRP A 47 0.476 -1.188 4.546 1.00 0.00 H new ATOM 0 HB3 TRP A 47 1.274 -0.566 5.977 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -0.518 -0.022 7.784 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -2.921 0.947 7.885 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -1.132 0.627 2.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -4.824 1.876 5.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.291 1.572 2.006 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.100 2.186 3.514 1.00 0.00 H new ATOM 696 N CYS A 48 2.513 2.387 5.621 1.00 0.00 N ATOM 697 CA CYS A 48 2.686 3.675 6.271 1.00 0.00 C ATOM 698 C CYS A 48 2.900 4.735 5.190 1.00 0.00 C ATOM 699 O CYS A 48 2.389 5.849 5.296 1.00 0.00 O ATOM 700 CB CYS A 48 3.834 3.649 7.281 1.00 0.00 C ATOM 701 SG CYS A 48 3.444 2.493 8.645 1.00 0.00 S ATOM 0 H CYS A 48 3.274 1.726 5.775 1.00 0.00 H new ATOM 0 HA CYS A 48 1.791 3.919 6.844 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.756 3.343 6.787 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.002 4.650 7.679 1.00 0.00 H new ATOM 0 HG CYS A 48 3.220 1.308 8.159 1.00 0.00 H new ATOM 707 N LEU A 49 3.658 4.351 4.172 1.00 0.00 N ATOM 708 CA LEU A 49 3.946 5.255 3.071 1.00 0.00 C ATOM 709 C LEU A 49 2.642 5.617 2.359 1.00 0.00 C ATOM 710 O LEU A 49 2.231 6.776 2.360 1.00 0.00 O ATOM 711 CB LEU A 49 5.005 4.651 2.146 1.00 0.00 C ATOM 712 CG LEU A 49 6.439 4.644 2.682 1.00 0.00 C ATOM 713 CD1 LEU A 49 7.335 3.735 1.839 1.00 0.00 C ATOM 714 CD2 LEU A 49 6.994 6.066 2.780 1.00 0.00 C ATOM 0 H LEU A 49 4.081 3.427 4.087 1.00 0.00 H new ATOM 0 HA LEU A 49 4.374 6.185 3.444 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.718 3.624 1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.993 5.201 1.205 1.00 0.00 H new ATOM 0 HG LEU A 49 6.425 4.234 3.692 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.348 3.748 2.241 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.947 2.717 1.865 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.349 4.092 0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.014 6.033 3.163 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.993 6.526 1.792 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.372 6.654 3.455 1.00 0.00 H new ATOM 726 N VAL A 50 2.027 4.604 1.767 1.00 0.00 N ATOM 727 CA VAL A 50 0.778 4.801 1.052 1.00 0.00 C ATOM 728 C VAL A 50 -0.153 5.677 1.893 1.00 0.00 C ATOM 729 O VAL A 50 -0.958 6.432 1.351 1.00 0.00 O ATOM 730 CB VAL A 50 0.162 3.447 0.693 1.00 0.00 C ATOM 731 CG1 VAL A 50 0.928 2.783 -0.453 1.00 0.00 C ATOM 732 CG2 VAL A 50 0.100 2.531 1.916 1.00 0.00 C ATOM 0 H VAL A 50 2.371 3.644 1.768 1.00 0.00 H new ATOM 0 HA VAL A 50 0.954 5.323 0.111 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.859 3.622 0.355 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.470 1.822 -0.688 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.896 3.426 -1.333 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.965 2.627 -0.155 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.342 1.576 1.633 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.107 2.366 2.298 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.510 2.998 2.690 1.00 0.00 H new ATOM 742 N ARG A 51 -0.012 5.547 3.204 1.00 0.00 N ATOM 743 CA ARG A 51 -0.830 6.318 4.124 1.00 0.00 C ATOM 744 C ARG A 51 -0.255 7.725 4.295 1.00 0.00 C ATOM 745 O ARG A 51 -1.003 8.692 4.438 1.00 0.00 O ATOM 746 CB ARG A 51 -0.909 5.637 5.493 1.00 0.00 C ATOM 747 CG ARG A 51 -2.118 4.702 5.571 1.00 0.00 C ATOM 748 CD ARG A 51 -2.145 3.953 6.904 1.00 0.00 C ATOM 749 NE ARG A 51 -2.251 4.914 8.025 1.00 0.00 N ATOM 750 CZ ARG A 51 -2.714 4.600 9.242 1.00 0.00 C ATOM 751 NH1 ARG A 51 -3.115 3.349 9.505 1.00 0.00 N ATOM 752 NH2 ARG A 51 -2.775 5.539 10.198 1.00 0.00 N ATOM 0 H ARG A 51 0.656 4.919 3.651 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.833 6.381 3.703 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.005 5.072 5.675 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.978 6.393 6.276 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.036 5.278 5.455 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.084 3.987 4.749 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.988 3.263 6.925 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.241 3.354 7.012 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.953 5.875 7.860 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.068 2.635 8.778 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.467 3.111 10.432 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.469 6.491 9.998 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.127 5.301 11.125 1.00 0.00 H new ATOM 766 N SER A 52 1.068 7.796 4.275 1.00 0.00 N ATOM 767 CA SER A 52 1.751 9.069 4.426 1.00 0.00 C ATOM 768 C SER A 52 0.995 10.162 3.668 1.00 0.00 C ATOM 769 O SER A 52 0.222 9.870 2.756 1.00 0.00 O ATOM 770 CB SER A 52 3.196 8.981 3.928 1.00 0.00 C ATOM 771 OG SER A 52 3.975 10.097 4.349 1.00 0.00 O ATOM 0 H SER A 52 1.685 6.992 4.156 1.00 0.00 H new ATOM 0 HA SER A 52 1.774 9.321 5.486 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.651 8.062 4.297 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.201 8.925 2.839 1.00 0.00 H new ATOM 0 HG SER A 52 4.891 10.002 4.013 1.00 0.00 H new ATOM 777 N LYS A 53 1.244 11.398 4.073 1.00 0.00 N ATOM 778 CA LYS A 53 0.595 12.537 3.444 1.00 0.00 C ATOM 779 C LYS A 53 1.188 12.749 2.050 1.00 0.00 C ATOM 780 O LYS A 53 0.464 13.062 1.105 1.00 0.00 O ATOM 781 CB LYS A 53 0.686 13.771 4.345 1.00 0.00 C ATOM 782 CG LYS A 53 2.145 14.132 4.635 1.00 0.00 C ATOM 783 CD LYS A 53 2.337 14.498 6.108 1.00 0.00 C ATOM 784 CE LYS A 53 2.624 15.993 6.268 1.00 0.00 C ATOM 785 NZ LYS A 53 1.733 16.584 7.291 1.00 0.00 N ATOM 0 H LYS A 53 1.886 11.637 4.829 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.470 12.345 3.313 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.188 14.613 3.865 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.161 13.581 5.281 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.789 13.291 4.379 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.448 14.969 4.006 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.443 14.233 6.672 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.160 13.919 6.526 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.665 16.141 6.555 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.480 16.501 5.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.940 17.599 7.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.742 16.459 7.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.890 16.110 8.203 1.00 0.00 H new ATOM 799 N TYR A 54 2.498 12.571 1.965 1.00 0.00 N ATOM 800 CA TYR A 54 3.195 12.739 0.701 1.00 0.00 C ATOM 801 C TYR A 54 2.861 11.601 -0.266 1.00 0.00 C ATOM 802 O TYR A 54 2.558 10.487 0.161 1.00 0.00 O ATOM 803 CB TYR A 54 4.688 12.687 1.034 1.00 0.00 C ATOM 804 CG TYR A 54 5.281 14.036 1.445 1.00 0.00 C ATOM 805 CD1 TYR A 54 5.086 14.514 2.725 1.00 0.00 C ATOM 806 CD2 TYR A 54 6.011 14.775 0.536 1.00 0.00 C ATOM 807 CE1 TYR A 54 5.645 15.783 3.112 1.00 0.00 C ATOM 808 CE2 TYR A 54 6.570 16.044 0.923 1.00 0.00 C ATOM 809 CZ TYR A 54 6.359 16.486 2.192 1.00 0.00 C ATOM 810 OH TYR A 54 6.886 17.685 2.557 1.00 0.00 O ATOM 0 H TYR A 54 3.095 12.312 2.750 1.00 0.00 H new ATOM 0 HA TYR A 54 2.904 13.675 0.224 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.845 11.972 1.841 1.00 0.00 H new ATOM 0 HB3 TYR A 54 5.231 12.312 0.166 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.514 13.936 3.436 1.00 0.00 H new ATOM 0 HD2 TYR A 54 6.163 14.401 -0.466 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.501 16.168 4.111 1.00 0.00 H new ATOM 0 HE2 TYR A 54 7.144 16.632 0.222 1.00 0.00 H new ATOM 0 HH TYR A 54 7.371 18.073 1.799 1.00 0.00 H new ATOM 820 N ASN A 55 2.925 11.920 -1.549 1.00 0.00 N ATOM 821 CA ASN A 55 2.632 10.939 -2.580 1.00 0.00 C ATOM 822 C ASN A 55 3.920 10.207 -2.962 1.00 0.00 C ATOM 823 O ASN A 55 3.917 8.991 -3.145 1.00 0.00 O ATOM 824 CB ASN A 55 2.080 11.610 -3.839 1.00 0.00 C ATOM 825 CG ASN A 55 3.106 12.570 -4.445 1.00 0.00 C ATOM 826 OD1 ASN A 55 4.047 12.173 -5.113 1.00 0.00 O ATOM 827 ND2 ASN A 55 2.873 13.851 -4.176 1.00 0.00 N ATOM 0 H ASN A 55 3.176 12.845 -1.899 1.00 0.00 H new ATOM 0 HA ASN A 55 1.888 10.247 -2.184 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.811 10.850 -4.572 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.168 12.154 -3.595 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.501 14.570 -4.536 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.066 14.115 -3.610 1.00 0.00 H new ATOM 834 N GLU A 56 4.992 10.980 -3.073 1.00 0.00 N ATOM 835 CA GLU A 56 6.285 10.420 -3.429 1.00 0.00 C ATOM 836 C GLU A 56 6.583 9.186 -2.576 1.00 0.00 C ATOM 837 O GLU A 56 7.308 8.290 -3.006 1.00 0.00 O ATOM 838 CB GLU A 56 7.393 11.465 -3.289 1.00 0.00 C ATOM 839 CG GLU A 56 7.566 12.260 -4.584 1.00 0.00 C ATOM 840 CD GLU A 56 8.778 13.189 -4.499 1.00 0.00 C ATOM 841 OE1 GLU A 56 9.905 12.668 -4.647 1.00 0.00 O ATOM 842 OE2 GLU A 56 8.551 14.400 -4.290 1.00 0.00 O ATOM 0 H GLU A 56 4.991 11.989 -2.923 1.00 0.00 H new ATOM 0 HA GLU A 56 6.250 10.114 -4.475 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.155 12.144 -2.470 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.331 10.973 -3.033 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.687 11.574 -5.423 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.667 12.846 -4.778 1.00 0.00 H new ATOM 849 N ASP A 57 6.009 9.179 -1.382 1.00 0.00 N ATOM 850 CA ASP A 57 6.203 8.069 -0.465 1.00 0.00 C ATOM 851 C ASP A 57 5.285 6.913 -0.865 1.00 0.00 C ATOM 852 O ASP A 57 5.696 5.754 -0.850 1.00 0.00 O ATOM 853 CB ASP A 57 5.857 8.473 0.970 1.00 0.00 C ATOM 854 CG ASP A 57 6.964 9.219 1.717 1.00 0.00 C ATOM 855 OD1 ASP A 57 7.501 10.180 1.126 1.00 0.00 O ATOM 856 OD2 ASP A 57 7.249 8.811 2.864 1.00 0.00 O ATOM 0 H ASP A 57 5.409 9.925 -1.028 1.00 0.00 H new ATOM 0 HA ASP A 57 7.251 7.772 -0.514 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.966 9.101 0.950 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.601 7.575 1.533 1.00 0.00 H new ATOM 861 N ILE A 58 4.057 7.270 -1.214 1.00 0.00 N ATOM 862 CA ILE A 58 3.077 6.276 -1.619 1.00 0.00 C ATOM 863 C ILE A 58 3.737 5.265 -2.557 1.00 0.00 C ATOM 864 O ILE A 58 3.578 4.057 -2.386 1.00 0.00 O ATOM 865 CB ILE A 58 1.842 6.955 -2.217 1.00 0.00 C ATOM 866 CG1 ILE A 58 1.140 7.832 -1.177 1.00 0.00 C ATOM 867 CG2 ILE A 58 0.893 5.924 -2.831 1.00 0.00 C ATOM 868 CD1 ILE A 58 0.046 8.681 -1.826 1.00 0.00 C ATOM 0 H ILE A 58 3.719 8.232 -1.225 1.00 0.00 H new ATOM 0 HA ILE A 58 2.720 5.719 -0.753 1.00 0.00 H new ATOM 0 HB ILE A 58 2.170 7.611 -3.023 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.705 7.204 -0.400 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.869 8.481 -0.691 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.024 6.433 -3.249 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.409 5.380 -3.622 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.568 5.224 -2.061 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.437 9.295 -1.066 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.488 9.326 -2.586 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.694 8.029 -2.290 1.00 0.00 H new ATOM 880 N ARG A 59 4.466 5.796 -3.528 1.00 0.00 N ATOM 881 CA ARG A 59 5.153 4.955 -4.493 1.00 0.00 C ATOM 882 C ARG A 59 6.075 3.966 -3.776 1.00 0.00 C ATOM 883 O ARG A 59 6.059 2.772 -4.071 1.00 0.00 O ATOM 884 CB ARG A 59 5.981 5.797 -5.468 1.00 0.00 C ATOM 885 CG ARG A 59 6.268 5.021 -6.754 1.00 0.00 C ATOM 886 CD ARG A 59 6.453 5.973 -7.938 1.00 0.00 C ATOM 887 NE ARG A 59 5.679 5.487 -9.104 1.00 0.00 N ATOM 888 CZ ARG A 59 6.005 4.405 -9.823 1.00 0.00 C ATOM 889 NH1 ARG A 59 7.091 3.689 -9.502 1.00 0.00 N ATOM 890 NH2 ARG A 59 5.245 4.038 -10.864 1.00 0.00 N ATOM 0 H ARG A 59 4.596 6.798 -3.667 1.00 0.00 H new ATOM 0 HA ARG A 59 4.395 4.409 -5.054 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.446 6.716 -5.705 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.920 6.087 -4.997 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.165 4.416 -6.625 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.447 4.334 -6.960 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.123 6.975 -7.664 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.510 6.044 -8.196 1.00 0.00 H new ATOM 0 HE ARG A 59 4.846 6.009 -9.376 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.670 3.968 -8.710 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.339 2.865 -10.050 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.418 4.583 -11.109 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.493 3.214 -11.411 1.00 0.00 H new ATOM 904 N ARG A 60 6.854 4.499 -2.846 1.00 0.00 N ATOM 905 CA ARG A 60 7.779 3.678 -2.085 1.00 0.00 C ATOM 906 C ARG A 60 7.014 2.642 -1.260 1.00 0.00 C ATOM 907 O ARG A 60 7.608 1.706 -0.726 1.00 0.00 O ATOM 908 CB ARG A 60 8.634 4.535 -1.148 1.00 0.00 C ATOM 909 CG ARG A 60 9.817 5.152 -1.897 1.00 0.00 C ATOM 910 CD ARG A 60 9.877 6.665 -1.676 1.00 0.00 C ATOM 911 NE ARG A 60 11.112 7.216 -2.278 1.00 0.00 N ATOM 912 CZ ARG A 60 11.266 7.462 -3.586 1.00 0.00 C ATOM 913 NH1 ARG A 60 10.263 7.209 -4.438 1.00 0.00 N ATOM 914 NH2 ARG A 60 12.423 7.962 -4.042 1.00 0.00 N ATOM 0 H ARG A 60 6.863 5.490 -2.603 1.00 0.00 H new ATOM 0 HA ARG A 60 8.433 3.172 -2.795 1.00 0.00 H new ATOM 0 HB2 ARG A 60 8.022 5.325 -0.713 1.00 0.00 H new ATOM 0 HB3 ARG A 60 9.000 3.924 -0.323 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.746 4.694 -1.557 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.728 4.940 -2.962 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.003 7.141 -2.120 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.853 6.886 -0.609 1.00 0.00 H new ATOM 0 HE ARG A 60 11.895 7.421 -1.658 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.382 6.829 -4.091 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.380 7.396 -5.434 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.186 8.155 -3.393 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.540 8.149 -5.038 1.00 0.00 H new ATOM 928 N GLY A 61 5.707 2.843 -1.181 1.00 0.00 N ATOM 929 CA GLY A 61 4.854 1.937 -0.429 1.00 0.00 C ATOM 930 C GLY A 61 4.298 0.834 -1.332 1.00 0.00 C ATOM 931 O GLY A 61 4.266 -0.332 -0.943 1.00 0.00 O ATOM 0 H GLY A 61 5.217 3.620 -1.625 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.421 1.492 0.388 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.032 2.494 0.020 1.00 0.00 H new ATOM 935 N ILE A 62 3.873 1.241 -2.518 1.00 0.00 N ATOM 936 CA ILE A 62 3.320 0.302 -3.479 1.00 0.00 C ATOM 937 C ILE A 62 4.353 -0.787 -3.773 1.00 0.00 C ATOM 938 O ILE A 62 4.088 -1.971 -3.567 1.00 0.00 O ATOM 939 CB ILE A 62 2.829 1.038 -4.727 1.00 0.00 C ATOM 940 CG1 ILE A 62 1.756 2.068 -4.370 1.00 0.00 C ATOM 941 CG2 ILE A 62 2.346 0.051 -5.791 1.00 0.00 C ATOM 942 CD1 ILE A 62 1.250 2.791 -5.621 1.00 0.00 C ATOM 0 H ILE A 62 3.900 2.210 -2.836 1.00 0.00 H new ATOM 0 HA ILE A 62 2.442 -0.194 -3.065 1.00 0.00 H new ATOM 0 HB ILE A 62 3.670 1.585 -5.154 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.923 1.573 -3.870 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.164 2.794 -3.666 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.002 0.600 -6.668 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.166 -0.609 -6.075 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.525 -0.543 -5.390 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.488 3.517 -5.338 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.080 3.306 -6.105 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.821 2.065 -6.312 1.00 0.00 H new ATOM 954 N VAL A 63 5.509 -0.349 -4.250 1.00 0.00 N ATOM 955 CA VAL A 63 6.582 -1.272 -4.575 1.00 0.00 C ATOM 956 C VAL A 63 6.556 -2.444 -3.592 1.00 0.00 C ATOM 957 O VAL A 63 6.339 -3.588 -3.989 1.00 0.00 O ATOM 958 CB VAL A 63 7.922 -0.533 -4.589 1.00 0.00 C ATOM 959 CG1 VAL A 63 7.994 0.493 -3.456 1.00 0.00 C ATOM 960 CG2 VAL A 63 9.091 -1.516 -4.512 1.00 0.00 C ATOM 0 H VAL A 63 5.726 0.633 -4.419 1.00 0.00 H new ATOM 0 HA VAL A 63 6.442 -1.683 -5.575 1.00 0.00 H new ATOM 0 HB VAL A 63 7.998 0.005 -5.534 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.956 1.004 -3.489 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.192 1.222 -3.573 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.885 -0.015 -2.498 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.031 -0.965 -4.524 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.020 -2.094 -3.590 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.056 -2.191 -5.367 1.00 0.00 H new ATOM 970 N LEU A 64 6.781 -2.120 -2.327 1.00 0.00 N ATOM 971 CA LEU A 64 6.787 -3.132 -1.285 1.00 0.00 C ATOM 972 C LEU A 64 5.487 -3.936 -1.355 1.00 0.00 C ATOM 973 O LEU A 64 5.515 -5.166 -1.390 1.00 0.00 O ATOM 974 CB LEU A 64 7.041 -2.491 0.081 1.00 0.00 C ATOM 975 CG LEU A 64 7.939 -1.253 0.085 1.00 0.00 C ATOM 976 CD1 LEU A 64 8.287 -0.833 1.515 1.00 0.00 C ATOM 977 CD2 LEU A 64 9.189 -1.479 -0.767 1.00 0.00 C ATOM 0 H LEU A 64 6.961 -1.171 -2.000 1.00 0.00 H new ATOM 0 HA LEU A 64 7.606 -3.835 -1.439 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.080 -2.219 0.517 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.487 -3.241 0.735 1.00 0.00 H new ATOM 0 HG LEU A 64 7.387 -0.429 -0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.926 0.049 1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.371 -0.602 2.059 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.812 -1.647 2.016 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.810 -0.583 -0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.754 -2.321 -0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.895 -1.694 -1.794 1.00 0.00 H new ATOM 989 N LEU A 65 4.379 -3.211 -1.371 1.00 0.00 N ATOM 990 CA LEU A 65 3.071 -3.841 -1.437 1.00 0.00 C ATOM 991 C LEU A 65 3.033 -4.803 -2.627 1.00 0.00 C ATOM 992 O LEU A 65 2.588 -5.942 -2.494 1.00 0.00 O ATOM 993 CB LEU A 65 1.967 -2.783 -1.465 1.00 0.00 C ATOM 994 CG LEU A 65 1.054 -2.734 -0.238 1.00 0.00 C ATOM 995 CD1 LEU A 65 1.836 -3.045 1.040 1.00 0.00 C ATOM 996 CD2 LEU A 65 0.324 -1.392 -0.151 1.00 0.00 C ATOM 0 H LEU A 65 4.360 -2.192 -1.339 1.00 0.00 H new ATOM 0 HA LEU A 65 2.888 -4.434 -0.541 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.432 -1.805 -1.587 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.349 -2.954 -2.346 1.00 0.00 H new ATOM 0 HG LEU A 65 0.294 -3.508 -0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.164 -3.004 1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.270 -4.042 0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.632 -2.311 1.167 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.318 -1.384 0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.053 -0.585 -0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.284 -1.250 -1.045 1.00 0.00 H new ATOM 1008 N GLU A 66 3.504 -4.309 -3.761 1.00 0.00 N ATOM 1009 CA GLU A 66 3.530 -5.109 -4.973 1.00 0.00 C ATOM 1010 C GLU A 66 4.586 -6.210 -4.861 1.00 0.00 C ATOM 1011 O GLU A 66 4.575 -7.168 -5.633 1.00 0.00 O ATOM 1012 CB GLU A 66 3.779 -4.234 -6.204 1.00 0.00 C ATOM 1013 CG GLU A 66 2.503 -3.501 -6.623 1.00 0.00 C ATOM 1014 CD GLU A 66 2.708 -2.752 -7.940 1.00 0.00 C ATOM 1015 OE1 GLU A 66 2.799 -3.443 -8.978 1.00 0.00 O ATOM 1016 OE2 GLU A 66 2.768 -1.505 -7.881 1.00 0.00 O ATOM 0 H GLU A 66 3.871 -3.363 -3.867 1.00 0.00 H new ATOM 0 HA GLU A 66 2.554 -5.579 -5.094 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.564 -3.510 -5.987 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.135 -4.852 -7.028 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.687 -4.216 -6.730 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.210 -2.798 -5.843 1.00 0.00 H new ATOM 1023 N GLU A 67 5.473 -6.037 -3.892 1.00 0.00 N ATOM 1024 CA GLU A 67 6.534 -7.004 -3.668 1.00 0.00 C ATOM 1025 C GLU A 67 6.036 -8.143 -2.775 1.00 0.00 C ATOM 1026 O GLU A 67 6.416 -9.298 -2.964 1.00 0.00 O ATOM 1027 CB GLU A 67 7.769 -6.334 -3.063 1.00 0.00 C ATOM 1028 CG GLU A 67 8.578 -5.604 -4.137 1.00 0.00 C ATOM 1029 CD GLU A 67 10.079 -5.829 -3.941 1.00 0.00 C ATOM 1030 OE1 GLU A 67 10.503 -6.995 -4.096 1.00 0.00 O ATOM 1031 OE2 GLU A 67 10.768 -4.831 -3.640 1.00 0.00 O ATOM 0 H GLU A 67 5.479 -5.242 -3.253 1.00 0.00 H new ATOM 0 HA GLU A 67 6.824 -7.424 -4.631 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.463 -5.628 -2.291 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.394 -7.085 -2.579 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.280 -5.957 -5.124 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.359 -4.537 -4.100 1.00 0.00 H new ATOM 1038 N LEU A 68 5.192 -7.778 -1.821 1.00 0.00 N ATOM 1039 CA LEU A 68 4.637 -8.754 -0.899 1.00 0.00 C ATOM 1040 C LEU A 68 3.453 -9.461 -1.563 1.00 0.00 C ATOM 1041 O LEU A 68 3.116 -10.586 -1.199 1.00 0.00 O ATOM 1042 CB LEU A 68 4.288 -8.092 0.435 1.00 0.00 C ATOM 1043 CG LEU A 68 5.416 -7.308 1.111 1.00 0.00 C ATOM 1044 CD1 LEU A 68 4.855 -6.217 2.024 1.00 0.00 C ATOM 1045 CD2 LEU A 68 6.367 -8.248 1.855 1.00 0.00 C ATOM 0 H LEU A 68 4.879 -6.820 -1.667 1.00 0.00 H new ATOM 0 HA LEU A 68 5.376 -9.520 -0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.449 -7.416 0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.947 -8.865 1.123 1.00 0.00 H new ATOM 0 HG LEU A 68 5.998 -6.809 0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.677 -5.675 2.492 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.252 -5.525 1.436 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.235 -6.672 2.796 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.159 -7.666 2.326 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.814 -8.794 2.619 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.806 -8.954 1.150 1.00 0.00 H new ATOM 1057 N LEU A 69 2.856 -8.771 -2.523 1.00 0.00 N ATOM 1058 CA LEU A 69 1.718 -9.320 -3.241 1.00 0.00 C ATOM 1059 C LEU A 69 1.963 -10.804 -3.519 1.00 0.00 C ATOM 1060 O LEU A 69 1.225 -11.661 -3.035 1.00 0.00 O ATOM 1061 CB LEU A 69 1.430 -8.497 -4.498 1.00 0.00 C ATOM 1062 CG LEU A 69 0.126 -7.699 -4.494 1.00 0.00 C ATOM 1063 CD1 LEU A 69 -1.069 -8.604 -4.190 1.00 0.00 C ATOM 1064 CD2 LEU A 69 0.209 -6.516 -3.527 1.00 0.00 C ATOM 0 H LEU A 69 3.138 -7.837 -2.821 1.00 0.00 H new ATOM 0 HA LEU A 69 0.816 -9.255 -2.632 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.257 -7.803 -4.651 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.417 -9.171 -5.354 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.026 -7.288 -5.492 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.984 -8.012 -4.193 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.138 -9.383 -4.950 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.938 -9.063 -3.210 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.732 -5.966 -3.544 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.396 -6.883 -2.518 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.021 -5.855 -3.829 1.00 0.00 H new ATOM 1076 N PRO A 70 3.029 -11.070 -4.321 1.00 0.00 N ATOM 1077 CA PRO A 70 3.381 -12.437 -4.670 1.00 0.00 C ATOM 1078 C PRO A 70 4.044 -13.150 -3.491 1.00 0.00 C ATOM 1079 O PRO A 70 3.963 -14.372 -3.374 1.00 0.00 O ATOM 1080 CB PRO A 70 4.293 -12.311 -5.878 1.00 0.00 C ATOM 1081 CG PRO A 70 4.792 -10.875 -5.877 1.00 0.00 C ATOM 1082 CD PRO A 70 3.926 -10.082 -4.912 1.00 0.00 C ATOM 0 HA PRO A 70 2.511 -13.049 -4.907 1.00 0.00 H new ATOM 0 HB2 PRO A 70 5.124 -13.013 -5.814 1.00 0.00 H new ATOM 0 HB3 PRO A 70 3.755 -12.537 -6.799 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.838 -10.834 -5.573 1.00 0.00 H new ATOM 0 HG3 PRO A 70 4.735 -10.450 -6.879 1.00 0.00 H new ATOM 0 HD2 PRO A 70 4.531 -9.590 -4.150 1.00 0.00 H new ATOM 0 HD3 PRO A 70 3.369 -9.301 -5.430 1.00 0.00 H new ATOM 1090 N LYS A 71 4.685 -12.357 -2.645 1.00 0.00 N ATOM 1091 CA LYS A 71 5.363 -12.897 -1.479 1.00 0.00 C ATOM 1092 C LYS A 71 4.416 -12.853 -0.278 1.00 0.00 C ATOM 1093 O LYS A 71 4.814 -12.462 0.818 1.00 0.00 O ATOM 1094 CB LYS A 71 6.688 -12.170 -1.243 1.00 0.00 C ATOM 1095 CG LYS A 71 7.580 -12.240 -2.485 1.00 0.00 C ATOM 1096 CD LYS A 71 8.998 -11.757 -2.170 1.00 0.00 C ATOM 1097 CE LYS A 71 9.989 -12.922 -2.183 1.00 0.00 C ATOM 1098 NZ LYS A 71 10.182 -13.456 -0.816 1.00 0.00 N ATOM 0 H LYS A 71 4.749 -11.344 -2.744 1.00 0.00 H new ATOM 0 HA LYS A 71 5.625 -13.942 -1.642 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.495 -11.128 -0.988 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.205 -12.616 -0.393 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.615 -13.265 -2.855 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.152 -11.629 -3.280 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.302 -11.008 -2.901 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.013 -11.273 -1.193 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.622 -13.711 -2.839 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.945 -12.589 -2.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.858 -14.246 -0.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.553 -12.705 -0.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.271 -13.792 -0.443 1.00 0.00 H new ATOM 1112 N GLY A 72 3.179 -13.261 -0.525 1.00 0.00 N ATOM 1113 CA GLY A 72 2.172 -13.272 0.522 1.00 0.00 C ATOM 1114 C GLY A 72 1.084 -14.306 0.225 1.00 0.00 C ATOM 1115 O GLY A 72 0.949 -14.762 -0.909 1.00 0.00 O ATOM 0 H GLY A 72 2.852 -13.586 -1.435 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.641 -13.497 1.480 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.724 -12.282 0.611 1.00 0.00 H new ATOM 1119 N SER A 73 0.337 -14.648 1.265 1.00 0.00 N ATOM 1120 CA SER A 73 -0.735 -15.620 1.130 1.00 0.00 C ATOM 1121 C SER A 73 -1.870 -15.033 0.287 1.00 0.00 C ATOM 1122 O SER A 73 -1.730 -13.953 -0.283 1.00 0.00 O ATOM 1123 CB SER A 73 -1.260 -16.055 2.499 1.00 0.00 C ATOM 1124 OG SER A 73 -0.963 -17.421 2.775 1.00 0.00 O ATOM 0 H SER A 73 0.453 -14.269 2.205 1.00 0.00 H new ATOM 0 HA SER A 73 -0.336 -16.502 0.628 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.821 -15.425 3.273 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.339 -15.903 2.539 1.00 0.00 H new ATOM 0 HG SER A 73 -1.313 -17.660 3.659 1.00 0.00 H new ATOM 1130 N LYS A 74 -2.969 -15.773 0.238 1.00 0.00 N ATOM 1131 CA LYS A 74 -4.127 -15.340 -0.525 1.00 0.00 C ATOM 1132 C LYS A 74 -4.951 -14.364 0.318 1.00 0.00 C ATOM 1133 O LYS A 74 -5.263 -13.262 -0.130 1.00 0.00 O ATOM 1134 CB LYS A 74 -4.923 -16.548 -1.021 1.00 0.00 C ATOM 1135 CG LYS A 74 -5.138 -16.479 -2.535 1.00 0.00 C ATOM 1136 CD LYS A 74 -4.184 -17.425 -3.267 1.00 0.00 C ATOM 1137 CE LYS A 74 -4.934 -18.638 -3.821 1.00 0.00 C ATOM 1138 NZ LYS A 74 -4.562 -19.862 -3.075 1.00 0.00 N ATOM 0 H LYS A 74 -3.081 -16.668 0.714 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.815 -14.803 -1.421 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.394 -17.466 -0.767 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.887 -16.585 -0.514 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.169 -16.741 -2.772 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.981 -15.458 -2.882 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.693 -16.893 -4.082 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.401 -17.757 -2.585 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.009 -18.473 -3.748 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.702 -18.765 -4.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.080 -20.676 -3.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.539 -20.027 -3.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.806 -19.744 -2.071 1.00 0.00 H new ATOM 1152 N GLU A 75 -5.280 -14.805 1.523 1.00 0.00 N ATOM 1153 CA GLU A 75 -6.062 -13.984 2.432 1.00 0.00 C ATOM 1154 C GLU A 75 -5.293 -12.712 2.795 1.00 0.00 C ATOM 1155 O GLU A 75 -5.863 -11.776 3.352 1.00 0.00 O ATOM 1156 CB GLU A 75 -6.445 -14.770 3.688 1.00 0.00 C ATOM 1157 CG GLU A 75 -7.927 -15.151 3.666 1.00 0.00 C ATOM 1158 CD GLU A 75 -8.462 -15.354 5.085 1.00 0.00 C ATOM 1159 OE1 GLU A 75 -8.776 -14.326 5.725 1.00 0.00 O ATOM 1160 OE2 GLU A 75 -8.545 -16.530 5.498 1.00 0.00 O ATOM 0 H GLU A 75 -5.020 -15.720 1.891 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.984 -13.696 1.927 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.835 -15.671 3.758 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.233 -14.172 4.574 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.500 -14.370 3.166 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.063 -16.065 3.088 1.00 0.00 H new ATOM 1167 N GLU A 76 -4.010 -12.720 2.462 1.00 0.00 N ATOM 1168 CA GLU A 76 -3.157 -11.579 2.745 1.00 0.00 C ATOM 1169 C GLU A 76 -3.182 -10.594 1.573 1.00 0.00 C ATOM 1170 O GLU A 76 -3.209 -9.381 1.779 1.00 0.00 O ATOM 1171 CB GLU A 76 -1.728 -12.026 3.054 1.00 0.00 C ATOM 1172 CG GLU A 76 -1.585 -12.431 4.522 1.00 0.00 C ATOM 1173 CD GLU A 76 -0.301 -11.861 5.127 1.00 0.00 C ATOM 1174 OE1 GLU A 76 0.743 -12.531 4.977 1.00 0.00 O ATOM 1175 OE2 GLU A 76 -0.393 -10.767 5.726 1.00 0.00 O ATOM 0 H GLU A 76 -3.541 -13.499 1.999 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.543 -11.072 3.629 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.460 -12.866 2.414 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.033 -11.217 2.827 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.446 -12.074 5.087 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.578 -13.518 4.604 1.00 0.00 H new ATOM 1182 N GLN A 77 -3.173 -11.152 0.373 1.00 0.00 N ATOM 1183 CA GLN A 77 -3.195 -10.338 -0.831 1.00 0.00 C ATOM 1184 C GLN A 77 -4.387 -9.379 -0.803 1.00 0.00 C ATOM 1185 O GLN A 77 -4.329 -8.295 -1.380 1.00 0.00 O ATOM 1186 CB GLN A 77 -3.226 -11.214 -2.085 1.00 0.00 C ATOM 1187 CG GLN A 77 -1.815 -11.654 -2.483 1.00 0.00 C ATOM 1188 CD GLN A 77 -1.815 -12.312 -3.863 1.00 0.00 C ATOM 1189 OE1 GLN A 77 -2.720 -12.140 -4.662 1.00 0.00 O ATOM 1190 NE2 GLN A 77 -0.750 -13.075 -4.098 1.00 0.00 N ATOM 0 H GLN A 77 -3.151 -12.158 0.207 1.00 0.00 H new ATOM 0 HA GLN A 77 -2.279 -9.747 -0.863 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -3.847 -12.092 -1.904 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -3.684 -10.663 -2.906 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.149 -10.791 -2.488 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -1.426 -12.353 -1.743 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.028 -13.176 -3.385 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.656 -13.558 -4.991 1.00 0.00 H new ATOM 1199 N ARG A 78 -5.439 -9.814 -0.124 1.00 0.00 N ATOM 1200 CA ARG A 78 -6.642 -9.007 -0.012 1.00 0.00 C ATOM 1201 C ARG A 78 -6.351 -7.724 0.768 1.00 0.00 C ATOM 1202 O ARG A 78 -6.929 -6.676 0.484 1.00 0.00 O ATOM 1203 CB ARG A 78 -7.760 -9.781 0.690 1.00 0.00 C ATOM 1204 CG ARG A 78 -8.396 -10.804 -0.253 1.00 0.00 C ATOM 1205 CD ARG A 78 -7.672 -12.149 -0.172 1.00 0.00 C ATOM 1206 NE ARG A 78 -8.655 -13.243 -0.006 1.00 0.00 N ATOM 1207 CZ ARG A 78 -9.279 -13.852 -1.024 1.00 0.00 C ATOM 1208 NH1 ARG A 78 -9.028 -13.476 -2.285 1.00 0.00 N ATOM 1209 NH2 ARG A 78 -10.156 -14.835 -0.780 1.00 0.00 N ATOM 0 H ARG A 78 -5.483 -10.714 0.354 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.968 -8.755 -1.021 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.360 -10.290 1.567 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.521 -9.086 1.044 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.447 -10.937 0.004 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.363 -10.430 -1.276 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.085 -12.310 -1.076 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.974 -12.146 0.665 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.871 -13.553 0.942 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.362 -12.726 -2.471 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.503 -13.940 -3.060 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.349 -15.120 0.180 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.631 -15.299 -1.555 1.00 0.00 H new ATOM 1223 N ASP A 79 -5.454 -7.848 1.736 1.00 0.00 N ATOM 1224 CA ASP A 79 -5.079 -6.711 2.559 1.00 0.00 C ATOM 1225 C ASP A 79 -4.117 -5.816 1.775 1.00 0.00 C ATOM 1226 O ASP A 79 -4.054 -4.610 2.011 1.00 0.00 O ATOM 1227 CB ASP A 79 -4.370 -7.165 3.836 1.00 0.00 C ATOM 1228 CG ASP A 79 -4.096 -6.056 4.853 1.00 0.00 C ATOM 1229 OD1 ASP A 79 -4.694 -4.971 4.684 1.00 0.00 O ATOM 1230 OD2 ASP A 79 -3.297 -6.318 5.778 1.00 0.00 O ATOM 0 H ASP A 79 -4.976 -8.719 1.968 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.988 -6.172 2.825 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.975 -7.935 4.315 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.422 -7.628 3.562 1.00 0.00 H new ATOM 1235 N TYR A 80 -3.390 -6.440 0.861 1.00 0.00 N ATOM 1236 CA TYR A 80 -2.434 -5.716 0.042 1.00 0.00 C ATOM 1237 C TYR A 80 -3.147 -4.852 -1.001 1.00 0.00 C ATOM 1238 O TYR A 80 -3.173 -3.628 -0.886 1.00 0.00 O ATOM 1239 CB TYR A 80 -1.603 -6.779 -0.678 1.00 0.00 C ATOM 1240 CG TYR A 80 -0.653 -7.552 0.239 1.00 0.00 C ATOM 1241 CD1 TYR A 80 -0.304 -7.031 1.469 1.00 0.00 C ATOM 1242 CD2 TYR A 80 -0.145 -8.771 -0.162 1.00 0.00 C ATOM 1243 CE1 TYR A 80 0.591 -7.758 2.333 1.00 0.00 C ATOM 1244 CE2 TYR A 80 0.749 -9.499 0.701 1.00 0.00 C ATOM 1245 CZ TYR A 80 1.072 -8.956 1.906 1.00 0.00 C ATOM 1246 OH TYR A 80 1.916 -9.644 2.721 1.00 0.00 O ATOM 0 H TYR A 80 -3.444 -7.440 0.669 1.00 0.00 H new ATOM 0 HA TYR A 80 -1.825 -5.056 0.659 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.277 -7.485 -1.164 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.022 -6.299 -1.465 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.702 -6.078 1.784 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -0.418 -9.179 -1.124 1.00 0.00 H new ATOM 0 HE1 TYR A 80 0.873 -7.361 3.297 1.00 0.00 H new ATOM 0 HE2 TYR A 80 1.154 -10.454 0.399 1.00 0.00 H new ATOM 0 HH TYR A 80 2.179 -10.482 2.287 1.00 0.00 H new ATOM 1256 N VAL A 81 -3.710 -5.524 -1.995 1.00 0.00 N ATOM 1257 CA VAL A 81 -4.422 -4.833 -3.056 1.00 0.00 C ATOM 1258 C VAL A 81 -5.195 -3.655 -2.463 1.00 0.00 C ATOM 1259 O VAL A 81 -5.072 -2.525 -2.935 1.00 0.00 O ATOM 1260 CB VAL A 81 -5.318 -5.818 -3.811 1.00 0.00 C ATOM 1261 CG1 VAL A 81 -6.069 -5.117 -4.946 1.00 0.00 C ATOM 1262 CG2 VAL A 81 -4.509 -7.003 -4.339 1.00 0.00 C ATOM 0 H VAL A 81 -3.687 -6.540 -2.088 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.721 -4.426 -3.785 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.057 -6.204 -3.108 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -6.698 -5.839 -5.466 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.692 -4.323 -4.534 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.352 -4.689 -5.647 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.170 -7.687 -4.871 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.737 -6.642 -5.019 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.042 -7.526 -3.504 1.00 0.00 H new ATOM 1272 N PHE A 82 -5.976 -3.957 -1.436 1.00 0.00 N ATOM 1273 CA PHE A 82 -6.769 -2.936 -0.773 1.00 0.00 C ATOM 1274 C PHE A 82 -5.983 -1.630 -0.641 1.00 0.00 C ATOM 1275 O PHE A 82 -6.540 -0.547 -0.809 1.00 0.00 O ATOM 1276 CB PHE A 82 -7.099 -3.463 0.625 1.00 0.00 C ATOM 1277 CG PHE A 82 -7.870 -2.471 1.498 1.00 0.00 C ATOM 1278 CD1 PHE A 82 -8.779 -1.633 0.934 1.00 0.00 C ATOM 1279 CD2 PHE A 82 -7.647 -2.429 2.839 1.00 0.00 C ATOM 1280 CE1 PHE A 82 -9.495 -0.712 1.744 1.00 0.00 C ATOM 1281 CE2 PHE A 82 -8.363 -1.509 3.650 1.00 0.00 C ATOM 1282 CZ PHE A 82 -9.272 -0.670 3.085 1.00 0.00 C ATOM 0 H PHE A 82 -6.076 -4.894 -1.047 1.00 0.00 H new ATOM 0 HA PHE A 82 -7.669 -2.730 -1.353 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.684 -4.378 0.529 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.171 -3.730 1.130 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -8.957 -1.667 -0.131 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -6.925 -3.096 3.287 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.216 -0.045 1.295 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -8.186 -1.476 4.715 1.00 0.00 H new ATOM 0 HZ PHE A 82 -9.817 0.030 3.701 1.00 0.00 H new ATOM 1292 N TYR A 83 -4.701 -1.776 -0.341 1.00 0.00 N ATOM 1293 CA TYR A 83 -3.832 -0.622 -0.185 1.00 0.00 C ATOM 1294 C TYR A 83 -3.294 -0.153 -1.538 1.00 0.00 C ATOM 1295 O TYR A 83 -3.389 1.027 -1.873 1.00 0.00 O ATOM 1296 CB TYR A 83 -2.662 -1.090 0.682 1.00 0.00 C ATOM 1297 CG TYR A 83 -3.021 -1.292 2.156 1.00 0.00 C ATOM 1298 CD1 TYR A 83 -4.303 -1.032 2.596 1.00 0.00 C ATOM 1299 CD2 TYR A 83 -2.062 -1.734 3.045 1.00 0.00 C ATOM 1300 CE1 TYR A 83 -4.640 -1.223 3.983 1.00 0.00 C ATOM 1301 CE2 TYR A 83 -2.400 -1.925 4.431 1.00 0.00 C ATOM 1302 CZ TYR A 83 -3.672 -1.660 4.832 1.00 0.00 C ATOM 1303 OH TYR A 83 -3.991 -1.840 6.141 1.00 0.00 O ATOM 0 H TYR A 83 -4.243 -2.677 -0.202 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.376 0.211 0.261 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -2.278 -2.028 0.280 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -1.856 -0.359 0.612 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -5.053 -0.685 1.901 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -1.059 -1.936 2.701 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -5.639 -1.024 4.341 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -1.660 -2.271 5.137 1.00 0.00 H new ATOM 0 HH TYR A 83 -3.680 -1.071 6.662 1.00 0.00 H new ATOM 1313 N LEU A 84 -2.741 -1.102 -2.280 1.00 0.00 N ATOM 1314 CA LEU A 84 -2.188 -0.801 -3.590 1.00 0.00 C ATOM 1315 C LEU A 84 -3.101 0.194 -4.308 1.00 0.00 C ATOM 1316 O LEU A 84 -2.625 1.090 -5.003 1.00 0.00 O ATOM 1317 CB LEU A 84 -1.943 -2.091 -4.377 1.00 0.00 C ATOM 1318 CG LEU A 84 -0.674 -2.865 -4.016 1.00 0.00 C ATOM 1319 CD1 LEU A 84 -0.873 -3.682 -2.738 1.00 0.00 C ATOM 1320 CD2 LEU A 84 -0.212 -3.736 -5.186 1.00 0.00 C ATOM 0 H LEU A 84 -2.664 -2.079 -1.999 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.213 -0.325 -3.492 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.800 -2.749 -4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.905 -1.844 -5.438 1.00 0.00 H new ATOM 0 HG LEU A 84 0.119 -2.145 -3.817 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.045 -4.222 -2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.120 -3.013 -1.913 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.686 -4.394 -2.884 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.692 -4.276 -4.903 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.996 -4.449 -5.440 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.002 -3.104 -6.049 1.00 0.00 H new ATOM 1332 N ALA A 85 -4.398 0.003 -4.115 1.00 0.00 N ATOM 1333 CA ALA A 85 -5.382 0.873 -4.736 1.00 0.00 C ATOM 1334 C ALA A 85 -5.411 2.213 -3.999 1.00 0.00 C ATOM 1335 O ALA A 85 -5.381 3.271 -4.624 1.00 0.00 O ATOM 1336 CB ALA A 85 -6.747 0.180 -4.739 1.00 0.00 C ATOM 0 H ALA A 85 -4.790 -0.741 -3.538 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.115 1.074 -5.774 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.485 0.833 -5.205 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.681 -0.752 -5.301 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.048 -0.035 -3.714 1.00 0.00 H new ATOM 1342 N VAL A 86 -5.468 2.124 -2.678 1.00 0.00 N ATOM 1343 CA VAL A 86 -5.501 3.316 -1.848 1.00 0.00 C ATOM 1344 C VAL A 86 -4.330 4.226 -2.224 1.00 0.00 C ATOM 1345 O VAL A 86 -4.509 5.429 -2.412 1.00 0.00 O ATOM 1346 CB VAL A 86 -5.502 2.924 -0.369 1.00 0.00 C ATOM 1347 CG1 VAL A 86 -5.004 4.078 0.504 1.00 0.00 C ATOM 1348 CG2 VAL A 86 -6.892 2.462 0.074 1.00 0.00 C ATOM 0 H VAL A 86 -5.492 1.244 -2.162 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.419 3.878 -2.022 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.815 2.088 -0.243 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.015 3.773 1.551 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.987 4.342 0.213 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.655 4.942 0.371 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -6.866 2.189 1.129 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.608 3.270 -0.074 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.193 1.597 -0.517 1.00 0.00 H new ATOM 1358 N GLY A 87 -3.157 3.618 -2.323 1.00 0.00 N ATOM 1359 CA GLY A 87 -1.957 4.358 -2.674 1.00 0.00 C ATOM 1360 C GLY A 87 -1.990 4.792 -4.140 1.00 0.00 C ATOM 1361 O GLY A 87 -1.719 5.950 -4.455 1.00 0.00 O ATOM 0 H GLY A 87 -3.012 2.621 -2.166 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -1.866 5.235 -2.033 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.078 3.739 -2.494 1.00 0.00 H new ATOM 1365 N ASN A 88 -2.322 3.839 -4.999 1.00 0.00 N ATOM 1366 CA ASN A 88 -2.393 4.108 -6.425 1.00 0.00 C ATOM 1367 C ASN A 88 -3.376 5.254 -6.675 1.00 0.00 C ATOM 1368 O ASN A 88 -3.070 6.189 -7.414 1.00 0.00 O ATOM 1369 CB ASN A 88 -2.892 2.883 -7.192 1.00 0.00 C ATOM 1370 CG ASN A 88 -1.722 2.009 -7.649 1.00 0.00 C ATOM 1371 OD1 ASN A 88 -0.761 2.473 -8.242 1.00 0.00 O ATOM 1372 ND2 ASN A 88 -1.855 0.722 -7.343 1.00 0.00 N ATOM 0 H ASN A 88 -2.545 2.879 -4.734 1.00 0.00 H new ATOM 0 HA ASN A 88 -1.392 4.367 -6.770 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.560 2.300 -6.558 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.472 3.203 -8.058 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -1.127 0.057 -7.606 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -2.685 0.399 -6.845 1.00 0.00 H new ATOM 1379 N TYR A 89 -4.536 5.144 -6.044 1.00 0.00 N ATOM 1380 CA TYR A 89 -5.566 6.160 -6.190 1.00 0.00 C ATOM 1381 C TYR A 89 -5.013 7.550 -5.871 1.00 0.00 C ATOM 1382 O TYR A 89 -5.229 8.497 -6.627 1.00 0.00 O ATOM 1383 CB TYR A 89 -6.650 5.809 -5.169 1.00 0.00 C ATOM 1384 CG TYR A 89 -7.517 6.998 -4.748 1.00 0.00 C ATOM 1385 CD1 TYR A 89 -8.443 7.522 -5.626 1.00 0.00 C ATOM 1386 CD2 TYR A 89 -7.371 7.547 -3.490 1.00 0.00 C ATOM 1387 CE1 TYR A 89 -9.258 8.641 -5.230 1.00 0.00 C ATOM 1388 CE2 TYR A 89 -8.186 8.666 -3.094 1.00 0.00 C ATOM 1389 CZ TYR A 89 -9.089 9.158 -3.984 1.00 0.00 C ATOM 1390 OH TYR A 89 -9.859 10.214 -3.609 1.00 0.00 O ATOM 0 H TYR A 89 -4.786 4.368 -5.431 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.944 6.180 -7.212 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.292 5.034 -5.588 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.177 5.386 -4.283 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.557 7.093 -6.611 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.646 7.137 -2.803 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -9.987 9.060 -5.908 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -8.083 9.105 -2.113 1.00 0.00 H new ATOM 0 HH TYR A 89 -9.630 10.477 -2.693 1.00 0.00 H new ATOM 1400 N ARG A 90 -4.310 7.630 -4.750 1.00 0.00 N ATOM 1401 CA ARG A 90 -3.724 8.889 -4.323 1.00 0.00 C ATOM 1402 C ARG A 90 -2.859 9.478 -5.438 1.00 0.00 C ATOM 1403 O ARG A 90 -2.742 10.697 -5.561 1.00 0.00 O ATOM 1404 CB ARG A 90 -2.870 8.701 -3.068 1.00 0.00 C ATOM 1405 CG ARG A 90 -3.158 9.796 -2.039 1.00 0.00 C ATOM 1406 CD ARG A 90 -2.224 10.993 -2.236 1.00 0.00 C ATOM 1407 NE ARG A 90 -2.997 12.253 -2.176 1.00 0.00 N ATOM 1408 CZ ARG A 90 -2.564 13.424 -2.660 1.00 0.00 C ATOM 1409 NH1 ARG A 90 -1.360 13.505 -3.243 1.00 0.00 N ATOM 1410 NH2 ARG A 90 -3.333 14.518 -2.560 1.00 0.00 N ATOM 0 H ARG A 90 -4.133 6.843 -4.125 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.540 9.574 -4.093 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.071 7.723 -2.630 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.814 8.718 -3.337 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.195 10.120 -2.128 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.035 9.396 -1.033 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.452 10.993 -1.466 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.716 10.914 -3.197 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.918 12.228 -1.738 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -0.773 12.674 -3.318 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -1.031 14.397 -3.611 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.249 14.459 -2.115 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.002 15.409 -2.929 1.00 0.00 H new ATOM 1424 N LEU A 91 -2.272 8.585 -6.223 1.00 0.00 N ATOM 1425 CA LEU A 91 -1.419 9.002 -7.323 1.00 0.00 C ATOM 1426 C LEU A 91 -2.279 9.239 -8.566 1.00 0.00 C ATOM 1427 O LEU A 91 -1.754 9.398 -9.667 1.00 0.00 O ATOM 1428 CB LEU A 91 -0.292 7.990 -7.539 1.00 0.00 C ATOM 1429 CG LEU A 91 0.604 7.716 -6.331 1.00 0.00 C ATOM 1430 CD1 LEU A 91 1.112 6.273 -6.340 1.00 0.00 C ATOM 1431 CD2 LEU A 91 1.751 8.727 -6.257 1.00 0.00 C ATOM 0 H LEU A 91 -2.371 7.575 -6.119 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.928 9.947 -7.089 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.734 7.047 -7.860 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.334 8.343 -8.358 1.00 0.00 H new ATOM 0 HG LEU A 91 0.006 7.841 -5.428 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.747 6.105 -5.470 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.264 5.589 -6.308 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.687 6.096 -7.249 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.373 8.509 -5.389 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.355 8.659 -7.162 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.343 9.734 -6.168 1.00 0.00 H new ATOM 1443 N LYS A 92 -3.586 9.256 -8.349 1.00 0.00 N ATOM 1444 CA LYS A 92 -4.523 9.473 -9.438 1.00 0.00 C ATOM 1445 C LYS A 92 -4.459 8.287 -10.403 1.00 0.00 C ATOM 1446 O LYS A 92 -4.972 8.361 -11.518 1.00 0.00 O ATOM 1447 CB LYS A 92 -4.266 10.824 -10.106 1.00 0.00 C ATOM 1448 CG LYS A 92 -4.484 11.974 -9.121 1.00 0.00 C ATOM 1449 CD LYS A 92 -5.382 13.053 -9.726 1.00 0.00 C ATOM 1450 CE LYS A 92 -6.151 13.803 -8.636 1.00 0.00 C ATOM 1451 NZ LYS A 92 -6.934 14.912 -9.223 1.00 0.00 N ATOM 0 H LYS A 92 -4.018 9.123 -7.435 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.544 9.522 -9.058 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.246 10.856 -10.488 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.931 10.943 -10.962 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.935 11.592 -8.205 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.523 12.408 -8.846 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -4.776 13.756 -10.298 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.085 12.597 -10.423 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -6.817 13.116 -8.115 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -5.454 14.195 -7.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -7.449 15.410 -8.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -6.291 15.576 -9.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.613 14.531 -9.913 1.00 0.00 H new ATOM 1465 N GLU A 93 -3.824 7.221 -9.938 1.00 0.00 N ATOM 1466 CA GLU A 93 -3.687 6.021 -10.746 1.00 0.00 C ATOM 1467 C GLU A 93 -4.936 5.147 -10.617 1.00 0.00 C ATOM 1468 O GLU A 93 -4.872 4.041 -10.084 1.00 0.00 O ATOM 1469 CB GLU A 93 -2.429 5.240 -10.358 1.00 0.00 C ATOM 1470 CG GLU A 93 -1.167 5.959 -10.839 1.00 0.00 C ATOM 1471 CD GLU A 93 -0.928 5.710 -12.329 1.00 0.00 C ATOM 1472 OE1 GLU A 93 -1.745 6.217 -13.128 1.00 0.00 O ATOM 1473 OE2 GLU A 93 0.067 5.018 -12.636 1.00 0.00 O ATOM 0 H GLU A 93 -3.399 7.163 -9.013 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.583 6.319 -11.789 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.392 5.118 -9.276 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.469 4.240 -10.790 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.262 7.029 -10.656 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.307 5.613 -10.266 1.00 0.00 H new ATOM 1480 N TYR A 94 -6.043 5.678 -11.113 1.00 0.00 N ATOM 1481 CA TYR A 94 -7.306 4.960 -11.061 1.00 0.00 C ATOM 1482 C TYR A 94 -7.198 3.608 -11.769 1.00 0.00 C ATOM 1483 O TYR A 94 -7.541 2.575 -11.196 1.00 0.00 O ATOM 1484 CB TYR A 94 -8.319 5.832 -11.805 1.00 0.00 C ATOM 1485 CG TYR A 94 -8.302 7.303 -11.382 1.00 0.00 C ATOM 1486 CD1 TYR A 94 -7.892 7.650 -10.111 1.00 0.00 C ATOM 1487 CD2 TYR A 94 -8.699 8.280 -12.271 1.00 0.00 C ATOM 1488 CE1 TYR A 94 -7.877 9.035 -9.713 1.00 0.00 C ATOM 1489 CE2 TYR A 94 -8.684 9.665 -11.873 1.00 0.00 C ATOM 1490 CZ TYR A 94 -8.274 9.973 -10.613 1.00 0.00 C ATOM 1491 OH TYR A 94 -8.260 11.280 -10.238 1.00 0.00 O ATOM 0 H TYR A 94 -6.092 6.597 -11.553 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.597 4.771 -10.028 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -8.120 5.770 -12.875 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -9.319 5.429 -11.642 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.583 6.884 -9.415 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -9.021 8.007 -13.265 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.557 9.321 -8.722 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -8.991 10.440 -12.559 1.00 0.00 H new ATOM 0 HH TYR A 94 -9.151 11.667 -10.368 1.00 0.00 H new ATOM 1501 N GLU A 95 -6.721 3.659 -13.003 1.00 0.00 N ATOM 1502 CA GLU A 95 -6.563 2.451 -13.796 1.00 0.00 C ATOM 1503 C GLU A 95 -6.067 1.300 -12.916 1.00 0.00 C ATOM 1504 O GLU A 95 -6.788 0.329 -12.694 1.00 0.00 O ATOM 1505 CB GLU A 95 -5.618 2.688 -14.975 1.00 0.00 C ATOM 1506 CG GLU A 95 -6.280 3.560 -16.043 1.00 0.00 C ATOM 1507 CD GLU A 95 -7.471 2.839 -16.678 1.00 0.00 C ATOM 1508 OE1 GLU A 95 -7.338 1.617 -16.908 1.00 0.00 O ATOM 1509 OE2 GLU A 95 -8.487 3.525 -16.919 1.00 0.00 O ATOM 0 H GLU A 95 -6.438 4.518 -13.474 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.536 2.177 -14.204 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.705 3.169 -14.623 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.327 1.732 -15.410 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.613 4.497 -15.597 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.552 3.814 -16.813 1.00 0.00 H new ATOM 1516 N LYS A 96 -4.840 1.449 -12.441 1.00 0.00 N ATOM 1517 CA LYS A 96 -4.239 0.434 -11.591 1.00 0.00 C ATOM 1518 C LYS A 96 -5.103 0.244 -10.343 1.00 0.00 C ATOM 1519 O LYS A 96 -5.493 -0.876 -10.019 1.00 0.00 O ATOM 1520 CB LYS A 96 -2.783 0.788 -11.284 1.00 0.00 C ATOM 1521 CG LYS A 96 -1.982 0.982 -12.572 1.00 0.00 C ATOM 1522 CD LYS A 96 -1.528 -0.363 -13.145 1.00 0.00 C ATOM 1523 CE LYS A 96 -0.303 -0.191 -14.044 1.00 0.00 C ATOM 1524 NZ LYS A 96 -0.085 -1.406 -14.861 1.00 0.00 N ATOM 0 H LYS A 96 -4.245 2.256 -12.628 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.208 -0.526 -12.106 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -2.745 1.699 -10.687 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.331 -0.004 -10.686 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -2.591 1.507 -13.307 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -1.112 1.608 -12.373 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -1.292 -1.048 -12.331 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -2.341 -0.813 -13.715 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.441 0.672 -14.695 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.578 0.007 -13.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.751 -1.272 -15.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.067 -2.222 -14.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -0.920 -1.578 -15.457 1.00 0.00 H new ATOM 1538 N ALA A 97 -5.377 1.355 -9.677 1.00 0.00 N ATOM 1539 CA ALA A 97 -6.187 1.325 -8.472 1.00 0.00 C ATOM 1540 C ALA A 97 -7.373 0.382 -8.682 1.00 0.00 C ATOM 1541 O ALA A 97 -7.523 -0.605 -7.962 1.00 0.00 O ATOM 1542 CB ALA A 97 -6.630 2.747 -8.117 1.00 0.00 C ATOM 0 H ALA A 97 -5.052 2.283 -9.949 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.607 0.944 -7.631 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -7.238 2.724 -7.213 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.752 3.370 -7.948 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.216 3.161 -8.937 1.00 0.00 H new ATOM 1548 N LEU A 98 -8.186 0.718 -9.673 1.00 0.00 N ATOM 1549 CA LEU A 98 -9.354 -0.088 -9.988 1.00 0.00 C ATOM 1550 C LEU A 98 -8.920 -1.535 -10.229 1.00 0.00 C ATOM 1551 O LEU A 98 -9.353 -2.443 -9.521 1.00 0.00 O ATOM 1552 CB LEU A 98 -10.128 0.525 -11.157 1.00 0.00 C ATOM 1553 CG LEU A 98 -11.370 1.338 -10.788 1.00 0.00 C ATOM 1554 CD1 LEU A 98 -12.358 0.493 -9.983 1.00 0.00 C ATOM 1555 CD2 LEU A 98 -10.984 2.624 -10.054 1.00 0.00 C ATOM 0 H LEU A 98 -8.059 1.537 -10.268 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.048 -0.099 -9.147 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.450 1.169 -11.717 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.431 -0.279 -11.828 1.00 0.00 H new ATOM 0 HG LEU A 98 -11.874 1.631 -11.709 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -13.232 1.094 -9.733 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -12.667 -0.368 -10.575 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.880 0.150 -9.066 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -11.885 3.184 -9.803 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.446 2.374 -9.140 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -10.346 3.232 -10.696 1.00 0.00 H new ATOM 1567 N LYS A 99 -8.070 -1.705 -11.231 1.00 0.00 N ATOM 1568 CA LYS A 99 -7.573 -3.027 -11.574 1.00 0.00 C ATOM 1569 C LYS A 99 -7.306 -3.816 -10.290 1.00 0.00 C ATOM 1570 O LYS A 99 -7.421 -5.041 -10.275 1.00 0.00 O ATOM 1571 CB LYS A 99 -6.355 -2.919 -12.494 1.00 0.00 C ATOM 1572 CG LYS A 99 -6.585 -3.684 -13.799 1.00 0.00 C ATOM 1573 CD LYS A 99 -6.869 -2.724 -14.956 1.00 0.00 C ATOM 1574 CE LYS A 99 -7.083 -3.488 -16.264 1.00 0.00 C ATOM 1575 NZ LYS A 99 -7.611 -2.585 -17.311 1.00 0.00 N ATOM 0 H LYS A 99 -7.713 -0.950 -11.816 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.323 -3.581 -12.139 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.152 -1.871 -12.714 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.475 -3.314 -11.987 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.707 -4.288 -14.030 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.422 -4.372 -13.679 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.753 -2.128 -14.730 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.037 -2.029 -15.069 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.141 -3.926 -16.594 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.778 -4.312 -16.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -7.751 -3.119 -18.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.520 -2.187 -17.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -6.934 -1.813 -17.478 1.00 0.00 H new ATOM 1589 N TYR A 100 -6.954 -3.081 -9.245 1.00 0.00 N ATOM 1590 CA TYR A 100 -6.671 -3.697 -7.960 1.00 0.00 C ATOM 1591 C TYR A 100 -7.919 -3.725 -7.077 1.00 0.00 C ATOM 1592 O TYR A 100 -8.166 -4.704 -6.375 1.00 0.00 O ATOM 1593 CB TYR A 100 -5.610 -2.816 -7.296 1.00 0.00 C ATOM 1594 CG TYR A 100 -4.187 -3.368 -7.402 1.00 0.00 C ATOM 1595 CD1 TYR A 100 -3.962 -4.725 -7.289 1.00 0.00 C ATOM 1596 CD2 TYR A 100 -3.127 -2.508 -7.613 1.00 0.00 C ATOM 1597 CE1 TYR A 100 -2.623 -5.244 -7.389 1.00 0.00 C ATOM 1598 CE2 TYR A 100 -1.788 -3.028 -7.714 1.00 0.00 C ATOM 1599 CZ TYR A 100 -1.602 -4.370 -7.597 1.00 0.00 C ATOM 1600 OH TYR A 100 -0.337 -4.859 -7.691 1.00 0.00 O ATOM 0 H TYR A 100 -6.858 -2.066 -9.262 1.00 0.00 H new ATOM 0 HA TYR A 100 -6.338 -4.726 -8.093 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -5.639 -1.825 -7.750 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -5.863 -2.692 -6.243 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -4.791 -5.398 -7.125 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -3.302 -1.446 -7.702 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -2.433 -6.304 -7.301 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -0.950 -2.367 -7.879 1.00 0.00 H new ATOM 0 HH TYR A 100 0.198 -4.273 -8.266 1.00 0.00 H new ATOM 1610 N VAL A 101 -8.674 -2.637 -7.140 1.00 0.00 N ATOM 1611 CA VAL A 101 -9.891 -2.525 -6.355 1.00 0.00 C ATOM 1612 C VAL A 101 -10.916 -3.539 -6.863 1.00 0.00 C ATOM 1613 O VAL A 101 -11.650 -4.134 -6.075 1.00 0.00 O ATOM 1614 CB VAL A 101 -10.407 -1.084 -6.392 1.00 0.00 C ATOM 1615 CG1 VAL A 101 -11.868 -1.036 -6.840 1.00 0.00 C ATOM 1616 CG2 VAL A 101 -10.225 -0.402 -5.034 1.00 0.00 C ATOM 0 H VAL A 101 -8.466 -1.826 -7.723 1.00 0.00 H new ATOM 0 HA VAL A 101 -9.693 -2.759 -5.309 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.815 -0.534 -7.124 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -12.209 -0.001 -6.857 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -11.957 -1.464 -7.838 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -12.481 -1.608 -6.144 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.599 0.620 -5.087 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.779 -0.952 -4.273 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.167 -0.388 -4.773 1.00 0.00 H new ATOM 1626 N ARG A 102 -10.936 -3.705 -8.177 1.00 0.00 N ATOM 1627 CA ARG A 102 -11.860 -4.638 -8.800 1.00 0.00 C ATOM 1628 C ARG A 102 -11.453 -6.079 -8.484 1.00 0.00 C ATOM 1629 O ARG A 102 -12.266 -6.866 -8.004 1.00 0.00 O ATOM 1630 CB ARG A 102 -11.895 -4.447 -10.318 1.00 0.00 C ATOM 1631 CG ARG A 102 -12.174 -2.987 -10.680 1.00 0.00 C ATOM 1632 CD ARG A 102 -13.579 -2.571 -10.238 1.00 0.00 C ATOM 1633 NE ARG A 102 -14.443 -2.366 -11.422 1.00 0.00 N ATOM 1634 CZ ARG A 102 -15.168 -3.334 -11.999 1.00 0.00 C ATOM 1635 NH1 ARG A 102 -15.139 -4.579 -11.505 1.00 0.00 N ATOM 1636 NH2 ARG A 102 -15.923 -3.057 -13.072 1.00 0.00 N ATOM 0 H ARG A 102 -10.327 -3.209 -8.828 1.00 0.00 H new ATOM 0 HA ARG A 102 -12.853 -4.440 -8.397 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -10.943 -4.757 -10.749 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -12.664 -5.086 -10.751 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -11.434 -2.343 -10.205 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -12.072 -2.850 -11.756 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -14.008 -3.338 -9.593 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -13.528 -1.653 -9.652 1.00 0.00 H new ATOM 0 HE ARG A 102 -14.489 -1.430 -11.824 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -14.565 -4.791 -10.689 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -15.691 -5.315 -11.945 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -15.945 -2.109 -13.449 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -16.475 -3.794 -13.511 1.00 0.00 H new ATOM 1650 N GLY A 103 -10.194 -6.381 -8.768 1.00 0.00 N ATOM 1651 CA GLY A 103 -9.670 -7.713 -8.520 1.00 0.00 C ATOM 1652 C GLY A 103 -9.713 -8.050 -7.028 1.00 0.00 C ATOM 1653 O GLY A 103 -9.562 -9.210 -6.646 1.00 0.00 O ATOM 0 H GLY A 103 -9.522 -5.726 -9.167 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -10.251 -8.446 -9.079 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -8.644 -7.777 -8.882 1.00 0.00 H new ATOM 1657 N LEU A 104 -9.922 -7.017 -6.226 1.00 0.00 N ATOM 1658 CA LEU A 104 -9.988 -7.189 -4.785 1.00 0.00 C ATOM 1659 C LEU A 104 -11.452 -7.305 -4.356 1.00 0.00 C ATOM 1660 O LEU A 104 -11.759 -7.942 -3.350 1.00 0.00 O ATOM 1661 CB LEU A 104 -9.226 -6.069 -4.076 1.00 0.00 C ATOM 1662 CG LEU A 104 -9.203 -6.134 -2.547 1.00 0.00 C ATOM 1663 CD1 LEU A 104 -10.541 -5.679 -1.960 1.00 0.00 C ATOM 1664 CD2 LEU A 104 -8.812 -7.532 -2.065 1.00 0.00 C ATOM 0 H LEU A 104 -10.048 -6.057 -6.547 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.495 -8.115 -4.489 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.197 -6.073 -4.435 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.663 -5.115 -4.372 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.441 -5.443 -2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.499 -5.734 -0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -10.741 -4.651 -2.263 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.338 -6.327 -2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.803 -7.552 -0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.534 -8.260 -2.435 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.820 -7.782 -2.441 1.00 0.00 H new ATOM 1676 N LEU A 105 -12.317 -6.677 -5.139 1.00 0.00 N ATOM 1677 CA LEU A 105 -13.741 -6.702 -4.853 1.00 0.00 C ATOM 1678 C LEU A 105 -14.312 -8.066 -5.244 1.00 0.00 C ATOM 1679 O LEU A 105 -15.191 -8.592 -4.563 1.00 0.00 O ATOM 1680 CB LEU A 105 -14.444 -5.524 -5.532 1.00 0.00 C ATOM 1681 CG LEU A 105 -14.531 -4.233 -4.714 1.00 0.00 C ATOM 1682 CD1 LEU A 105 -14.911 -3.046 -5.602 1.00 0.00 C ATOM 1683 CD2 LEU A 105 -15.491 -4.396 -3.533 1.00 0.00 C ATOM 0 H LEU A 105 -12.059 -6.148 -5.972 1.00 0.00 H new ATOM 0 HA LEU A 105 -13.917 -6.577 -3.785 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -13.925 -5.305 -6.465 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -15.456 -5.833 -5.795 1.00 0.00 H new ATOM 0 HG LEU A 105 -13.545 -4.023 -4.301 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -14.966 -2.141 -4.996 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -14.158 -2.917 -6.379 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -15.880 -3.233 -6.064 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -15.535 -3.465 -2.968 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -16.486 -4.642 -3.904 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -15.137 -5.197 -2.884 1.00 0.00 H new ATOM 1695 N GLN A 106 -13.789 -8.600 -6.337 1.00 0.00 N ATOM 1696 CA GLN A 106 -14.236 -9.893 -6.826 1.00 0.00 C ATOM 1697 C GLN A 106 -14.226 -10.922 -5.693 1.00 0.00 C ATOM 1698 O GLN A 106 -15.175 -11.687 -5.537 1.00 0.00 O ATOM 1699 CB GLN A 106 -13.375 -10.363 -8.000 1.00 0.00 C ATOM 1700 CG GLN A 106 -12.115 -11.077 -7.506 1.00 0.00 C ATOM 1701 CD GLN A 106 -11.221 -11.485 -8.678 1.00 0.00 C ATOM 1702 OE1 GLN A 106 -11.278 -10.927 -9.760 1.00 0.00 O ATOM 1703 NE2 GLN A 106 -10.392 -12.489 -8.401 1.00 0.00 N ATOM 0 H GLN A 106 -13.059 -8.161 -6.898 1.00 0.00 H new ATOM 0 HA GLN A 106 -15.259 -9.789 -7.187 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -13.954 -11.036 -8.633 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -13.095 -9.508 -8.615 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -11.562 -10.422 -6.833 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -12.395 -11.961 -6.932 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -10.396 -12.912 -7.473 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -9.753 -12.835 -9.117 1.00 0.00 H new ATOM 1712 N THR A 107 -13.142 -10.905 -4.932 1.00 0.00 N ATOM 1713 CA THR A 107 -12.996 -11.825 -3.817 1.00 0.00 C ATOM 1714 C THR A 107 -13.516 -11.190 -2.527 1.00 0.00 C ATOM 1715 O THR A 107 -13.830 -11.891 -1.567 1.00 0.00 O ATOM 1716 CB THR A 107 -11.527 -12.243 -3.739 1.00 0.00 C ATOM 1717 OG1 THR A 107 -11.493 -13.199 -2.683 1.00 0.00 O ATOM 1718 CG2 THR A 107 -10.621 -11.113 -3.246 1.00 0.00 C ATOM 0 H THR A 107 -12.356 -10.269 -5.066 1.00 0.00 H new ATOM 0 HA THR A 107 -13.598 -12.722 -3.964 1.00 0.00 H new ATOM 0 HB THR A 107 -11.192 -12.574 -4.722 1.00 0.00 H new ATOM 0 HG1 THR A 107 -12.177 -12.976 -2.018 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.589 -11.463 -3.209 1.00 0.00 H new ATOM 0 HG22 THR A 107 -10.692 -10.266 -3.928 1.00 0.00 H new ATOM 0 HG23 THR A 107 -10.935 -10.804 -2.249 1.00 0.00 H new ATOM 1726 N GLU A 108 -13.593 -9.867 -2.547 1.00 0.00 N ATOM 1727 CA GLU A 108 -14.070 -9.127 -1.390 1.00 0.00 C ATOM 1728 C GLU A 108 -15.123 -8.102 -1.814 1.00 0.00 C ATOM 1729 O GLU A 108 -14.896 -6.897 -1.716 1.00 0.00 O ATOM 1730 CB GLU A 108 -12.911 -8.452 -0.655 1.00 0.00 C ATOM 1731 CG GLU A 108 -11.743 -9.422 -0.462 1.00 0.00 C ATOM 1732 CD GLU A 108 -11.950 -10.287 0.783 1.00 0.00 C ATOM 1733 OE1 GLU A 108 -12.886 -11.114 0.751 1.00 0.00 O ATOM 1734 OE2 GLU A 108 -11.166 -10.101 1.739 1.00 0.00 O ATOM 0 H GLU A 108 -13.333 -9.288 -3.346 1.00 0.00 H new ATOM 0 HA GLU A 108 -14.534 -9.830 -0.698 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.576 -7.582 -1.219 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.252 -8.091 0.315 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -11.646 -10.060 -1.341 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -10.812 -8.863 -0.370 1.00 0.00 H new ATOM 1741 N PRO A 109 -16.283 -8.631 -2.288 1.00 0.00 N ATOM 1742 CA PRO A 109 -17.372 -7.775 -2.727 1.00 0.00 C ATOM 1743 C PRO A 109 -18.101 -7.159 -1.531 1.00 0.00 C ATOM 1744 O PRO A 109 -18.623 -6.049 -1.622 1.00 0.00 O ATOM 1745 CB PRO A 109 -18.263 -8.673 -3.569 1.00 0.00 C ATOM 1746 CG PRO A 109 -17.896 -10.098 -3.190 1.00 0.00 C ATOM 1747 CD PRO A 109 -16.587 -10.053 -2.419 1.00 0.00 C ATOM 0 HA PRO A 109 -17.028 -6.920 -3.309 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -19.316 -8.475 -3.370 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -18.101 -8.498 -4.633 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -18.682 -10.546 -2.582 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -17.792 -10.716 -4.082 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -16.686 -10.528 -1.443 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -15.795 -10.580 -2.952 1.00 0.00 H new ATOM 1755 N GLN A 110 -18.114 -7.907 -0.437 1.00 0.00 N ATOM 1756 CA GLN A 110 -18.770 -7.449 0.775 1.00 0.00 C ATOM 1757 C GLN A 110 -17.937 -6.358 1.450 1.00 0.00 C ATOM 1758 O GLN A 110 -18.447 -5.605 2.278 1.00 0.00 O ATOM 1759 CB GLN A 110 -19.029 -8.613 1.732 1.00 0.00 C ATOM 1760 CG GLN A 110 -17.764 -9.452 1.929 1.00 0.00 C ATOM 1761 CD GLN A 110 -17.849 -10.280 3.213 1.00 0.00 C ATOM 1762 OE1 GLN A 110 -18.408 -9.863 4.214 1.00 0.00 O ATOM 1763 NE2 GLN A 110 -17.266 -11.473 3.128 1.00 0.00 N ATOM 0 H GLN A 110 -17.680 -8.827 -0.365 1.00 0.00 H new ATOM 0 HA GLN A 110 -19.736 -7.024 0.503 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -19.369 -8.229 2.694 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -19.829 -9.241 1.339 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -17.625 -10.114 1.074 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -16.893 -8.798 1.971 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -16.816 -11.760 2.259 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -17.270 -12.101 3.932 1.00 0.00 H new ATOM 1772 N ASN A 111 -16.668 -6.308 1.072 1.00 0.00 N ATOM 1773 CA ASN A 111 -15.758 -5.323 1.632 1.00 0.00 C ATOM 1774 C ASN A 111 -16.270 -3.919 1.302 1.00 0.00 C ATOM 1775 O ASN A 111 -16.277 -3.513 0.141 1.00 0.00 O ATOM 1776 CB ASN A 111 -14.356 -5.467 1.036 1.00 0.00 C ATOM 1777 CG ASN A 111 -13.410 -4.405 1.600 1.00 0.00 C ATOM 1778 OD1 ASN A 111 -13.800 -3.295 1.921 1.00 0.00 O ATOM 1779 ND2 ASN A 111 -12.146 -4.806 1.703 1.00 0.00 N ATOM 0 H ASN A 111 -16.248 -6.934 0.385 1.00 0.00 H new ATOM 0 HA ASN A 111 -15.710 -5.481 2.709 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -13.964 -6.461 1.254 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -14.407 -5.375 -0.049 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -11.437 -4.170 2.069 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -11.885 -5.750 1.416 1.00 0.00 H new ATOM 1786 N ASN A 112 -16.685 -3.216 2.345 1.00 0.00 N ATOM 1787 CA ASN A 112 -17.197 -1.865 2.181 1.00 0.00 C ATOM 1788 C ASN A 112 -16.059 -0.943 1.741 1.00 0.00 C ATOM 1789 O ASN A 112 -16.182 -0.229 0.747 1.00 0.00 O ATOM 1790 CB ASN A 112 -17.760 -1.326 3.497 1.00 0.00 C ATOM 1791 CG ASN A 112 -18.665 -2.359 4.171 1.00 0.00 C ATOM 1792 OD1 ASN A 112 -18.916 -3.434 3.652 1.00 0.00 O ATOM 1793 ND2 ASN A 112 -19.139 -1.975 5.353 1.00 0.00 N ATOM 0 H ASN A 112 -16.677 -3.556 3.307 1.00 0.00 H new ATOM 0 HA ASN A 112 -17.990 -1.894 1.434 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -16.941 -1.063 4.166 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -18.323 -0.412 3.308 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -19.752 -2.595 5.882 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -18.889 -1.061 5.730 1.00 0.00 H new ATOM 1800 N GLN A 113 -14.975 -0.987 2.503 1.00 0.00 N ATOM 1801 CA GLN A 113 -13.816 -0.164 2.204 1.00 0.00 C ATOM 1802 C GLN A 113 -13.546 -0.155 0.698 1.00 0.00 C ATOM 1803 O GLN A 113 -13.335 0.904 0.108 1.00 0.00 O ATOM 1804 CB GLN A 113 -12.588 -0.646 2.977 1.00 0.00 C ATOM 1805 CG GLN A 113 -12.762 -0.420 4.481 1.00 0.00 C ATOM 1806 CD GLN A 113 -11.810 -1.308 5.284 1.00 0.00 C ATOM 1807 OE1 GLN A 113 -10.641 -1.008 5.460 1.00 0.00 O ATOM 1808 NE2 GLN A 113 -12.373 -2.416 5.758 1.00 0.00 N ATOM 0 H GLN A 113 -14.876 -1.580 3.327 1.00 0.00 H new ATOM 0 HA GLN A 113 -14.028 0.857 2.522 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -12.424 -1.706 2.782 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -11.702 -0.116 2.626 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -12.575 0.627 4.719 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -13.792 -0.633 4.767 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -13.358 -2.607 5.574 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -11.820 -3.075 6.306 1.00 0.00 H new ATOM 1817 N ALA A 114 -13.563 -1.346 0.118 1.00 0.00 N ATOM 1818 CA ALA A 114 -13.322 -1.487 -1.308 1.00 0.00 C ATOM 1819 C ALA A 114 -14.509 -0.908 -2.081 1.00 0.00 C ATOM 1820 O ALA A 114 -14.326 -0.125 -3.011 1.00 0.00 O ATOM 1821 CB ALA A 114 -13.073 -2.960 -1.640 1.00 0.00 C ATOM 0 H ALA A 114 -13.740 -2.222 0.610 1.00 0.00 H new ATOM 0 HA ALA A 114 -12.433 -0.931 -1.604 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -12.892 -3.066 -2.710 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -12.203 -3.315 -1.088 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.946 -3.549 -1.359 1.00 0.00 H new ATOM 1827 N LYS A 115 -15.700 -1.318 -1.667 1.00 0.00 N ATOM 1828 CA LYS A 115 -16.916 -0.849 -2.309 1.00 0.00 C ATOM 1829 C LYS A 115 -16.775 0.639 -2.637 1.00 0.00 C ATOM 1830 O LYS A 115 -16.725 1.019 -3.806 1.00 0.00 O ATOM 1831 CB LYS A 115 -18.137 -1.175 -1.446 1.00 0.00 C ATOM 1832 CG LYS A 115 -18.687 -2.564 -1.776 1.00 0.00 C ATOM 1833 CD LYS A 115 -20.148 -2.693 -1.341 1.00 0.00 C ATOM 1834 CE LYS A 115 -20.934 -3.574 -2.315 1.00 0.00 C ATOM 1835 NZ LYS A 115 -22.320 -3.770 -1.833 1.00 0.00 N ATOM 0 H LYS A 115 -15.848 -1.969 -0.896 1.00 0.00 H new ATOM 0 HA LYS A 115 -17.073 -1.370 -3.254 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -17.864 -1.129 -0.392 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -18.912 -0.425 -1.608 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -18.606 -2.746 -2.848 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -18.087 -3.325 -1.277 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -20.197 -3.119 -0.339 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -20.605 -1.705 -1.289 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -20.948 -3.112 -3.302 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -20.440 -4.540 -2.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -22.840 -4.370 -2.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -22.301 -4.230 -0.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -22.794 -2.848 -1.754 1.00 0.00 H new ATOM 1849 N GLU A 116 -16.714 1.441 -1.584 1.00 0.00 N ATOM 1850 CA GLU A 116 -16.580 2.879 -1.745 1.00 0.00 C ATOM 1851 C GLU A 116 -15.429 3.199 -2.701 1.00 0.00 C ATOM 1852 O GLU A 116 -15.620 3.899 -3.695 1.00 0.00 O ATOM 1853 CB GLU A 116 -16.378 3.566 -0.393 1.00 0.00 C ATOM 1854 CG GLU A 116 -17.720 3.920 0.248 1.00 0.00 C ATOM 1855 CD GLU A 116 -17.967 5.430 0.203 1.00 0.00 C ATOM 1856 OE1 GLU A 116 -18.160 5.940 -0.921 1.00 0.00 O ATOM 1857 OE2 GLU A 116 -17.957 6.039 1.294 1.00 0.00 O ATOM 0 H GLU A 116 -16.755 1.122 -0.616 1.00 0.00 H new ATOM 0 HA GLU A 116 -17.504 3.265 -2.176 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -15.815 2.910 0.272 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -15.785 4.471 -0.526 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -18.524 3.400 -0.273 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -17.735 3.576 1.282 1.00 0.00 H new ATOM 1864 N LEU A 117 -14.261 2.673 -2.367 1.00 0.00 N ATOM 1865 CA LEU A 117 -13.078 2.895 -3.184 1.00 0.00 C ATOM 1866 C LEU A 117 -13.481 2.923 -4.659 1.00 0.00 C ATOM 1867 O LEU A 117 -13.326 3.942 -5.329 1.00 0.00 O ATOM 1868 CB LEU A 117 -12.001 1.858 -2.860 1.00 0.00 C ATOM 1869 CG LEU A 117 -10.660 2.413 -2.375 1.00 0.00 C ATOM 1870 CD1 LEU A 117 -9.690 1.280 -2.031 1.00 0.00 C ATOM 1871 CD2 LEU A 117 -10.068 3.385 -3.395 1.00 0.00 C ATOM 0 H LEU A 117 -14.107 2.093 -1.542 1.00 0.00 H new ATOM 0 HA LEU A 117 -12.633 3.864 -2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -12.391 1.185 -2.096 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -11.822 1.258 -3.752 1.00 0.00 H new ATOM 0 HG LEU A 117 -10.835 2.976 -1.458 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -8.745 1.702 -1.689 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -10.118 0.662 -1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -9.515 0.669 -2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -9.115 3.765 -3.026 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -9.910 2.868 -4.341 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -10.756 4.217 -3.547 1.00 0.00 H new ATOM 1883 N GLU A 118 -13.991 1.791 -5.122 1.00 0.00 N ATOM 1884 CA GLU A 118 -14.417 1.673 -6.507 1.00 0.00 C ATOM 1885 C GLU A 118 -15.108 2.961 -6.961 1.00 0.00 C ATOM 1886 O GLU A 118 -14.869 3.439 -8.068 1.00 0.00 O ATOM 1887 CB GLU A 118 -15.335 0.463 -6.696 1.00 0.00 C ATOM 1888 CG GLU A 118 -15.210 -0.103 -8.113 1.00 0.00 C ATOM 1889 CD GLU A 118 -16.571 -0.128 -8.814 1.00 0.00 C ATOM 1890 OE1 GLU A 118 -17.427 -0.918 -8.362 1.00 0.00 O ATOM 1891 OE2 GLU A 118 -16.722 0.644 -9.786 1.00 0.00 O ATOM 0 H GLU A 118 -14.119 0.947 -4.563 1.00 0.00 H new ATOM 0 HA GLU A 118 -13.534 1.519 -7.127 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -15.081 -0.308 -5.969 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -16.368 0.753 -6.506 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -14.510 0.502 -8.690 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -14.800 -1.112 -8.071 1.00 0.00 H new ATOM 1898 N ARG A 119 -15.949 3.485 -6.083 1.00 0.00 N ATOM 1899 CA ARG A 119 -16.676 4.708 -6.379 1.00 0.00 C ATOM 1900 C ARG A 119 -15.758 5.922 -6.219 1.00 0.00 C ATOM 1901 O ARG A 119 -15.624 6.728 -7.138 1.00 0.00 O ATOM 1902 CB ARG A 119 -17.887 4.867 -5.459 1.00 0.00 C ATOM 1903 CG ARG A 119 -19.073 4.044 -5.965 1.00 0.00 C ATOM 1904 CD ARG A 119 -20.362 4.437 -5.241 1.00 0.00 C ATOM 1905 NE ARG A 119 -21.135 3.225 -4.889 1.00 0.00 N ATOM 1906 CZ ARG A 119 -22.284 3.241 -4.198 1.00 0.00 C ATOM 1907 NH1 ARG A 119 -22.799 4.405 -3.783 1.00 0.00 N ATOM 1908 NH2 ARG A 119 -22.915 2.092 -3.924 1.00 0.00 N ATOM 0 H ARG A 119 -16.144 3.085 -5.165 1.00 0.00 H new ATOM 0 HA ARG A 119 -17.025 4.645 -7.410 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -17.625 4.551 -4.449 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -18.168 5.919 -5.401 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -19.194 4.195 -7.038 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -18.875 2.983 -5.813 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -20.125 5.001 -4.339 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -20.961 5.089 -5.877 1.00 0.00 H new ATOM 0 HE ARG A 119 -20.771 2.321 -5.191 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -22.317 5.279 -3.993 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -23.673 4.417 -3.257 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -22.521 1.206 -4.241 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -23.789 2.103 -3.398 1.00 0.00 H new ATOM 1922 N LEU A 120 -15.152 6.014 -5.045 1.00 0.00 N ATOM 1923 CA LEU A 120 -14.251 7.116 -4.752 1.00 0.00 C ATOM 1924 C LEU A 120 -13.460 7.471 -6.012 1.00 0.00 C ATOM 1925 O LEU A 120 -13.374 8.640 -6.387 1.00 0.00 O ATOM 1926 CB LEU A 120 -13.370 6.782 -3.546 1.00 0.00 C ATOM 1927 CG LEU A 120 -14.035 6.909 -2.174 1.00 0.00 C ATOM 1928 CD1 LEU A 120 -13.712 8.259 -1.531 1.00 0.00 C ATOM 1929 CD2 LEU A 120 -15.543 6.667 -2.271 1.00 0.00 C ATOM 0 H LEU A 120 -15.267 5.343 -4.285 1.00 0.00 H new ATOM 0 HA LEU A 120 -14.815 8.004 -4.469 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -13.007 5.761 -3.658 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -12.497 7.435 -3.567 1.00 0.00 H new ATOM 0 HG LEU A 120 -13.626 6.136 -1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -14.197 8.323 -0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -12.633 8.354 -1.406 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -14.075 9.063 -2.171 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -15.991 6.763 -1.282 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -15.987 7.401 -2.944 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -15.727 5.664 -2.657 1.00 0.00 H new ATOM 1941 N ILE A 121 -12.903 6.442 -6.633 1.00 0.00 N ATOM 1942 CA ILE A 121 -12.122 6.630 -7.843 1.00 0.00 C ATOM 1943 C ILE A 121 -13.060 6.976 -9.002 1.00 0.00 C ATOM 1944 O ILE A 121 -12.798 7.907 -9.760 1.00 0.00 O ATOM 1945 CB ILE A 121 -11.241 5.407 -8.108 1.00 0.00 C ATOM 1946 CG1 ILE A 121 -10.342 5.108 -6.907 1.00 0.00 C ATOM 1947 CG2 ILE A 121 -10.436 5.581 -9.397 1.00 0.00 C ATOM 1948 CD1 ILE A 121 -10.517 3.661 -6.439 1.00 0.00 C ATOM 0 H ILE A 121 -12.977 5.474 -6.320 1.00 0.00 H new ATOM 0 HA ILE A 121 -11.436 7.469 -7.727 1.00 0.00 H new ATOM 0 HB ILE A 121 -11.890 4.542 -8.247 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -9.300 5.284 -7.175 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -10.581 5.790 -6.091 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -9.818 4.698 -9.562 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -11.118 5.709 -10.237 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -9.797 6.460 -9.311 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -9.867 3.474 -5.584 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -11.555 3.495 -6.149 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -10.254 2.982 -7.250 1.00 0.00 H new ATOM 1960 N ASP A 122 -14.134 6.205 -9.101 1.00 0.00 N ATOM 1961 CA ASP A 122 -15.112 6.418 -10.154 1.00 0.00 C ATOM 1962 C ASP A 122 -15.505 7.897 -10.188 1.00 0.00 C ATOM 1963 O ASP A 122 -15.872 8.421 -11.239 1.00 0.00 O ATOM 1964 CB ASP A 122 -16.379 5.598 -9.903 1.00 0.00 C ATOM 1965 CG ASP A 122 -17.175 5.237 -11.158 1.00 0.00 C ATOM 1966 OD1 ASP A 122 -16.521 5.001 -12.197 1.00 0.00 O ATOM 1967 OD2 ASP A 122 -18.419 5.203 -11.051 1.00 0.00 O ATOM 0 H ASP A 122 -14.348 5.433 -8.470 1.00 0.00 H new ATOM 0 HA ASP A 122 -14.663 6.109 -11.098 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -16.102 4.677 -9.390 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -17.027 6.157 -9.228 1.00 0.00 H new ATOM 1972 N LYS A 123 -15.414 8.527 -9.026 1.00 0.00 N ATOM 1973 CA LYS A 123 -15.756 9.935 -8.910 1.00 0.00 C ATOM 1974 C LYS A 123 -14.516 10.782 -9.205 1.00 0.00 C ATOM 1975 O LYS A 123 -14.598 11.782 -9.917 1.00 0.00 O ATOM 1976 CB LYS A 123 -16.386 10.222 -7.547 1.00 0.00 C ATOM 1977 CG LYS A 123 -17.886 9.918 -7.561 1.00 0.00 C ATOM 1978 CD LYS A 123 -18.403 9.641 -6.147 1.00 0.00 C ATOM 1979 CE LYS A 123 -18.807 10.941 -5.448 1.00 0.00 C ATOM 1980 NZ LYS A 123 -20.048 10.744 -4.667 1.00 0.00 N ATOM 0 H LYS A 123 -15.109 8.089 -8.157 1.00 0.00 H new ATOM 0 HA LYS A 123 -16.511 10.206 -9.648 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -15.896 9.619 -6.782 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -16.226 11.267 -7.281 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -18.427 10.760 -7.991 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -18.080 9.055 -8.198 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -19.259 8.968 -6.194 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -17.631 9.136 -5.566 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -18.004 11.272 -4.789 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -18.957 11.728 -6.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -20.309 11.635 -4.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -20.816 10.450 -5.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -19.893 10.008 -3.949 1.00 0.00 H new ATOM 1994 N ALA A 124 -13.396 10.350 -8.644 1.00 0.00 N ATOM 1995 CA ALA A 124 -12.141 11.056 -8.838 1.00 0.00 C ATOM 1996 C ALA A 124 -11.799 11.079 -10.328 1.00 0.00 C ATOM 1997 O ALA A 124 -11.154 12.010 -10.807 1.00 0.00 O ATOM 1998 CB ALA A 124 -11.047 10.393 -7.998 1.00 0.00 C ATOM 0 H ALA A 124 -13.332 9.520 -8.055 1.00 0.00 H new ATOM 0 HA ALA A 124 -12.227 12.090 -8.504 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -10.105 10.923 -8.143 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -11.325 10.429 -6.945 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -10.930 9.354 -8.307 1.00 0.00 H new ATOM 2004 N MET A 125 -12.246 10.041 -11.022 1.00 0.00 N ATOM 2005 CA MET A 125 -11.995 9.931 -12.449 1.00 0.00 C ATOM 2006 C MET A 125 -12.477 11.180 -13.189 1.00 0.00 C ATOM 2007 O MET A 125 -11.718 11.795 -13.936 1.00 0.00 O ATOM 2008 CB MET A 125 -12.718 8.700 -13.000 1.00 0.00 C ATOM 2009 CG MET A 125 -12.035 7.411 -12.539 1.00 0.00 C ATOM 2010 SD MET A 125 -11.156 6.664 -13.901 1.00 0.00 S ATOM 2011 CE MET A 125 -11.002 4.993 -13.292 1.00 0.00 C ATOM 0 H MET A 125 -12.780 9.269 -10.622 1.00 0.00 H new ATOM 0 HA MET A 125 -10.921 9.833 -12.604 1.00 0.00 H new ATOM 0 HB2 MET A 125 -13.756 8.705 -12.668 1.00 0.00 H new ATOM 0 HB3 MET A 125 -12.732 8.739 -14.089 1.00 0.00 H new ATOM 0 HG2 MET A 125 -11.344 7.627 -11.724 1.00 0.00 H new ATOM 0 HG3 MET A 125 -12.778 6.715 -12.150 1.00 0.00 H new ATOM 0 HE1 MET A 125 -10.008 4.611 -13.525 1.00 0.00 H new ATOM 0 HE2 MET A 125 -11.151 4.984 -12.212 1.00 0.00 H new ATOM 0 HE3 MET A 125 -11.753 4.362 -13.767 1.00 0.00 H new ATOM 2021 N LYS A 126 -13.737 11.518 -12.956 1.00 0.00 N ATOM 2022 CA LYS A 126 -14.329 12.683 -13.592 1.00 0.00 C ATOM 2023 C LYS A 126 -14.461 13.807 -12.563 1.00 0.00 C ATOM 2024 O LYS A 126 -15.563 14.287 -12.300 1.00 0.00 O ATOM 2025 CB LYS A 126 -15.651 12.310 -14.268 1.00 0.00 C ATOM 2026 CG LYS A 126 -16.267 11.069 -13.621 1.00 0.00 C ATOM 2027 CD LYS A 126 -16.681 11.353 -12.175 1.00 0.00 C ATOM 2028 CE LYS A 126 -18.020 12.090 -12.123 1.00 0.00 C ATOM 2029 NZ LYS A 126 -18.421 12.340 -10.720 1.00 0.00 N ATOM 0 H LYS A 126 -14.364 11.006 -12.336 1.00 0.00 H new ATOM 0 HA LYS A 126 -13.683 13.053 -14.388 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -16.348 13.145 -14.197 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -15.482 12.125 -15.329 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -17.136 10.748 -14.196 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -15.550 10.249 -13.643 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -16.756 10.416 -11.624 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -15.913 11.951 -11.684 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -17.942 13.036 -12.659 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -18.786 11.500 -12.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -19.332 12.841 -10.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -18.515 11.433 -10.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -17.698 12.921 -10.251 1.00 0.00 H new ATOM 2043 N LYS A 127 -13.322 14.196 -12.009 1.00 0.00 N ATOM 2044 CA LYS A 127 -13.297 15.255 -11.015 1.00 0.00 C ATOM 2045 C LYS A 127 -12.105 16.175 -11.286 1.00 0.00 C ATOM 2046 O LYS A 127 -11.166 16.231 -10.494 1.00 0.00 O ATOM 2047 CB LYS A 127 -13.309 14.665 -9.603 1.00 0.00 C ATOM 2048 CG LYS A 127 -14.724 14.670 -9.019 1.00 0.00 C ATOM 2049 CD LYS A 127 -14.797 13.814 -7.754 1.00 0.00 C ATOM 2050 CE LYS A 127 -15.826 14.377 -6.771 1.00 0.00 C ATOM 2051 NZ LYS A 127 -16.210 13.350 -5.778 1.00 0.00 N ATOM 0 H LYS A 127 -12.410 13.797 -12.230 1.00 0.00 H new ATOM 0 HA LYS A 127 -14.196 15.867 -11.088 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -12.925 13.645 -9.628 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -12.644 15.240 -8.959 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -15.023 15.693 -8.788 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -15.428 14.292 -9.760 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -15.063 12.790 -8.018 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -13.817 13.777 -7.279 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -15.413 15.247 -6.261 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -16.709 14.715 -7.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -16.284 13.787 -4.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -17.128 12.939 -6.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -15.489 12.601 -5.756 1.00 0.00 H new