USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 654 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 94 ASN : amide:sc= -0.166 X(o=-0.17,f=0) USER MOD Set 1.2: A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 82 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 88 GLN : amide:sc=-0.00618 X(o=-0.0062,f=0) USER MOD Set 3.1: A 20 LYS NZ :NH3+ 166:sc= -6.23! (180deg=-7.67!) USER MOD Set 3.2: A 77 TYR OH : rot -57:sc= -1.55 USER MOD Set 4.1: A 10 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 GLN : amide:sc= -3.54! C(o=-3.5!,f=-3.3!) USER MOD Single : A 15 SER OG : rot 180:sc= -0.628 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.105 X(o=-0.1,f=0) USER MOD Single : A 36 SER OG : rot -12:sc= 0.835 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN :FLIP amide:sc= 0.838 F(o=-0.7,f=0.84) USER MOD Single : A 49 GLN : amide:sc= -0.308 K(o=-0.31,f=-1.8!) USER MOD Single : A 50 GLN : amide:sc= -0.998 K(o=-1,f=-5.9!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.0722 X(o=-0.072,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -142:sc= -1.06! USER MOD Single : A 63 THR OG1 : rot -32:sc= 0.27 USER MOD Single : A 65 THR OG1 : rot 89:sc= 1.29 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.354 X(o=-0.35,f=-0.36) USER MOD Single : A 70 ASN :FLIP amide:sc= -0.526 F(o=-1.4,f=-0.53) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 72:sc= 0.661 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 43 N LEU A 3 -16.653 3.493 3.295 1.00 0.00 N ATOM 44 CA LEU A 3 -15.328 2.870 3.187 1.00 0.00 C ATOM 45 C LEU A 3 -14.267 3.701 3.916 1.00 0.00 C ATOM 46 O LEU A 3 -14.266 4.931 3.849 1.00 0.00 O ATOM 47 CB LEU A 3 -14.921 2.634 1.704 1.00 0.00 C ATOM 48 CG LEU A 3 -15.769 3.349 0.628 1.00 0.00 C ATOM 49 CD1 LEU A 3 -14.943 3.630 -0.621 1.00 0.00 C ATOM 50 CD2 LEU A 3 -17.001 2.523 0.276 1.00 0.00 C ATOM 0 HA LEU A 3 -15.390 1.895 3.670 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.884 2.946 1.582 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -14.956 1.562 1.508 1.00 0.00 H new ATOM 0 HG LEU A 3 -16.098 4.303 1.040 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -15.564 4.134 -1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -14.098 4.267 -0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -14.576 2.690 -1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -17.584 3.045 -0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -16.690 1.552 -0.109 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -17.611 2.381 1.168 1.00 0.00 H new ATOM 62 N GLN A 4 -13.367 3.000 4.608 1.00 0.00 N ATOM 63 CA GLN A 4 -12.282 3.621 5.364 1.00 0.00 C ATOM 64 C GLN A 4 -10.986 2.901 5.044 1.00 0.00 C ATOM 65 O GLN A 4 -11.009 1.695 4.793 1.00 0.00 O ATOM 66 CB GLN A 4 -12.562 3.495 6.858 1.00 0.00 C ATOM 67 CG GLN A 4 -11.616 4.281 7.765 1.00 0.00 C ATOM 68 CD GLN A 4 -10.860 3.410 8.762 1.00 0.00 C ATOM 69 OE1 GLN A 4 -11.079 3.506 9.969 1.00 0.00 O ATOM 70 NE2 GLN A 4 -9.965 2.556 8.266 1.00 0.00 N ATOM 0 H GLN A 4 -13.372 1.981 4.659 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.205 4.674 5.095 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -13.583 3.827 7.050 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -12.512 2.442 7.133 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -10.897 4.818 7.147 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -12.189 5.030 8.311 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -9.812 2.506 7.259 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -9.433 1.953 8.894 1.00 0.00 H new ATOM 79 N VAL A 5 -9.863 3.624 5.056 1.00 0.00 N ATOM 80 CA VAL A 5 -8.564 3.011 4.768 1.00 0.00 C ATOM 81 C VAL A 5 -7.434 3.766 5.465 1.00 0.00 C ATOM 82 O VAL A 5 -7.440 4.999 5.509 1.00 0.00 O ATOM 83 CB VAL A 5 -8.240 2.922 3.238 1.00 0.00 C ATOM 84 CG1 VAL A 5 -7.458 1.655 2.937 1.00 0.00 C ATOM 85 CG2 VAL A 5 -9.484 2.967 2.359 1.00 0.00 C ATOM 0 H VAL A 5 -9.826 4.623 5.260 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.635 1.994 5.153 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.642 3.802 3.001 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.240 1.607 1.870 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.524 1.662 3.498 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.048 0.786 3.226 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -9.192 2.901 1.311 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.135 2.129 2.607 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.016 3.903 2.529 1.00 0.00 H new ATOM 95 N ASP A 6 -6.460 3.017 5.994 1.00 0.00 N ATOM 96 CA ASP A 6 -5.313 3.615 6.678 1.00 0.00 C ATOM 97 C ASP A 6 -4.112 2.676 6.633 1.00 0.00 C ATOM 98 O ASP A 6 -4.239 1.492 6.950 1.00 0.00 O ATOM 99 CB ASP A 6 -5.663 3.943 8.131 1.00 0.00 C ATOM 100 CG ASP A 6 -6.752 4.991 8.246 1.00 0.00 C ATOM 101 OD1 ASP A 6 -7.942 4.610 8.272 1.00 0.00 O ATOM 102 OD2 ASP A 6 -6.417 6.192 8.310 1.00 0.00 O ATOM 0 H ASP A 6 -6.445 1.998 5.961 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.056 4.540 6.161 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -5.985 3.033 8.638 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.769 4.295 8.646 1.00 0.00 H new ATOM 107 N ILE A 7 -2.950 3.207 6.232 1.00 0.00 N ATOM 108 CA ILE A 7 -1.726 2.404 6.141 1.00 0.00 C ATOM 109 C ILE A 7 -0.930 2.467 7.448 1.00 0.00 C ATOM 110 O ILE A 7 -0.667 3.553 7.969 1.00 0.00 O ATOM 111 CB ILE A 7 -0.817 2.848 4.963 1.00 0.00 C ATOM 112 CG1 ILE A 7 -1.638 3.019 3.674 1.00 0.00 C ATOM 113 CG2 ILE A 7 0.302 1.829 4.752 1.00 0.00 C ATOM 114 CD1 ILE A 7 -0.836 3.516 2.487 1.00 0.00 C ATOM 0 H ILE A 7 -2.833 4.185 5.967 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.044 1.378 5.957 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.374 3.812 5.212 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.092 2.062 3.416 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.453 3.717 3.866 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.934 2.149 3.924 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.902 1.755 5.659 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.131 0.855 4.523 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.490 3.609 1.620 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.404 4.489 2.722 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.037 2.808 2.265 1.00 0.00 H new ATOM 126 N VAL A 8 -0.539 1.292 7.967 1.00 0.00 N ATOM 127 CA VAL A 8 0.237 1.200 9.203 1.00 0.00 C ATOM 128 C VAL A 8 1.633 0.617 8.895 1.00 0.00 C ATOM 129 O VAL A 8 1.719 -0.475 8.331 1.00 0.00 O ATOM 130 CB VAL A 8 -0.481 0.300 10.241 1.00 0.00 C ATOM 131 CG1 VAL A 8 0.254 0.300 11.578 1.00 0.00 C ATOM 132 CG2 VAL A 8 -1.927 0.742 10.437 1.00 0.00 C ATOM 0 H VAL A 8 -0.752 0.389 7.542 1.00 0.00 H new ATOM 0 HA VAL A 8 0.337 2.201 9.622 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.477 -0.717 9.849 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.275 -0.340 12.284 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.267 -0.076 11.436 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.295 1.316 11.970 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.409 0.095 11.170 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.948 1.772 10.793 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.460 0.675 9.488 1.00 0.00 H new ATOM 142 N PRO A 9 2.754 1.311 9.245 1.00 0.00 N ATOM 143 CA PRO A 9 2.765 2.621 9.921 1.00 0.00 C ATOM 144 C PRO A 9 2.535 3.777 8.948 1.00 0.00 C ATOM 145 O PRO A 9 2.361 3.559 7.748 1.00 0.00 O ATOM 146 CB PRO A 9 4.172 2.683 10.510 1.00 0.00 C ATOM 147 CG PRO A 9 5.008 1.929 9.537 1.00 0.00 C ATOM 148 CD PRO A 9 4.130 0.832 8.991 1.00 0.00 C ATOM 0 HA PRO A 9 1.969 2.716 10.660 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.515 3.712 10.616 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.209 2.231 11.501 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.359 2.581 8.737 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.892 1.515 10.022 1.00 0.00 H new ATOM 0 HD2 PRO A 9 4.307 0.672 7.927 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.320 -0.117 9.492 1.00 0.00 H new ATOM 156 N SER A 10 2.544 5.005 9.475 1.00 0.00 N ATOM 157 CA SER A 10 2.348 6.201 8.656 1.00 0.00 C ATOM 158 C SER A 10 3.638 6.555 7.917 1.00 0.00 C ATOM 159 O SER A 10 3.608 6.918 6.739 1.00 0.00 O ATOM 160 CB SER A 10 1.902 7.377 9.527 1.00 0.00 C ATOM 161 OG SER A 10 2.883 7.694 10.499 1.00 0.00 O ATOM 0 H SER A 10 2.685 5.195 10.467 1.00 0.00 H new ATOM 0 HA SER A 10 1.568 5.994 7.923 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.714 8.248 8.899 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.962 7.131 10.021 1.00 0.00 H new ATOM 0 HG SER A 10 2.574 8.450 11.041 1.00 0.00 H new ATOM 167 N GLN A 11 4.770 6.429 8.619 1.00 0.00 N ATOM 168 CA GLN A 11 6.087 6.713 8.048 1.00 0.00 C ATOM 169 C GLN A 11 7.050 5.580 8.388 1.00 0.00 C ATOM 170 O GLN A 11 7.302 5.315 9.567 1.00 0.00 O ATOM 171 CB GLN A 11 6.632 8.040 8.581 1.00 0.00 C ATOM 172 CG GLN A 11 6.672 8.118 10.100 1.00 0.00 C ATOM 173 CD GLN A 11 6.609 9.546 10.615 1.00 0.00 C ATOM 174 OE1 GLN A 11 5.527 10.079 10.860 1.00 0.00 O ATOM 175 NE2 GLN A 11 7.771 10.176 10.784 1.00 0.00 N ATOM 0 H GLN A 11 4.797 6.129 9.593 1.00 0.00 H new ATOM 0 HA GLN A 11 5.989 6.792 6.965 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.639 8.192 8.191 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.016 8.855 8.200 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.837 7.551 10.511 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.586 7.646 10.460 1.00 0.00 H new ATOM 0 HE21 GLN A 11 8.646 9.698 10.569 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.785 11.136 11.128 1.00 0.00 H new ATOM 184 N GLY A 12 7.567 4.897 7.356 1.00 0.00 N ATOM 185 CA GLY A 12 8.479 3.774 7.577 1.00 0.00 C ATOM 186 C GLY A 12 9.867 3.983 6.997 1.00 0.00 C ATOM 187 O GLY A 12 10.079 3.763 5.803 1.00 0.00 O ATOM 0 H GLY A 12 7.371 5.101 6.376 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.567 3.596 8.649 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.045 2.875 7.139 1.00 0.00 H new ATOM 191 N GLU A 13 10.819 4.376 7.853 1.00 0.00 N ATOM 192 CA GLU A 13 12.206 4.580 7.434 1.00 0.00 C ATOM 193 C GLU A 13 12.967 3.256 7.536 1.00 0.00 C ATOM 194 O GLU A 13 12.855 2.556 8.545 1.00 0.00 O ATOM 195 CB GLU A 13 12.871 5.648 8.306 1.00 0.00 C ATOM 196 CG GLU A 13 12.526 7.073 7.897 1.00 0.00 C ATOM 197 CD GLU A 13 12.573 8.046 9.060 1.00 0.00 C ATOM 198 OE1 GLU A 13 13.550 7.995 9.838 1.00 0.00 O ATOM 199 OE2 GLU A 13 11.634 8.858 9.193 1.00 0.00 O ATOM 0 H GLU A 13 10.650 4.559 8.842 1.00 0.00 H new ATOM 0 HA GLU A 13 12.224 4.924 6.400 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.573 5.495 9.343 1.00 0.00 H new ATOM 0 HB3 GLU A 13 13.952 5.519 8.262 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.221 7.403 7.125 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.529 7.088 7.456 1.00 0.00 H new ATOM 206 N ILE A 14 13.712 2.901 6.481 1.00 0.00 N ATOM 207 CA ILE A 14 14.458 1.635 6.445 1.00 0.00 C ATOM 208 C ILE A 14 15.806 1.807 5.722 1.00 0.00 C ATOM 209 O ILE A 14 16.016 2.783 5.006 1.00 0.00 O ATOM 210 CB ILE A 14 13.576 0.544 5.744 1.00 0.00 C ATOM 211 CG1 ILE A 14 12.317 0.267 6.590 1.00 0.00 C ATOM 212 CG2 ILE A 14 14.329 -0.766 5.467 1.00 0.00 C ATOM 213 CD1 ILE A 14 11.110 1.083 6.171 1.00 0.00 C ATOM 0 H ILE A 14 13.815 3.471 5.642 1.00 0.00 H new ATOM 0 HA ILE A 14 14.680 1.318 7.464 1.00 0.00 H new ATOM 0 HB ILE A 14 13.294 0.946 4.771 1.00 0.00 H new ATOM 0 HG12 ILE A 14 12.070 -0.792 6.522 1.00 0.00 H new ATOM 0 HG13 ILE A 14 12.540 0.475 7.636 1.00 0.00 H new ATOM 0 HG21 ILE A 14 13.659 -1.475 4.981 1.00 0.00 H new ATOM 0 HG22 ILE A 14 15.180 -0.566 4.816 1.00 0.00 H new ATOM 0 HG23 ILE A 14 14.684 -1.188 6.407 1.00 0.00 H new ATOM 0 HD11 ILE A 14 10.263 0.835 6.811 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.338 2.145 6.266 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.860 0.857 5.134 1.00 0.00 H new ATOM 225 N SER A 15 16.712 0.841 5.914 1.00 0.00 N ATOM 226 CA SER A 15 18.025 0.869 5.269 1.00 0.00 C ATOM 227 C SER A 15 18.019 -0.038 4.038 1.00 0.00 C ATOM 228 O SER A 15 17.248 -1.007 3.968 1.00 0.00 O ATOM 229 CB SER A 15 19.132 0.429 6.243 1.00 0.00 C ATOM 230 OG SER A 15 18.610 -0.308 7.336 1.00 0.00 O ATOM 0 H SER A 15 16.557 0.030 6.513 1.00 0.00 H new ATOM 0 HA SER A 15 18.233 1.894 4.962 1.00 0.00 H new ATOM 0 HB2 SER A 15 19.863 -0.179 5.711 1.00 0.00 H new ATOM 0 HB3 SER A 15 19.659 1.308 6.616 1.00 0.00 H new ATOM 0 HG SER A 15 19.342 -0.572 7.932 1.00 0.00 H new ATOM 236 N VAL A 16 18.900 0.265 3.077 1.00 0.00 N ATOM 237 CA VAL A 16 19.009 -0.533 1.853 1.00 0.00 C ATOM 238 C VAL A 16 19.459 -1.957 2.197 1.00 0.00 C ATOM 239 O VAL A 16 20.276 -2.157 3.101 1.00 0.00 O ATOM 240 CB VAL A 16 19.973 0.136 0.832 1.00 0.00 C ATOM 241 CG1 VAL A 16 20.169 -0.715 -0.433 1.00 0.00 C ATOM 242 CG2 VAL A 16 19.454 1.527 0.476 1.00 0.00 C ATOM 0 H VAL A 16 19.545 1.054 3.124 1.00 0.00 H new ATOM 0 HA VAL A 16 18.028 -0.586 1.381 1.00 0.00 H new ATOM 0 HB VAL A 16 20.953 0.222 1.302 1.00 0.00 H new ATOM 0 HG11 VAL A 16 20.850 -0.204 -1.113 1.00 0.00 H new ATOM 0 HG12 VAL A 16 20.588 -1.683 -0.159 1.00 0.00 H new ATOM 0 HG13 VAL A 16 19.208 -0.862 -0.925 1.00 0.00 H new ATOM 0 HG21 VAL A 16 20.130 1.995 -0.239 1.00 0.00 H new ATOM 0 HG22 VAL A 16 18.461 1.443 0.035 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.401 2.137 1.378 1.00 0.00 H new ATOM 252 N GLY A 17 18.874 -2.937 1.504 1.00 0.00 N ATOM 253 CA GLY A 17 19.171 -4.333 1.780 1.00 0.00 C ATOM 254 C GLY A 17 18.194 -4.945 2.786 1.00 0.00 C ATOM 255 O GLY A 17 18.168 -6.166 2.955 1.00 0.00 O ATOM 0 H GLY A 17 18.198 -2.786 0.755 1.00 0.00 H new ATOM 0 HA2 GLY A 17 19.135 -4.901 0.850 1.00 0.00 H new ATOM 0 HA3 GLY A 17 20.187 -4.417 2.166 1.00 0.00 H new ATOM 259 N GLU A 18 17.383 -4.097 3.455 1.00 0.00 N ATOM 260 CA GLU A 18 16.403 -4.563 4.437 1.00 0.00 C ATOM 261 C GLU A 18 15.011 -4.535 3.814 1.00 0.00 C ATOM 262 O GLU A 18 14.778 -3.789 2.859 1.00 0.00 O ATOM 263 CB GLU A 18 16.419 -3.675 5.694 1.00 0.00 C ATOM 264 CG GLU A 18 17.811 -3.258 6.176 1.00 0.00 C ATOM 265 CD GLU A 18 18.175 -3.824 7.540 1.00 0.00 C ATOM 266 OE1 GLU A 18 18.369 -5.054 7.640 1.00 0.00 O ATOM 267 OE2 GLU A 18 18.268 -3.036 8.504 1.00 0.00 O ATOM 0 H GLU A 18 17.395 -3.085 3.326 1.00 0.00 H new ATOM 0 HA GLU A 18 16.662 -5.581 4.730 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.837 -2.776 5.492 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.916 -4.206 6.502 1.00 0.00 H new ATOM 0 HG2 GLU A 18 18.552 -3.584 5.446 1.00 0.00 H new ATOM 0 HG3 GLU A 18 17.862 -2.170 6.217 1.00 0.00 H new ATOM 274 N SER A 19 14.087 -5.343 4.347 1.00 0.00 N ATOM 275 CA SER A 19 12.718 -5.393 3.822 1.00 0.00 C ATOM 276 C SER A 19 11.780 -4.487 4.627 1.00 0.00 C ATOM 277 O SER A 19 12.138 -4.014 5.707 1.00 0.00 O ATOM 278 CB SER A 19 12.205 -6.833 3.785 1.00 0.00 C ATOM 279 OG SER A 19 12.276 -7.440 5.063 1.00 0.00 O ATOM 0 H SER A 19 14.260 -5.967 5.135 1.00 0.00 H new ATOM 0 HA SER A 19 12.735 -5.016 2.799 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.174 -6.845 3.432 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.792 -7.412 3.072 1.00 0.00 H new ATOM 0 HG SER A 19 11.940 -8.359 5.008 1.00 0.00 H new ATOM 285 N LYS A 20 10.595 -4.220 4.068 1.00 0.00 N ATOM 286 CA LYS A 20 9.607 -3.332 4.699 1.00 0.00 C ATOM 287 C LYS A 20 8.222 -3.539 4.088 1.00 0.00 C ATOM 288 O LYS A 20 8.061 -3.440 2.871 1.00 0.00 O ATOM 289 CB LYS A 20 10.017 -1.845 4.535 1.00 0.00 C ATOM 290 CG LYS A 20 10.771 -1.546 3.236 1.00 0.00 C ATOM 291 CD LYS A 20 10.503 -0.144 2.693 1.00 0.00 C ATOM 292 CE LYS A 20 10.743 -0.088 1.188 1.00 0.00 C ATOM 293 NZ LYS A 20 10.566 1.274 0.620 1.00 0.00 N ATOM 0 H LYS A 20 10.294 -4.608 3.174 1.00 0.00 H new ATOM 0 HA LYS A 20 9.573 -3.581 5.760 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.121 -1.225 4.574 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.641 -1.556 5.380 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.841 -1.663 3.409 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.488 -2.281 2.482 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.475 0.145 2.912 1.00 0.00 H new ATOM 0 HD3 LYS A 20 11.150 0.575 3.195 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.754 -0.436 0.974 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.058 -0.774 0.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.965 1.304 -0.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.553 1.505 0.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.056 1.967 1.221 1.00 0.00 H new ATOM 307 N PHE A 21 7.222 -3.799 4.938 1.00 0.00 N ATOM 308 CA PHE A 21 5.843 -3.994 4.474 1.00 0.00 C ATOM 309 C PHE A 21 4.907 -2.958 5.088 1.00 0.00 C ATOM 310 O PHE A 21 5.185 -2.427 6.167 1.00 0.00 O ATOM 311 CB PHE A 21 5.349 -5.409 4.780 1.00 0.00 C ATOM 312 CG PHE A 21 5.406 -5.785 6.228 1.00 0.00 C ATOM 313 CD1 PHE A 21 4.417 -5.367 7.103 1.00 0.00 C ATOM 314 CD2 PHE A 21 6.440 -6.565 6.710 1.00 0.00 C ATOM 315 CE1 PHE A 21 4.461 -5.722 8.435 1.00 0.00 C ATOM 316 CE2 PHE A 21 6.492 -6.923 8.043 1.00 0.00 C ATOM 317 CZ PHE A 21 5.500 -6.500 8.909 1.00 0.00 C ATOM 0 H PHE A 21 7.341 -3.879 5.948 1.00 0.00 H new ATOM 0 HA PHE A 21 5.840 -3.861 3.392 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.320 -5.504 4.433 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.946 -6.120 4.209 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.603 -4.757 6.739 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.216 -6.898 6.037 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.683 -5.392 9.108 1.00 0.00 H new ATOM 0 HE2 PHE A 21 7.306 -7.532 8.408 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.537 -6.777 9.952 1.00 0.00 H new ATOM 327 N PHE A 22 3.803 -2.654 4.385 1.00 0.00 N ATOM 328 CA PHE A 22 2.834 -1.646 4.863 1.00 0.00 C ATOM 329 C PHE A 22 1.387 -2.159 4.797 1.00 0.00 C ATOM 330 O PHE A 22 0.891 -2.525 3.742 1.00 0.00 O ATOM 331 CB PHE A 22 3.020 -0.357 4.068 1.00 0.00 C ATOM 332 CG PHE A 22 4.412 0.183 4.220 1.00 0.00 C ATOM 333 CD1 PHE A 22 4.731 1.028 5.269 1.00 0.00 C ATOM 334 CD2 PHE A 22 5.409 -0.196 3.339 1.00 0.00 C ATOM 335 CE1 PHE A 22 6.023 1.486 5.438 1.00 0.00 C ATOM 336 CE2 PHE A 22 6.699 0.264 3.495 1.00 0.00 C ATOM 337 CZ PHE A 22 7.009 1.104 4.547 1.00 0.00 C ATOM 0 H PHE A 22 3.558 -3.085 3.493 1.00 0.00 H new ATOM 0 HA PHE A 22 3.029 -1.443 5.916 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.814 -0.544 3.014 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.300 0.388 4.406 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.961 1.332 5.963 1.00 0.00 H new ATOM 0 HD2 PHE A 22 5.174 -0.860 2.520 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.262 2.140 6.263 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.467 -0.032 2.795 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.020 1.462 4.673 1.00 0.00 H new ATOM 347 N LEU A 23 0.739 -2.219 5.962 1.00 0.00 N ATOM 348 CA LEU A 23 -0.631 -2.752 6.088 1.00 0.00 C ATOM 349 C LEU A 23 -1.747 -1.794 5.640 1.00 0.00 C ATOM 350 O LEU A 23 -2.032 -0.819 6.325 1.00 0.00 O ATOM 351 CB LEU A 23 -0.871 -3.132 7.562 1.00 0.00 C ATOM 352 CG LEU A 23 -1.615 -4.440 7.825 1.00 0.00 C ATOM 353 CD1 LEU A 23 -2.897 -4.550 7.005 1.00 0.00 C ATOM 354 CD2 LEU A 23 -0.701 -5.627 7.562 1.00 0.00 C ATOM 0 H LEU A 23 1.141 -1.903 6.844 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.685 -3.608 5.415 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.097 -3.186 8.061 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.429 -2.323 8.035 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.910 -4.444 8.874 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.390 -5.496 7.226 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.563 -3.725 7.259 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.655 -4.507 5.943 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.243 -6.553 7.753 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.370 -5.608 6.524 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.166 -5.572 8.220 1.00 0.00 H new ATOM 366 N CYS A 24 -2.434 -2.129 4.535 1.00 0.00 N ATOM 367 CA CYS A 24 -3.572 -1.326 4.065 1.00 0.00 C ATOM 368 C CYS A 24 -4.843 -1.825 4.758 1.00 0.00 C ATOM 369 O CYS A 24 -5.539 -2.709 4.241 1.00 0.00 O ATOM 370 CB CYS A 24 -3.717 -1.400 2.533 1.00 0.00 C ATOM 371 SG CYS A 24 -5.094 -0.424 1.826 1.00 0.00 S ATOM 0 H CYS A 24 -2.223 -2.942 3.957 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.401 -0.279 4.318 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.785 -1.062 2.080 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.850 -2.444 2.248 1.00 0.00 H new ATOM 376 N GLN A 25 -5.118 -1.268 5.945 1.00 0.00 N ATOM 377 CA GLN A 25 -6.286 -1.650 6.737 1.00 0.00 C ATOM 378 C GLN A 25 -7.540 -0.959 6.205 1.00 0.00 C ATOM 379 O GLN A 25 -7.445 0.065 5.521 1.00 0.00 O ATOM 380 CB GLN A 25 -6.061 -1.300 8.222 1.00 0.00 C ATOM 381 CG GLN A 25 -5.756 -2.506 9.101 1.00 0.00 C ATOM 382 CD GLN A 25 -4.906 -2.150 10.310 1.00 0.00 C ATOM 383 OE1 GLN A 25 -5.396 -1.553 11.268 1.00 0.00 O ATOM 384 NE2 GLN A 25 -3.624 -2.511 10.272 1.00 0.00 N ATOM 0 H GLN A 25 -4.540 -0.547 6.377 1.00 0.00 H new ATOM 0 HA GLN A 25 -6.428 -2.728 6.654 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -5.237 -0.590 8.297 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -6.950 -0.799 8.606 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.692 -2.951 9.438 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.240 -3.261 8.508 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.257 -3.005 9.458 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.009 -2.294 11.057 1.00 0.00 H new ATOM 393 N VAL A 26 -8.710 -1.533 6.518 1.00 0.00 N ATOM 394 CA VAL A 26 -9.988 -0.988 6.062 1.00 0.00 C ATOM 395 C VAL A 26 -11.023 -0.916 7.196 1.00 0.00 C ATOM 396 O VAL A 26 -10.850 -1.543 8.243 1.00 0.00 O ATOM 397 CB VAL A 26 -10.553 -1.843 4.904 1.00 0.00 C ATOM 398 CG1 VAL A 26 -9.633 -1.769 3.694 1.00 0.00 C ATOM 399 CG2 VAL A 26 -10.741 -3.295 5.336 1.00 0.00 C ATOM 0 H VAL A 26 -8.793 -2.376 7.086 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.798 0.027 5.714 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.528 -1.440 4.631 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.044 -2.376 2.887 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.549 -0.734 3.363 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.646 -2.144 3.964 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.139 -3.874 4.503 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.781 -3.711 5.641 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.437 -3.338 6.173 1.00 0.00 H new ATOM 409 N ALA A 27 -12.102 -0.158 6.964 1.00 0.00 N ATOM 410 CA ALA A 27 -13.180 -0.010 7.948 1.00 0.00 C ATOM 411 C ALA A 27 -14.469 0.476 7.272 1.00 0.00 C ATOM 412 O ALA A 27 -14.449 1.452 6.519 1.00 0.00 O ATOM 413 CB ALA A 27 -12.753 0.935 9.075 1.00 0.00 C ATOM 0 H ALA A 27 -12.251 0.364 6.100 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.383 -0.986 8.388 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.565 1.033 9.795 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -11.872 0.531 9.574 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.517 1.915 8.659 1.00 0.00 H new ATOM 504 N ASP A 34 -12.887 -3.096 -2.976 1.00 0.00 N ATOM 505 CA ASP A 34 -11.686 -3.547 -3.689 1.00 0.00 C ATOM 506 C ASP A 34 -10.455 -2.816 -3.152 1.00 0.00 C ATOM 507 O ASP A 34 -10.597 -1.756 -2.549 1.00 0.00 O ATOM 508 CB ASP A 34 -11.833 -3.292 -5.192 1.00 0.00 C ATOM 509 CG ASP A 34 -12.768 -4.284 -5.858 1.00 0.00 C ATOM 510 OD1 ASP A 34 -12.353 -5.444 -6.064 1.00 0.00 O ATOM 511 OD2 ASP A 34 -13.915 -3.901 -6.172 1.00 0.00 O ATOM 0 HA ASP A 34 -11.563 -4.618 -3.527 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.207 -2.281 -5.351 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.852 -3.347 -5.665 1.00 0.00 H new ATOM 516 N ILE A 35 -9.255 -3.385 -3.369 1.00 0.00 N ATOM 517 CA ILE A 35 -7.993 -2.778 -2.896 1.00 0.00 C ATOM 518 C ILE A 35 -7.030 -2.512 -4.069 1.00 0.00 C ATOM 519 O ILE A 35 -7.150 -3.123 -5.133 1.00 0.00 O ATOM 520 CB ILE A 35 -7.284 -3.683 -1.841 1.00 0.00 C ATOM 521 CG1 ILE A 35 -8.252 -4.061 -0.709 1.00 0.00 C ATOM 522 CG2 ILE A 35 -6.045 -2.996 -1.261 1.00 0.00 C ATOM 523 CD1 ILE A 35 -9.094 -5.284 -1.008 1.00 0.00 C ATOM 0 H ILE A 35 -9.131 -4.265 -3.869 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.255 -1.830 -2.426 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.965 -4.592 -2.351 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.680 -4.239 0.202 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.912 -3.217 -0.511 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.574 -3.652 -0.529 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.339 -2.781 -2.063 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.339 -2.065 -0.777 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.752 -5.488 -0.163 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.694 -5.103 -1.900 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.443 -6.142 -1.176 1.00 0.00 H new ATOM 535 N SER A 36 -6.074 -1.592 -3.857 1.00 0.00 N ATOM 536 CA SER A 36 -5.084 -1.232 -4.877 1.00 0.00 C ATOM 537 C SER A 36 -3.858 -0.567 -4.235 1.00 0.00 C ATOM 538 O SER A 36 -3.937 -0.079 -3.105 1.00 0.00 O ATOM 539 CB SER A 36 -5.713 -0.285 -5.902 1.00 0.00 C ATOM 540 OG SER A 36 -6.802 -0.903 -6.568 1.00 0.00 O ATOM 0 H SER A 36 -5.969 -1.082 -2.980 1.00 0.00 H new ATOM 0 HA SER A 36 -4.759 -2.143 -5.379 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.055 0.621 -5.402 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.961 0.018 -6.631 1.00 0.00 H new ATOM 0 HG SER A 36 -6.804 -1.863 -6.371 1.00 0.00 H new ATOM 546 N TRP A 37 -2.728 -0.543 -4.962 1.00 0.00 N ATOM 547 CA TRP A 37 -1.486 0.071 -4.460 1.00 0.00 C ATOM 548 C TRP A 37 -0.802 0.906 -5.550 1.00 0.00 C ATOM 549 O TRP A 37 -0.614 0.437 -6.680 1.00 0.00 O ATOM 550 CB TRP A 37 -0.516 -1.002 -3.941 1.00 0.00 C ATOM 551 CG TRP A 37 -0.792 -1.440 -2.529 1.00 0.00 C ATOM 552 CD1 TRP A 37 -1.565 -2.498 -2.144 1.00 0.00 C ATOM 553 CD2 TRP A 37 -0.303 -0.839 -1.315 1.00 0.00 C ATOM 554 NE1 TRP A 37 -1.590 -2.593 -0.774 1.00 0.00 N ATOM 555 CE2 TRP A 37 -0.828 -1.587 -0.243 1.00 0.00 C ATOM 556 CE3 TRP A 37 0.524 0.256 -1.027 1.00 0.00 C ATOM 557 CZ2 TRP A 37 -0.554 -1.276 1.088 1.00 0.00 C ATOM 558 CZ3 TRP A 37 0.790 0.566 0.297 1.00 0.00 C ATOM 559 CH2 TRP A 37 0.252 -0.197 1.338 1.00 0.00 C ATOM 0 H TRP A 37 -2.649 -0.941 -5.898 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.757 0.730 -3.635 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.566 -1.871 -4.597 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.502 -0.617 -3.999 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -2.082 -3.164 -2.819 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.095 -3.299 -0.238 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.947 0.849 -1.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -0.963 -1.866 1.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.423 1.410 0.529 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.477 0.070 2.360 1.00 0.00 H new ATOM 570 N PHE A 38 -0.429 2.151 -5.203 1.00 0.00 N ATOM 571 CA PHE A 38 0.229 3.061 -6.150 1.00 0.00 C ATOM 572 C PHE A 38 1.624 3.475 -5.691 1.00 0.00 C ATOM 573 O PHE A 38 1.785 4.118 -4.653 1.00 0.00 O ATOM 574 CB PHE A 38 -0.640 4.297 -6.381 1.00 0.00 C ATOM 575 CG PHE A 38 -1.946 3.976 -7.048 1.00 0.00 C ATOM 576 CD1 PHE A 38 -3.036 3.569 -6.300 1.00 0.00 C ATOM 577 CD2 PHE A 38 -2.076 4.067 -8.425 1.00 0.00 C ATOM 578 CE1 PHE A 38 -4.237 3.259 -6.911 1.00 0.00 C ATOM 579 CE2 PHE A 38 -3.274 3.755 -9.042 1.00 0.00 C ATOM 580 CZ PHE A 38 -4.355 3.352 -8.284 1.00 0.00 C ATOM 0 H PHE A 38 -0.573 2.547 -4.274 1.00 0.00 H new ATOM 0 HA PHE A 38 0.350 2.518 -7.087 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.836 4.781 -5.424 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.091 5.012 -6.994 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.948 3.492 -5.226 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.234 4.385 -9.022 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.081 2.945 -6.316 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.364 3.827 -10.116 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.292 3.110 -8.764 1.00 0.00 H new ATOM 590 N SER A 39 2.632 3.104 -6.493 1.00 0.00 N ATOM 591 CA SER A 39 4.023 3.431 -6.203 1.00 0.00 C ATOM 592 C SER A 39 4.255 4.946 -6.272 1.00 0.00 C ATOM 593 O SER A 39 3.525 5.647 -7.004 1.00 0.00 O ATOM 594 CB SER A 39 4.976 2.717 -7.169 1.00 0.00 C ATOM 595 OG SER A 39 4.594 2.929 -8.516 1.00 0.00 O ATOM 0 H SER A 39 2.501 2.573 -7.354 1.00 0.00 H new ATOM 0 HA SER A 39 4.233 3.086 -5.191 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.992 3.079 -7.015 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.983 1.648 -6.954 1.00 0.00 H new ATOM 0 HG SER A 39 5.219 2.464 -9.110 1.00 0.00 H new ATOM 601 N PRO A 40 5.279 5.458 -5.501 1.00 0.00 N ATOM 602 CA PRO A 40 5.640 6.896 -5.414 1.00 0.00 C ATOM 603 C PRO A 40 5.777 7.637 -6.743 1.00 0.00 C ATOM 604 O PRO A 40 5.737 8.871 -6.755 1.00 0.00 O ATOM 605 CB PRO A 40 6.985 6.879 -4.688 1.00 0.00 C ATOM 606 CG PRO A 40 6.916 5.679 -3.822 1.00 0.00 C ATOM 607 CD PRO A 40 6.171 4.651 -4.620 1.00 0.00 C ATOM 0 HA PRO A 40 4.839 7.441 -4.914 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.816 6.816 -5.391 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.132 7.786 -4.101 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.914 5.326 -3.561 1.00 0.00 H new ATOM 0 HG3 PRO A 40 6.401 5.899 -2.887 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.850 4.028 -5.202 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.599 3.983 -3.976 1.00 0.00 H new ATOM 651 N LYS A 44 0.153 2.831 -10.282 1.00 0.00 N ATOM 652 CA LYS A 44 -0.054 1.509 -9.664 1.00 0.00 C ATOM 653 C LYS A 44 1.110 0.557 -9.939 1.00 0.00 C ATOM 654 O LYS A 44 1.632 0.511 -11.055 1.00 0.00 O ATOM 655 CB LYS A 44 -1.369 0.886 -10.137 1.00 0.00 C ATOM 656 CG LYS A 44 -1.998 -0.038 -9.102 1.00 0.00 C ATOM 657 CD LYS A 44 -3.027 -0.959 -9.738 1.00 0.00 C ATOM 658 CE LYS A 44 -3.994 -1.516 -8.707 1.00 0.00 C ATOM 659 NZ LYS A 44 -4.654 -2.765 -9.181 1.00 0.00 N ATOM 0 HA LYS A 44 -0.104 1.667 -8.587 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.074 1.681 -10.382 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.189 0.326 -11.054 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.221 -0.633 -8.622 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.472 0.556 -8.321 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.582 -0.413 -10.501 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.518 -1.781 -10.241 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.459 -1.718 -7.779 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.753 -0.768 -8.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.306 -3.113 -8.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.186 -2.567 -10.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.932 -3.488 -9.373 1.00 0.00 H new ATOM 673 N LEU A 45 1.515 -0.195 -8.906 1.00 0.00 N ATOM 674 CA LEU A 45 2.630 -1.144 -9.028 1.00 0.00 C ATOM 675 C LEU A 45 2.133 -2.595 -8.961 1.00 0.00 C ATOM 676 O LEU A 45 1.301 -2.938 -8.119 1.00 0.00 O ATOM 677 CB LEU A 45 3.718 -0.842 -7.973 1.00 0.00 C ATOM 678 CG LEU A 45 3.513 -1.388 -6.549 1.00 0.00 C ATOM 679 CD1 LEU A 45 4.677 -0.972 -5.655 1.00 0.00 C ATOM 680 CD2 LEU A 45 2.202 -0.904 -5.953 1.00 0.00 C ATOM 0 H LEU A 45 1.089 -0.165 -7.980 1.00 0.00 H new ATOM 0 HA LEU A 45 3.089 -1.018 -10.009 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.664 -1.232 -8.348 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.825 0.241 -7.904 1.00 0.00 H new ATOM 0 HG LEU A 45 3.475 -2.476 -6.610 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.522 -1.364 -4.650 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.607 -1.370 -6.060 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.735 0.116 -5.616 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.089 -1.308 -4.947 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.203 0.185 -5.909 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.373 -1.241 -6.575 1.00 0.00 H new ATOM 692 N SER A 46 2.635 -3.430 -9.878 1.00 0.00 N ATOM 693 CA SER A 46 2.234 -4.839 -9.959 1.00 0.00 C ATOM 694 C SER A 46 2.733 -5.652 -8.754 1.00 0.00 C ATOM 695 O SER A 46 3.685 -5.251 -8.086 1.00 0.00 O ATOM 696 CB SER A 46 2.750 -5.463 -11.260 1.00 0.00 C ATOM 697 OG SER A 46 1.923 -5.112 -12.356 1.00 0.00 O ATOM 0 H SER A 46 3.323 -3.152 -10.578 1.00 0.00 H new ATOM 0 HA SER A 46 1.144 -4.867 -9.948 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.770 -5.128 -11.448 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.784 -6.548 -11.159 1.00 0.00 H new ATOM 0 HG SER A 46 2.274 -5.521 -13.175 1.00 0.00 H new ATOM 703 N PRO A 47 2.083 -6.812 -8.453 1.00 0.00 N ATOM 704 CA PRO A 47 2.463 -7.667 -7.321 1.00 0.00 C ATOM 705 C PRO A 47 3.575 -8.669 -7.656 1.00 0.00 C ATOM 706 O PRO A 47 4.318 -9.093 -6.768 1.00 0.00 O ATOM 707 CB PRO A 47 1.159 -8.401 -7.021 1.00 0.00 C ATOM 708 CG PRO A 47 0.520 -8.580 -8.355 1.00 0.00 C ATOM 709 CD PRO A 47 0.915 -7.379 -9.179 1.00 0.00 C ATOM 0 HA PRO A 47 2.869 -7.089 -6.491 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.345 -9.360 -6.537 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.523 -7.824 -6.350 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.857 -9.503 -8.827 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.564 -8.647 -8.261 1.00 0.00 H new ATOM 0 HD2 PRO A 47 1.178 -7.663 -10.198 1.00 0.00 H new ATOM 0 HD3 PRO A 47 0.101 -6.658 -9.249 1.00 0.00 H new ATOM 717 N ASN A 48 3.682 -9.052 -8.935 1.00 0.00 N ATOM 718 CA ASN A 48 4.694 -10.011 -9.390 1.00 0.00 C ATOM 719 C ASN A 48 5.582 -9.373 -10.464 1.00 0.00 C ATOM 720 O ASN A 48 5.523 -9.733 -11.645 1.00 0.00 O ATOM 721 CB ASN A 48 4.025 -11.295 -9.918 1.00 0.00 C ATOM 722 CG ASN A 48 2.895 -11.022 -10.904 1.00 0.00 C ATOM 723 OD1 ASN A 48 1.662 -11.324 -10.502 1.00 0.00 O flip ATOM 724 ND2 ASN A 48 3.128 -10.548 -12.016 1.00 0.00 N flip ATOM 0 H ASN A 48 3.074 -8.708 -9.678 1.00 0.00 H new ATOM 0 HA ASN A 48 5.323 -10.285 -8.543 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.778 -11.917 -10.402 1.00 0.00 H new ATOM 0 HB3 ASN A 48 3.634 -11.866 -9.076 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.087 -10.330 -12.287 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.362 -10.373 -12.667 1.00 0.00 H new ATOM 731 N GLN A 49 6.404 -8.410 -10.037 1.00 0.00 N ATOM 732 CA GLN A 49 7.311 -7.696 -10.947 1.00 0.00 C ATOM 733 C GLN A 49 8.757 -7.702 -10.443 1.00 0.00 C ATOM 734 O GLN A 49 9.650 -8.195 -11.136 1.00 0.00 O ATOM 735 CB GLN A 49 6.837 -6.247 -11.184 1.00 0.00 C ATOM 736 CG GLN A 49 6.321 -5.513 -9.938 1.00 0.00 C ATOM 737 CD GLN A 49 7.122 -4.264 -9.593 1.00 0.00 C ATOM 738 OE1 GLN A 49 7.787 -3.685 -10.452 1.00 0.00 O ATOM 739 NE2 GLN A 49 7.060 -3.839 -8.332 1.00 0.00 N ATOM 0 H GLN A 49 6.462 -8.105 -9.065 1.00 0.00 H new ATOM 0 HA GLN A 49 7.287 -8.233 -11.896 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.664 -5.676 -11.605 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.045 -6.259 -11.932 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.279 -5.235 -10.096 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.344 -6.196 -9.089 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.497 -4.347 -7.650 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.575 -3.006 -8.049 1.00 0.00 H new ATOM 748 N GLN A 50 8.991 -7.140 -9.250 1.00 0.00 N ATOM 749 CA GLN A 50 10.343 -7.068 -8.674 1.00 0.00 C ATOM 750 C GLN A 50 10.304 -7.304 -7.150 1.00 0.00 C ATOM 751 O GLN A 50 9.342 -7.876 -6.636 1.00 0.00 O ATOM 752 CB GLN A 50 10.983 -5.700 -9.002 1.00 0.00 C ATOM 753 CG GLN A 50 10.803 -5.242 -10.441 1.00 0.00 C ATOM 754 CD GLN A 50 11.657 -6.031 -11.422 1.00 0.00 C ATOM 755 OE1 GLN A 50 12.006 -7.185 -11.169 1.00 0.00 O ATOM 756 NE2 GLN A 50 12.002 -5.412 -12.549 1.00 0.00 N ATOM 0 H GLN A 50 8.264 -6.729 -8.665 1.00 0.00 H new ATOM 0 HA GLN A 50 10.954 -7.855 -9.117 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.557 -4.947 -8.339 1.00 0.00 H new ATOM 0 HB3 GLN A 50 12.049 -5.751 -8.782 1.00 0.00 H new ATOM 0 HG2 GLN A 50 9.754 -5.339 -10.720 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.056 -4.184 -10.515 1.00 0.00 H new ATOM 0 HE21 GLN A 50 11.692 -4.455 -12.721 1.00 0.00 H new ATOM 0 HE22 GLN A 50 12.576 -5.894 -13.241 1.00 0.00 H new ATOM 765 N ARG A 51 11.356 -6.862 -6.425 1.00 0.00 N ATOM 766 CA ARG A 51 11.452 -7.022 -4.963 1.00 0.00 C ATOM 767 C ARG A 51 10.168 -6.610 -4.221 1.00 0.00 C ATOM 768 O ARG A 51 9.911 -7.098 -3.115 1.00 0.00 O ATOM 769 CB ARG A 51 12.636 -6.210 -4.428 1.00 0.00 C ATOM 770 CG ARG A 51 13.975 -6.617 -5.043 1.00 0.00 C ATOM 771 CD ARG A 51 14.861 -5.414 -5.352 1.00 0.00 C ATOM 772 NE ARG A 51 14.228 -4.491 -6.300 1.00 0.00 N ATOM 773 CZ ARG A 51 14.218 -4.648 -7.632 1.00 0.00 C ATOM 774 NH1 ARG A 51 14.814 -5.688 -8.215 1.00 0.00 N ATOM 775 NH2 ARG A 51 13.607 -3.749 -8.390 1.00 0.00 N ATOM 0 H ARG A 51 12.158 -6.386 -6.839 1.00 0.00 H new ATOM 0 HA ARG A 51 11.601 -8.085 -4.774 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.460 -5.152 -4.624 1.00 0.00 H new ATOM 0 HB3 ARG A 51 12.690 -6.329 -3.346 1.00 0.00 H new ATOM 0 HG2 ARG A 51 14.499 -7.284 -4.359 1.00 0.00 H new ATOM 0 HG3 ARG A 51 13.795 -7.178 -5.960 1.00 0.00 H new ATOM 0 HD2 ARG A 51 15.087 -4.884 -4.427 1.00 0.00 H new ATOM 0 HD3 ARG A 51 15.810 -5.759 -5.762 1.00 0.00 H new ATOM 0 HE ARG A 51 13.761 -3.669 -5.918 1.00 0.00 H new ATOM 0 HH11 ARG A 51 15.292 -6.387 -7.646 1.00 0.00 H new ATOM 0 HH12 ARG A 51 14.792 -5.785 -9.230 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.149 -2.945 -7.960 1.00 0.00 H new ATOM 0 HH22 ARG A 51 13.595 -3.861 -9.404 1.00 0.00 H new ATOM 789 N ILE A 52 9.374 -5.713 -4.826 1.00 0.00 N ATOM 790 CA ILE A 52 8.126 -5.256 -4.211 1.00 0.00 C ATOM 791 C ILE A 52 6.984 -6.230 -4.532 1.00 0.00 C ATOM 792 O ILE A 52 6.495 -6.279 -5.663 1.00 0.00 O ATOM 793 CB ILE A 52 7.752 -3.815 -4.667 1.00 0.00 C ATOM 794 CG1 ILE A 52 8.940 -2.865 -4.430 1.00 0.00 C ATOM 795 CG2 ILE A 52 6.504 -3.322 -3.929 1.00 0.00 C ATOM 796 CD1 ILE A 52 8.703 -1.430 -4.867 1.00 0.00 C ATOM 0 H ILE A 52 9.575 -5.294 -5.734 1.00 0.00 H new ATOM 0 HA ILE A 52 8.280 -5.231 -3.132 1.00 0.00 H new ATOM 0 HB ILE A 52 7.526 -3.831 -5.733 1.00 0.00 H new ATOM 0 HG12 ILE A 52 9.186 -2.871 -3.368 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.809 -3.253 -4.961 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.259 -2.313 -4.262 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.668 -3.988 -4.143 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.695 -3.314 -2.856 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.593 -0.835 -4.661 1.00 0.00 H new ATOM 0 HD12 ILE A 52 8.489 -1.406 -5.936 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.856 -1.018 -4.318 1.00 0.00 H new ATOM 808 N SER A 53 6.575 -7.012 -3.524 1.00 0.00 N ATOM 809 CA SER A 53 5.506 -8.002 -3.674 1.00 0.00 C ATOM 810 C SER A 53 4.263 -7.615 -2.863 1.00 0.00 C ATOM 811 O SER A 53 4.344 -7.435 -1.649 1.00 0.00 O ATOM 812 CB SER A 53 6.018 -9.368 -3.215 1.00 0.00 C ATOM 813 OG SER A 53 5.259 -10.418 -3.786 1.00 0.00 O ATOM 0 H SER A 53 6.975 -6.975 -2.587 1.00 0.00 H new ATOM 0 HA SER A 53 5.219 -8.041 -4.725 1.00 0.00 H new ATOM 0 HB2 SER A 53 7.066 -9.479 -3.495 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.970 -9.431 -2.128 1.00 0.00 H new ATOM 0 HG SER A 53 5.609 -11.280 -3.477 1.00 0.00 H new ATOM 819 N VAL A 54 3.114 -7.497 -3.543 1.00 0.00 N ATOM 820 CA VAL A 54 1.846 -7.138 -2.884 1.00 0.00 C ATOM 821 C VAL A 54 1.078 -8.401 -2.482 1.00 0.00 C ATOM 822 O VAL A 54 1.324 -9.478 -3.031 1.00 0.00 O ATOM 823 CB VAL A 54 0.936 -6.272 -3.800 1.00 0.00 C ATOM 824 CG1 VAL A 54 -0.221 -5.671 -3.012 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.728 -5.168 -4.494 1.00 0.00 C ATOM 0 H VAL A 54 3.034 -7.645 -4.549 1.00 0.00 H new ATOM 0 HA VAL A 54 2.104 -6.554 -2.000 1.00 0.00 H new ATOM 0 HB VAL A 54 0.530 -6.932 -4.567 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.841 -5.070 -3.677 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.822 -6.471 -2.580 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.171 -5.041 -2.214 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.060 -4.583 -5.126 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.180 -4.518 -3.745 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.511 -5.613 -5.108 1.00 0.00 H new ATOM 835 N VAL A 55 0.149 -8.266 -1.526 1.00 0.00 N ATOM 836 CA VAL A 55 -0.647 -9.405 -1.060 1.00 0.00 C ATOM 837 C VAL A 55 -2.000 -8.949 -0.491 1.00 0.00 C ATOM 838 O VAL A 55 -2.125 -7.841 0.013 1.00 0.00 O ATOM 839 CB VAL A 55 0.131 -10.222 0.015 1.00 0.00 C ATOM 840 CG1 VAL A 55 0.497 -9.348 1.209 1.00 0.00 C ATOM 841 CG2 VAL A 55 -0.649 -11.456 0.475 1.00 0.00 C ATOM 0 H VAL A 55 -0.068 -7.383 -1.063 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.835 -10.044 -1.923 1.00 0.00 H new ATOM 0 HB VAL A 55 1.050 -10.570 -0.456 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.039 -9.944 1.943 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.126 -8.522 0.876 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.412 -8.952 1.662 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.069 -11.995 1.224 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.600 -11.145 0.907 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.835 -12.108 -0.378 1.00 0.00 H new ATOM 851 N TRP A 56 -2.991 -9.839 -0.550 1.00 0.00 N ATOM 852 CA TRP A 56 -4.325 -9.574 -0.012 1.00 0.00 C ATOM 853 C TRP A 56 -4.671 -10.705 0.948 1.00 0.00 C ATOM 854 O TRP A 56 -4.780 -11.861 0.531 1.00 0.00 O ATOM 855 CB TRP A 56 -5.340 -9.464 -1.146 1.00 0.00 C ATOM 856 CG TRP A 56 -5.029 -8.325 -2.066 1.00 0.00 C ATOM 857 CD1 TRP A 56 -5.582 -7.077 -2.045 1.00 0.00 C ATOM 858 CD2 TRP A 56 -4.070 -8.323 -3.128 1.00 0.00 C ATOM 859 NE1 TRP A 56 -5.036 -6.304 -3.036 1.00 0.00 N ATOM 860 CE2 TRP A 56 -4.104 -7.046 -3.716 1.00 0.00 C ATOM 861 CE3 TRP A 56 -3.186 -9.279 -3.640 1.00 0.00 C ATOM 862 CZ2 TRP A 56 -3.290 -6.700 -4.791 1.00 0.00 C ATOM 863 CZ3 TRP A 56 -2.379 -8.934 -4.705 1.00 0.00 C ATOM 864 CH2 TRP A 56 -2.435 -7.654 -5.271 1.00 0.00 C ATOM 0 H TRP A 56 -2.892 -10.763 -0.971 1.00 0.00 H new ATOM 0 HA TRP A 56 -4.347 -8.625 0.524 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -5.353 -10.395 -1.713 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -6.338 -9.331 -0.728 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -6.339 -6.747 -1.349 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.283 -5.335 -3.236 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -3.136 -10.268 -3.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -3.332 -5.714 -5.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -1.693 -9.663 -5.109 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -1.790 -7.415 -6.104 1.00 0.00 H new ATOM 875 N ASN A 57 -4.765 -10.385 2.247 1.00 0.00 N ATOM 876 CA ASN A 57 -5.009 -11.409 3.274 1.00 0.00 C ATOM 877 C ASN A 57 -6.440 -11.392 3.822 1.00 0.00 C ATOM 878 O ASN A 57 -7.237 -12.271 3.488 1.00 0.00 O ATOM 879 CB ASN A 57 -3.988 -11.240 4.407 1.00 0.00 C ATOM 880 CG ASN A 57 -2.553 -11.304 3.912 1.00 0.00 C ATOM 881 OD1 ASN A 57 -1.969 -12.383 3.808 1.00 0.00 O ATOM 882 ND2 ASN A 57 -1.974 -10.143 3.604 1.00 0.00 N ATOM 0 H ASN A 57 -4.677 -9.435 2.609 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.887 -12.383 2.800 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.155 -10.284 4.903 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.146 -12.018 5.153 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.011 -10.127 3.268 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.494 -9.271 3.705 1.00 0.00 H new ATOM 889 N ASP A 58 -6.760 -10.412 4.677 1.00 0.00 N ATOM 890 CA ASP A 58 -8.095 -10.313 5.284 1.00 0.00 C ATOM 891 C ASP A 58 -9.182 -10.130 4.219 1.00 0.00 C ATOM 892 O ASP A 58 -8.887 -10.101 3.023 1.00 0.00 O ATOM 893 CB ASP A 58 -8.132 -9.157 6.300 1.00 0.00 C ATOM 894 CG ASP A 58 -8.982 -9.471 7.517 1.00 0.00 C ATOM 895 OD1 ASP A 58 -8.616 -10.394 8.275 1.00 0.00 O ATOM 896 OD2 ASP A 58 -10.013 -8.795 7.712 1.00 0.00 O ATOM 0 H ASP A 58 -6.114 -9.677 4.964 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.299 -11.248 5.806 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.116 -8.929 6.621 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.520 -8.263 5.812 1.00 0.00 H new ATOM 901 N ASP A 59 -10.443 -10.008 4.664 1.00 0.00 N ATOM 902 CA ASP A 59 -11.587 -9.828 3.752 1.00 0.00 C ATOM 903 C ASP A 59 -11.378 -8.632 2.819 1.00 0.00 C ATOM 904 O ASP A 59 -11.776 -8.668 1.652 1.00 0.00 O ATOM 905 CB ASP A 59 -12.877 -9.641 4.553 1.00 0.00 C ATOM 906 CG ASP A 59 -13.451 -10.958 5.039 1.00 0.00 C ATOM 907 OD1 ASP A 59 -13.938 -11.740 4.196 1.00 0.00 O ATOM 908 OD2 ASP A 59 -13.412 -11.207 6.263 1.00 0.00 O ATOM 0 H ASP A 59 -10.698 -10.031 5.651 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.667 -10.726 3.139 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.680 -8.996 5.409 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.616 -9.132 3.934 1.00 0.00 H new ATOM 913 N ASP A 60 -10.742 -7.583 3.345 1.00 0.00 N ATOM 914 CA ASP A 60 -10.463 -6.379 2.567 1.00 0.00 C ATOM 915 C ASP A 60 -9.196 -5.658 3.058 1.00 0.00 C ATOM 916 O ASP A 60 -9.034 -4.457 2.833 1.00 0.00 O ATOM 917 CB ASP A 60 -11.671 -5.447 2.611 1.00 0.00 C ATOM 918 CG ASP A 60 -12.829 -5.981 1.795 1.00 0.00 C ATOM 919 OD1 ASP A 60 -12.614 -6.331 0.615 1.00 0.00 O ATOM 920 OD2 ASP A 60 -13.954 -6.051 2.335 1.00 0.00 O ATOM 0 H ASP A 60 -10.411 -7.545 4.309 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.277 -6.678 1.535 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.988 -5.313 3.645 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.385 -4.465 2.235 1.00 0.00 H new ATOM 925 N SER A 61 -8.285 -6.408 3.704 1.00 0.00 N ATOM 926 CA SER A 61 -7.018 -5.860 4.197 1.00 0.00 C ATOM 927 C SER A 61 -5.872 -6.425 3.366 1.00 0.00 C ATOM 928 O SER A 61 -5.862 -7.623 3.042 1.00 0.00 O ATOM 929 CB SER A 61 -6.824 -6.199 5.673 1.00 0.00 C ATOM 930 OG SER A 61 -5.833 -5.374 6.259 1.00 0.00 O ATOM 0 H SER A 61 -8.409 -7.402 3.896 1.00 0.00 H new ATOM 0 HA SER A 61 -7.034 -4.774 4.101 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.767 -6.074 6.205 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.537 -7.246 5.774 1.00 0.00 H new ATOM 0 HG SER A 61 -5.729 -5.609 7.205 1.00 0.00 H new ATOM 936 N SER A 62 -4.925 -5.561 2.983 1.00 0.00 N ATOM 937 CA SER A 62 -3.805 -5.984 2.140 1.00 0.00 C ATOM 938 C SER A 62 -2.461 -5.563 2.739 1.00 0.00 C ATOM 939 O SER A 62 -2.402 -5.134 3.892 1.00 0.00 O ATOM 940 CB SER A 62 -4.004 -5.400 0.737 1.00 0.00 C ATOM 941 OG SER A 62 -5.348 -5.558 0.320 1.00 0.00 O ATOM 0 H SER A 62 -4.912 -4.574 3.241 1.00 0.00 H new ATOM 0 HA SER A 62 -3.786 -7.072 2.080 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.739 -4.343 0.736 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.338 -5.897 0.032 1.00 0.00 H new ATOM 0 HG SER A 62 -5.371 -5.775 -0.635 1.00 0.00 H new ATOM 947 N THR A 63 -1.388 -5.701 1.953 1.00 0.00 N ATOM 948 CA THR A 63 -0.051 -5.348 2.405 1.00 0.00 C ATOM 949 C THR A 63 0.884 -5.111 1.218 1.00 0.00 C ATOM 950 O THR A 63 0.780 -5.778 0.186 1.00 0.00 O ATOM 951 CB THR A 63 0.520 -6.442 3.312 1.00 0.00 C ATOM 952 OG1 THR A 63 -0.460 -6.900 4.227 1.00 0.00 O ATOM 953 CG2 THR A 63 1.720 -5.986 4.116 1.00 0.00 C ATOM 0 H THR A 63 -1.427 -6.057 0.998 1.00 0.00 H new ATOM 0 HA THR A 63 -0.126 -4.422 2.976 1.00 0.00 H new ATOM 0 HB THR A 63 0.834 -7.240 2.639 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.063 -6.162 4.457 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.076 -6.808 4.737 1.00 0.00 H new ATOM 0 HG22 THR A 63 2.514 -5.673 3.438 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.435 -5.148 4.752 1.00 0.00 H new ATOM 961 N LEU A 64 1.797 -4.155 1.388 1.00 0.00 N ATOM 962 CA LEU A 64 2.771 -3.792 0.374 1.00 0.00 C ATOM 963 C LEU A 64 4.165 -4.150 0.864 1.00 0.00 C ATOM 964 O LEU A 64 4.794 -3.358 1.567 1.00 0.00 O ATOM 965 CB LEU A 64 2.688 -2.276 0.103 1.00 0.00 C ATOM 966 CG LEU A 64 3.294 -1.718 -1.218 1.00 0.00 C ATOM 967 CD1 LEU A 64 4.287 -0.588 -0.929 1.00 0.00 C ATOM 968 CD2 LEU A 64 3.950 -2.799 -2.082 1.00 0.00 C ATOM 0 H LEU A 64 1.877 -3.608 2.245 1.00 0.00 H new ATOM 0 HA LEU A 64 2.561 -4.335 -0.548 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.636 -1.993 0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.177 -1.765 0.932 1.00 0.00 H new ATOM 0 HG LEU A 64 2.458 -1.321 -1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.697 -0.215 -1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.775 0.222 -0.409 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.097 -0.966 -0.305 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.353 -2.346 -2.988 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.757 -3.272 -1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.207 -3.550 -2.351 1.00 0.00 H new ATOM 980 N THR A 65 4.632 -5.348 0.502 1.00 0.00 N ATOM 981 CA THR A 65 5.955 -5.818 0.919 1.00 0.00 C ATOM 982 C THR A 65 7.023 -5.328 -0.057 1.00 0.00 C ATOM 983 O THR A 65 6.780 -5.238 -1.258 1.00 0.00 O ATOM 984 CB THR A 65 5.993 -7.366 1.056 1.00 0.00 C ATOM 985 OG1 THR A 65 4.715 -7.939 0.832 1.00 0.00 O ATOM 986 CG2 THR A 65 6.456 -7.834 2.423 1.00 0.00 C ATOM 0 H THR A 65 4.114 -6.009 -0.078 1.00 0.00 H new ATOM 0 HA THR A 65 6.167 -5.401 1.903 1.00 0.00 H new ATOM 0 HB THR A 65 6.708 -7.693 0.301 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.603 -8.126 -0.124 1.00 0.00 H new ATOM 0 HG21 THR A 65 6.460 -8.924 2.452 1.00 0.00 H new ATOM 0 HG22 THR A 65 7.463 -7.462 2.613 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.778 -7.453 3.187 1.00 0.00 H new ATOM 994 N ILE A 66 8.201 -5.009 0.476 1.00 0.00 N ATOM 995 CA ILE A 66 9.323 -4.524 -0.324 1.00 0.00 C ATOM 996 C ILE A 66 10.617 -5.104 0.238 1.00 0.00 C ATOM 997 O ILE A 66 11.201 -4.542 1.163 1.00 0.00 O ATOM 998 CB ILE A 66 9.386 -2.971 -0.323 1.00 0.00 C ATOM 999 CG1 ILE A 66 8.046 -2.386 -0.807 1.00 0.00 C ATOM 1000 CG2 ILE A 66 10.564 -2.448 -1.169 1.00 0.00 C ATOM 1001 CD1 ILE A 66 7.974 -0.871 -0.767 1.00 0.00 C ATOM 0 H ILE A 66 8.404 -5.079 1.473 1.00 0.00 H new ATOM 0 HA ILE A 66 9.187 -4.847 -1.356 1.00 0.00 H new ATOM 0 HB ILE A 66 9.560 -2.639 0.701 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.866 -2.720 -1.829 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.243 -2.792 -0.192 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.575 -1.358 -1.144 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.501 -2.829 -0.763 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.450 -2.786 -2.199 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.998 -0.544 -1.124 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.120 -0.527 0.257 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.753 -0.453 -1.405 1.00 0.00 H new ATOM 1013 N TYR A 67 11.041 -6.242 -0.315 1.00 0.00 N ATOM 1014 CA TYR A 67 12.258 -6.929 0.148 1.00 0.00 C ATOM 1015 C TYR A 67 13.513 -6.019 0.006 1.00 0.00 C ATOM 1016 O TYR A 67 13.642 -5.053 0.755 1.00 0.00 O ATOM 1017 CB TYR A 67 12.388 -8.301 -0.569 1.00 0.00 C ATOM 1018 CG TYR A 67 11.089 -9.099 -0.627 1.00 0.00 C ATOM 1019 CD1 TYR A 67 10.265 -9.223 0.489 1.00 0.00 C ATOM 1020 CD2 TYR A 67 10.683 -9.708 -1.809 1.00 0.00 C ATOM 1021 CE1 TYR A 67 9.079 -9.933 0.425 1.00 0.00 C ATOM 1022 CE2 TYR A 67 9.500 -10.420 -1.878 1.00 0.00 C ATOM 1023 CZ TYR A 67 8.704 -10.529 -0.760 1.00 0.00 C ATOM 1024 OH TYR A 67 7.525 -11.236 -0.827 1.00 0.00 O ATOM 0 H TYR A 67 10.563 -6.711 -1.084 1.00 0.00 H new ATOM 0 HA TYR A 67 12.180 -7.136 1.215 1.00 0.00 H new ATOM 0 HB2 TYR A 67 12.746 -8.135 -1.585 1.00 0.00 H new ATOM 0 HB3 TYR A 67 13.145 -8.896 -0.058 1.00 0.00 H new ATOM 0 HD1 TYR A 67 10.556 -8.758 1.419 1.00 0.00 H new ATOM 0 HD2 TYR A 67 11.303 -9.623 -2.689 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.450 -10.020 1.299 1.00 0.00 H new ATOM 0 HE2 TYR A 67 9.202 -10.888 -2.804 1.00 0.00 H new ATOM 0 HH TYR A 67 7.408 -11.592 -1.733 1.00 0.00 H new ATOM 1034 N ASN A 68 14.427 -6.296 -0.940 1.00 0.00 N ATOM 1035 CA ASN A 68 15.629 -5.463 -1.135 1.00 0.00 C ATOM 1036 C ASN A 68 15.233 -3.992 -1.398 1.00 0.00 C ATOM 1037 O ASN A 68 14.927 -3.615 -2.529 1.00 0.00 O ATOM 1038 CB ASN A 68 16.487 -6.043 -2.288 1.00 0.00 C ATOM 1039 CG ASN A 68 17.640 -5.145 -2.741 1.00 0.00 C ATOM 1040 OD1 ASN A 68 17.926 -5.049 -3.935 1.00 0.00 O ATOM 1041 ND2 ASN A 68 18.305 -4.488 -1.795 1.00 0.00 N ATOM 0 H ASN A 68 14.358 -7.087 -1.580 1.00 0.00 H new ATOM 0 HA ASN A 68 16.230 -5.478 -0.226 1.00 0.00 H new ATOM 0 HB2 ASN A 68 16.895 -7.003 -1.972 1.00 0.00 H new ATOM 0 HB3 ASN A 68 15.839 -6.238 -3.142 1.00 0.00 H new ATOM 0 HD21 ASN A 68 19.083 -3.878 -2.048 1.00 0.00 H new ATOM 0 HD22 ASN A 68 18.037 -4.594 -0.816 1.00 0.00 H new ATOM 1048 N ALA A 69 15.225 -3.184 -0.329 1.00 0.00 N ATOM 1049 CA ALA A 69 14.847 -1.769 -0.420 1.00 0.00 C ATOM 1050 C ALA A 69 15.938 -0.922 -1.074 1.00 0.00 C ATOM 1051 O ALA A 69 17.121 -1.251 -0.988 1.00 0.00 O ATOM 1052 CB ALA A 69 14.515 -1.223 0.965 1.00 0.00 C ATOM 0 H ALA A 69 15.477 -3.489 0.611 1.00 0.00 H new ATOM 0 HA ALA A 69 13.963 -1.708 -1.055 1.00 0.00 H new ATOM 0 HB1 ALA A 69 14.236 -0.172 0.885 1.00 0.00 H new ATOM 0 HB2 ALA A 69 13.685 -1.788 1.389 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.387 -1.318 1.612 1.00 0.00 H new ATOM 1058 N ASN A 70 15.526 0.176 -1.724 1.00 0.00 N ATOM 1059 CA ASN A 70 16.461 1.082 -2.394 1.00 0.00 C ATOM 1060 C ASN A 70 15.985 2.537 -2.307 1.00 0.00 C ATOM 1061 O ASN A 70 14.786 2.811 -2.184 1.00 0.00 O ATOM 1062 CB ASN A 70 16.630 0.678 -3.861 1.00 0.00 C ATOM 1063 CG ASN A 70 17.064 -0.771 -4.021 1.00 0.00 C ATOM 1064 OD1 ASN A 70 16.099 -1.690 -4.033 1.00 0.00 O flip ATOM 1065 ND2 ASN A 70 18.254 -1.063 -4.134 1.00 0.00 N flip ATOM 0 H ASN A 70 14.548 0.456 -1.798 1.00 0.00 H new ATOM 0 HA ASN A 70 17.422 1.006 -1.885 1.00 0.00 H new ATOM 0 HB2 ASN A 70 15.688 0.832 -4.387 1.00 0.00 H new ATOM 0 HB3 ASN A 70 17.368 1.329 -4.331 1.00 0.00 H new ATOM 0 HD21 ASN A 70 18.963 -0.330 -4.120 1.00 0.00 H new ATOM 0 HD22 ASN A 70 18.532 -2.039 -4.242 1.00 0.00 H new ATOM 1072 N ILE A 71 16.932 3.481 -2.385 1.00 0.00 N ATOM 1073 CA ILE A 71 16.607 4.915 -2.324 1.00 0.00 C ATOM 1074 C ILE A 71 15.549 5.320 -3.366 1.00 0.00 C ATOM 1075 O ILE A 71 14.828 6.303 -3.170 1.00 0.00 O ATOM 1076 CB ILE A 71 17.865 5.792 -2.500 1.00 0.00 C ATOM 1077 CG1 ILE A 71 18.609 5.420 -3.789 1.00 0.00 C ATOM 1078 CG2 ILE A 71 18.779 5.649 -1.289 1.00 0.00 C ATOM 1079 CD1 ILE A 71 19.747 6.359 -4.127 1.00 0.00 C ATOM 0 H ILE A 71 17.927 3.280 -2.490 1.00 0.00 H new ATOM 0 HA ILE A 71 16.191 5.086 -1.331 1.00 0.00 H new ATOM 0 HB ILE A 71 17.554 6.834 -2.579 1.00 0.00 H new ATOM 0 HG12 ILE A 71 19.001 4.408 -3.692 1.00 0.00 H new ATOM 0 HG13 ILE A 71 17.900 5.409 -4.617 1.00 0.00 H new ATOM 0 HG21 ILE A 71 19.663 6.272 -1.425 1.00 0.00 H new ATOM 0 HG22 ILE A 71 18.246 5.965 -0.392 1.00 0.00 H new ATOM 0 HG23 ILE A 71 19.082 4.607 -1.183 1.00 0.00 H new ATOM 0 HD11 ILE A 71 20.226 6.033 -5.050 1.00 0.00 H new ATOM 0 HD12 ILE A 71 19.359 7.369 -4.257 1.00 0.00 H new ATOM 0 HD13 ILE A 71 20.477 6.352 -3.318 1.00 0.00 H new ATOM 1091 N ASP A 72 15.445 4.546 -4.456 1.00 0.00 N ATOM 1092 CA ASP A 72 14.459 4.812 -5.501 1.00 0.00 C ATOM 1093 C ASP A 72 13.060 4.451 -5.004 1.00 0.00 C ATOM 1094 O ASP A 72 12.100 5.186 -5.243 1.00 0.00 O ATOM 1095 CB ASP A 72 14.788 4.018 -6.769 1.00 0.00 C ATOM 1096 CG ASP A 72 16.070 4.488 -7.425 1.00 0.00 C ATOM 1097 OD1 ASP A 72 16.165 5.691 -7.747 1.00 0.00 O ATOM 1098 OD2 ASP A 72 16.980 3.654 -7.615 1.00 0.00 O ATOM 0 H ASP A 72 16.034 3.732 -4.632 1.00 0.00 H new ATOM 0 HA ASP A 72 14.489 5.875 -5.742 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.876 2.960 -6.520 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.965 4.111 -7.477 1.00 0.00 H new ATOM 1103 N ASP A 73 12.957 3.318 -4.291 1.00 0.00 N ATOM 1104 CA ASP A 73 11.685 2.857 -3.736 1.00 0.00 C ATOM 1105 C ASP A 73 11.170 3.834 -2.678 1.00 0.00 C ATOM 1106 O ASP A 73 9.960 4.036 -2.554 1.00 0.00 O ATOM 1107 CB ASP A 73 11.838 1.456 -3.128 1.00 0.00 C ATOM 1108 CG ASP A 73 12.048 0.376 -4.176 1.00 0.00 C ATOM 1109 OD1 ASP A 73 12.601 0.686 -5.254 1.00 0.00 O ATOM 1110 OD2 ASP A 73 11.666 -0.784 -3.916 1.00 0.00 O ATOM 0 H ASP A 73 13.747 2.705 -4.087 1.00 0.00 H new ATOM 0 HA ASP A 73 10.960 2.810 -4.548 1.00 0.00 H new ATOM 0 HB2 ASP A 73 12.682 1.455 -2.438 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.949 1.220 -2.544 1.00 0.00 H new ATOM 1115 N ALA A 74 12.097 4.455 -1.922 1.00 0.00 N ATOM 1116 CA ALA A 74 11.729 5.431 -0.878 1.00 0.00 C ATOM 1117 C ALA A 74 10.792 6.527 -1.402 1.00 0.00 C ATOM 1118 O ALA A 74 11.232 7.447 -2.098 1.00 0.00 O ATOM 1119 CB ALA A 74 12.974 6.075 -0.284 1.00 0.00 C ATOM 0 H ALA A 74 13.101 4.299 -2.014 1.00 0.00 H new ATOM 0 HA ALA A 74 11.195 4.874 -0.108 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.682 6.791 0.484 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.606 5.305 0.159 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.527 6.590 -1.069 1.00 0.00 H new ATOM 1125 N GLY A 75 9.510 6.418 -1.050 1.00 0.00 N ATOM 1126 CA GLY A 75 8.525 7.398 -1.470 1.00 0.00 C ATOM 1127 C GLY A 75 7.188 7.176 -0.796 1.00 0.00 C ATOM 1128 O GLY A 75 6.996 6.158 -0.123 1.00 0.00 O ATOM 0 H GLY A 75 9.137 5.661 -0.477 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.887 8.400 -1.238 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.400 7.347 -2.552 1.00 0.00 H new ATOM 1132 N ILE A 76 6.261 8.120 -0.972 1.00 0.00 N ATOM 1133 CA ILE A 76 4.937 8.006 -0.370 1.00 0.00 C ATOM 1134 C ILE A 76 4.059 7.067 -1.197 1.00 0.00 C ATOM 1135 O ILE A 76 3.434 7.493 -2.171 1.00 0.00 O ATOM 1136 CB ILE A 76 4.243 9.390 -0.214 1.00 0.00 C ATOM 1137 CG1 ILE A 76 5.172 10.363 0.537 1.00 0.00 C ATOM 1138 CG2 ILE A 76 2.899 9.246 0.513 1.00 0.00 C ATOM 1139 CD1 ILE A 76 4.590 11.744 0.771 1.00 0.00 C ATOM 0 H ILE A 76 6.404 8.966 -1.524 1.00 0.00 H new ATOM 0 HA ILE A 76 5.069 7.592 0.630 1.00 0.00 H new ATOM 0 HB ILE A 76 4.043 9.795 -1.206 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.431 9.925 1.501 1.00 0.00 H new ATOM 0 HG13 ILE A 76 6.100 10.465 -0.026 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.432 10.226 0.611 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.245 8.587 -0.058 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.065 8.822 1.504 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.314 12.358 1.306 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.358 12.208 -0.187 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.679 11.659 1.363 1.00 0.00 H new ATOM 1151 N TYR A 77 4.000 5.791 -0.787 1.00 0.00 N ATOM 1152 CA TYR A 77 3.172 4.802 -1.481 1.00 0.00 C ATOM 1153 C TYR A 77 1.696 5.115 -1.235 1.00 0.00 C ATOM 1154 O TYR A 77 1.374 5.984 -0.418 1.00 0.00 O ATOM 1155 CB TYR A 77 3.500 3.378 -1.006 1.00 0.00 C ATOM 1156 CG TYR A 77 4.864 2.866 -1.433 1.00 0.00 C ATOM 1157 CD1 TYR A 77 5.999 3.276 -0.754 1.00 0.00 C ATOM 1158 CD2 TYR A 77 5.017 1.956 -2.484 1.00 0.00 C ATOM 1159 CE1 TYR A 77 7.253 2.807 -1.099 1.00 0.00 C ATOM 1160 CE2 TYR A 77 6.271 1.478 -2.832 1.00 0.00 C ATOM 1161 CZ TYR A 77 7.384 1.907 -2.136 1.00 0.00 C ATOM 1162 OH TYR A 77 8.630 1.433 -2.479 1.00 0.00 O ATOM 0 H TYR A 77 4.512 5.425 0.015 1.00 0.00 H new ATOM 0 HA TYR A 77 3.383 4.855 -2.549 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.440 3.350 0.082 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.737 2.698 -1.385 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.903 3.977 0.062 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.148 1.622 -3.031 1.00 0.00 H new ATOM 0 HE1 TYR A 77 8.126 3.144 -0.559 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.377 0.773 -3.644 1.00 0.00 H new ATOM 0 HH TYR A 77 9.217 2.186 -2.699 1.00 0.00 H new ATOM 1172 N LYS A 78 0.800 4.418 -1.937 1.00 0.00 N ATOM 1173 CA LYS A 78 -0.640 4.644 -1.786 1.00 0.00 C ATOM 1174 C LYS A 78 -1.393 3.325 -1.653 1.00 0.00 C ATOM 1175 O LYS A 78 -0.952 2.298 -2.157 1.00 0.00 O ATOM 1176 CB LYS A 78 -1.186 5.432 -2.990 1.00 0.00 C ATOM 1177 CG LYS A 78 -2.034 6.639 -2.613 1.00 0.00 C ATOM 1178 CD LYS A 78 -2.383 7.484 -3.832 1.00 0.00 C ATOM 1179 CE LYS A 78 -1.146 8.120 -4.458 1.00 0.00 C ATOM 1180 NZ LYS A 78 -1.459 9.421 -5.110 1.00 0.00 N ATOM 0 H LYS A 78 1.044 3.695 -2.613 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.793 5.223 -0.875 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.348 5.767 -3.601 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.783 4.762 -3.608 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.951 6.303 -2.128 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.496 7.250 -1.888 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.885 6.862 -4.573 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.086 8.265 -3.543 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.388 8.272 -3.690 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.721 7.438 -5.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.592 9.820 -5.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.163 9.273 -5.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.841 10.081 -4.403 1.00 0.00 H new ATOM 1194 N CYS A 79 -2.556 3.385 -1.011 1.00 0.00 N ATOM 1195 CA CYS A 79 -3.419 2.220 -0.838 1.00 0.00 C ATOM 1196 C CYS A 79 -4.864 2.678 -1.077 1.00 0.00 C ATOM 1197 O CYS A 79 -5.497 3.295 -0.217 1.00 0.00 O ATOM 1198 CB CYS A 79 -3.119 1.530 0.537 1.00 0.00 C ATOM 1199 SG CYS A 79 -4.416 1.494 1.834 1.00 0.00 S ATOM 0 H CYS A 79 -2.926 4.240 -0.597 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.227 1.430 -1.564 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.837 0.498 0.329 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.244 2.020 0.964 1.00 0.00 H new ATOM 1204 N VAL A 80 -5.342 2.440 -2.308 1.00 0.00 N ATOM 1205 CA VAL A 80 -6.677 2.875 -2.720 1.00 0.00 C ATOM 1206 C VAL A 80 -7.680 1.733 -2.686 1.00 0.00 C ATOM 1207 O VAL A 80 -7.374 0.607 -3.074 1.00 0.00 O ATOM 1208 CB VAL A 80 -6.675 3.503 -4.142 1.00 0.00 C ATOM 1209 CG1 VAL A 80 -8.007 4.191 -4.436 1.00 0.00 C ATOM 1210 CG2 VAL A 80 -5.531 4.496 -4.307 1.00 0.00 C ATOM 0 H VAL A 80 -4.820 1.948 -3.033 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.977 3.636 -1.999 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.533 2.692 -4.856 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.981 4.622 -5.437 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.814 3.461 -4.377 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.178 4.981 -3.705 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.557 4.918 -5.312 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.636 5.297 -3.575 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.581 3.985 -4.153 1.00 0.00 H new ATOM 1220 N VAL A 81 -8.894 2.055 -2.243 1.00 0.00 N ATOM 1221 CA VAL A 81 -9.984 1.099 -2.170 1.00 0.00 C ATOM 1222 C VAL A 81 -11.167 1.687 -2.936 1.00 0.00 C ATOM 1223 O VAL A 81 -11.353 2.900 -2.928 1.00 0.00 O ATOM 1224 CB VAL A 81 -10.325 0.776 -0.672 1.00 0.00 C ATOM 1225 CG1 VAL A 81 -11.813 0.507 -0.415 1.00 0.00 C ATOM 1226 CG2 VAL A 81 -9.482 -0.397 -0.179 1.00 0.00 C ATOM 0 H VAL A 81 -9.145 2.991 -1.925 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.710 0.148 -2.627 1.00 0.00 H new ATOM 0 HB VAL A 81 -10.081 1.676 -0.107 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.967 0.292 0.642 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -12.395 1.385 -0.695 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -12.136 -0.347 -1.010 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.728 -0.610 0.861 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -9.690 -1.276 -0.789 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.425 -0.143 -0.257 1.00 0.00 H new ATOM 1236 N THR A 82 -11.946 0.834 -3.610 1.00 0.00 N ATOM 1237 CA THR A 82 -13.092 1.312 -4.399 1.00 0.00 C ATOM 1238 C THR A 82 -14.403 0.649 -3.994 1.00 0.00 C ATOM 1239 O THR A 82 -14.413 -0.458 -3.455 1.00 0.00 O ATOM 1240 CB THR A 82 -12.840 1.085 -5.891 1.00 0.00 C ATOM 1241 OG1 THR A 82 -11.465 1.241 -6.201 1.00 0.00 O ATOM 1242 CG2 THR A 82 -13.619 2.034 -6.778 1.00 0.00 C ATOM 0 H THR A 82 -11.809 -0.177 -3.627 1.00 0.00 H new ATOM 0 HA THR A 82 -13.190 2.378 -4.196 1.00 0.00 H new ATOM 0 HB THR A 82 -13.174 0.066 -6.088 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.327 1.090 -7.159 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.396 1.821 -7.823 1.00 0.00 H new ATOM 0 HG22 THR A 82 -14.687 1.904 -6.601 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.336 3.061 -6.549 1.00 0.00 H new ATOM 1250 N ALA A 83 -15.514 1.344 -4.275 1.00 0.00 N ATOM 1251 CA ALA A 83 -16.849 0.839 -3.965 1.00 0.00 C ATOM 1252 C ALA A 83 -17.469 0.189 -5.201 1.00 0.00 C ATOM 1253 O ALA A 83 -16.816 0.087 -6.242 1.00 0.00 O ATOM 1254 CB ALA A 83 -17.734 1.969 -3.454 1.00 0.00 C ATOM 0 H ALA A 83 -15.509 2.262 -4.719 1.00 0.00 H new ATOM 0 HA ALA A 83 -16.766 0.084 -3.183 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -18.726 1.580 -3.227 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -17.296 2.395 -2.551 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -17.814 2.742 -4.218 1.00 0.00 H new ATOM 1260 N GLU A 84 -18.728 -0.246 -5.085 1.00 0.00 N ATOM 1261 CA GLU A 84 -19.431 -0.879 -6.200 1.00 0.00 C ATOM 1262 C GLU A 84 -19.907 0.166 -7.208 1.00 0.00 C ATOM 1263 O GLU A 84 -19.871 -0.070 -8.417 1.00 0.00 O ATOM 1264 CB GLU A 84 -20.623 -1.691 -5.689 1.00 0.00 C ATOM 1265 CG GLU A 84 -21.111 -2.736 -6.679 1.00 0.00 C ATOM 1266 CD GLU A 84 -22.564 -3.112 -6.464 1.00 0.00 C ATOM 1267 OE1 GLU A 84 -22.869 -3.727 -5.422 1.00 0.00 O ATOM 1268 OE2 GLU A 84 -23.396 -2.792 -7.339 1.00 0.00 O ATOM 0 H GLU A 84 -19.279 -0.170 -4.230 1.00 0.00 H new ATOM 0 HA GLU A 84 -18.733 -1.550 -6.700 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -20.344 -2.185 -4.758 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -21.443 -1.011 -5.456 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -20.984 -2.357 -7.693 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -20.492 -3.629 -6.593 1.00 0.00 H new ATOM 1275 N ASP A 85 -20.354 1.319 -6.699 1.00 0.00 N ATOM 1276 CA ASP A 85 -20.839 2.404 -7.551 1.00 0.00 C ATOM 1277 C ASP A 85 -19.679 3.207 -8.140 1.00 0.00 C ATOM 1278 O ASP A 85 -19.758 3.666 -9.282 1.00 0.00 O ATOM 1279 CB ASP A 85 -21.772 3.334 -6.766 1.00 0.00 C ATOM 1280 CG ASP A 85 -21.137 3.882 -5.499 1.00 0.00 C ATOM 1281 OD1 ASP A 85 -21.164 3.179 -4.466 1.00 0.00 O ATOM 1282 OD2 ASP A 85 -20.614 5.016 -5.540 1.00 0.00 O ATOM 0 H ASP A 85 -20.389 1.523 -5.700 1.00 0.00 H new ATOM 0 HA ASP A 85 -21.397 1.953 -8.372 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -22.069 4.165 -7.405 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -22.681 2.792 -6.505 1.00 0.00 H new ATOM 1287 N GLY A 86 -18.608 3.374 -7.353 1.00 0.00 N ATOM 1288 CA GLY A 86 -17.443 4.124 -7.810 1.00 0.00 C ATOM 1289 C GLY A 86 -16.712 4.857 -6.690 1.00 0.00 C ATOM 1290 O GLY A 86 -15.545 5.220 -6.852 1.00 0.00 O ATOM 0 H GLY A 86 -18.529 3.002 -6.407 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -16.749 3.440 -8.299 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -17.759 4.848 -8.561 1.00 0.00 H new ATOM 1294 N THR A 87 -17.391 5.078 -5.552 1.00 0.00 N ATOM 1295 CA THR A 87 -16.791 5.774 -4.405 1.00 0.00 C ATOM 1296 C THR A 87 -15.551 5.031 -3.887 1.00 0.00 C ATOM 1297 O THR A 87 -15.666 3.930 -3.349 1.00 0.00 O ATOM 1298 CB THR A 87 -17.825 5.923 -3.277 1.00 0.00 C ATOM 1299 OG1 THR A 87 -18.966 6.625 -3.732 1.00 0.00 O ATOM 1300 CG2 THR A 87 -17.301 6.651 -2.055 1.00 0.00 C ATOM 0 H THR A 87 -18.356 4.784 -5.403 1.00 0.00 H new ATOM 0 HA THR A 87 -16.477 6.763 -4.739 1.00 0.00 H new ATOM 0 HB THR A 87 -18.071 4.901 -2.988 1.00 0.00 H new ATOM 0 HG1 THR A 87 -19.485 6.051 -4.333 1.00 0.00 H new ATOM 0 HG21 THR A 87 -18.089 6.716 -1.304 1.00 0.00 H new ATOM 0 HG22 THR A 87 -16.451 6.106 -1.643 1.00 0.00 H new ATOM 0 HG23 THR A 87 -16.985 7.655 -2.337 1.00 0.00 H new ATOM 1308 N GLN A 88 -14.376 5.650 -4.045 1.00 0.00 N ATOM 1309 CA GLN A 88 -13.113 5.055 -3.589 1.00 0.00 C ATOM 1310 C GLN A 88 -12.433 5.926 -2.531 1.00 0.00 C ATOM 1311 O GLN A 88 -12.303 7.139 -2.704 1.00 0.00 O ATOM 1312 CB GLN A 88 -12.143 4.830 -4.764 1.00 0.00 C ATOM 1313 CG GLN A 88 -12.106 5.951 -5.789 1.00 0.00 C ATOM 1314 CD GLN A 88 -10.821 5.959 -6.600 1.00 0.00 C ATOM 1315 OE1 GLN A 88 -10.163 6.991 -6.725 1.00 0.00 O ATOM 1316 NE2 GLN A 88 -10.452 4.806 -7.157 1.00 0.00 N ATOM 0 H GLN A 88 -14.272 6.564 -4.486 1.00 0.00 H new ATOM 0 HA GLN A 88 -13.362 4.091 -3.145 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -11.139 4.690 -4.365 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -12.417 3.904 -5.270 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -12.956 5.850 -6.463 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -12.216 6.908 -5.279 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -11.025 3.972 -7.030 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.596 4.758 -7.710 1.00 0.00 H new ATOM 1325 N SER A 89 -11.969 5.285 -1.450 1.00 0.00 N ATOM 1326 CA SER A 89 -11.259 5.977 -0.368 1.00 0.00 C ATOM 1327 C SER A 89 -9.826 5.466 -0.338 1.00 0.00 C ATOM 1328 O SER A 89 -9.615 4.257 -0.289 1.00 0.00 O ATOM 1329 CB SER A 89 -11.947 5.729 0.977 1.00 0.00 C ATOM 1330 OG SER A 89 -11.657 6.766 1.898 1.00 0.00 O ATOM 0 H SER A 89 -12.074 4.281 -1.302 1.00 0.00 H new ATOM 0 HA SER A 89 -11.268 7.052 -0.547 1.00 0.00 H new ATOM 0 HB2 SER A 89 -13.025 5.660 0.830 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.619 4.773 1.386 1.00 0.00 H new ATOM 0 HG SER A 89 -12.110 6.585 2.748 1.00 0.00 H new ATOM 1336 N GLU A 90 -8.842 6.372 -0.423 1.00 0.00 N ATOM 1337 CA GLU A 90 -7.430 5.966 -0.465 1.00 0.00 C ATOM 1338 C GLU A 90 -6.644 6.287 0.812 1.00 0.00 C ATOM 1339 O GLU A 90 -7.177 6.840 1.775 1.00 0.00 O ATOM 1340 CB GLU A 90 -6.750 6.608 -1.684 1.00 0.00 C ATOM 1341 CG GLU A 90 -6.601 8.121 -1.593 1.00 0.00 C ATOM 1342 CD GLU A 90 -6.482 8.783 -2.952 1.00 0.00 C ATOM 1343 OE1 GLU A 90 -5.446 8.585 -3.621 1.00 0.00 O ATOM 1344 OE2 GLU A 90 -7.425 9.500 -3.349 1.00 0.00 O ATOM 0 H GLU A 90 -8.995 7.380 -0.464 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.423 4.879 -0.547 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.762 6.164 -1.810 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.326 6.364 -2.577 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.461 8.535 -1.066 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.719 8.359 -0.999 1.00 0.00 H new ATOM 1351 N ALA A 91 -5.353 5.923 0.783 1.00 0.00 N ATOM 1352 CA ALA A 91 -4.439 6.143 1.896 1.00 0.00 C ATOM 1353 C ALA A 91 -3.024 6.392 1.374 1.00 0.00 C ATOM 1354 O ALA A 91 -2.773 6.268 0.172 1.00 0.00 O ATOM 1355 CB ALA A 91 -4.451 4.941 2.825 1.00 0.00 C ATOM 0 H ALA A 91 -4.919 5.467 -0.020 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.766 7.021 2.453 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.765 5.115 3.654 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.458 4.791 3.213 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.138 4.053 2.275 1.00 0.00 H new ATOM 1361 N THR A 92 -2.100 6.734 2.279 1.00 0.00 N ATOM 1362 CA THR A 92 -0.709 6.991 1.898 1.00 0.00 C ATOM 1363 C THR A 92 0.250 6.638 3.032 1.00 0.00 C ATOM 1364 O THR A 92 -0.129 6.651 4.204 1.00 0.00 O ATOM 1365 CB THR A 92 -0.513 8.459 1.491 1.00 0.00 C ATOM 1366 OG1 THR A 92 -1.409 9.304 2.190 1.00 0.00 O ATOM 1367 CG2 THR A 92 -0.715 8.699 0.014 1.00 0.00 C ATOM 0 H THR A 92 -2.290 6.839 3.276 1.00 0.00 H new ATOM 0 HA THR A 92 -0.484 6.354 1.042 1.00 0.00 H new ATOM 0 HB THR A 92 0.521 8.691 1.745 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.264 10.233 1.915 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.562 9.755 -0.207 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.000 8.102 -0.553 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.729 8.413 -0.266 1.00 0.00 H new ATOM 1375 N VAL A 93 1.498 6.332 2.663 1.00 0.00 N ATOM 1376 CA VAL A 93 2.529 5.983 3.633 1.00 0.00 C ATOM 1377 C VAL A 93 3.901 6.505 3.188 1.00 0.00 C ATOM 1378 O VAL A 93 4.461 6.027 2.199 1.00 0.00 O ATOM 1379 CB VAL A 93 2.582 4.448 3.860 1.00 0.00 C ATOM 1380 CG1 VAL A 93 2.843 3.710 2.548 1.00 0.00 C ATOM 1381 CG2 VAL A 93 3.620 4.075 4.926 1.00 0.00 C ATOM 0 H VAL A 93 1.815 6.320 1.694 1.00 0.00 H new ATOM 0 HA VAL A 93 2.270 6.461 4.578 1.00 0.00 H new ATOM 0 HB VAL A 93 1.607 4.133 4.232 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.875 2.637 2.735 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.044 3.931 1.841 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.796 4.035 2.131 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.631 2.993 5.060 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.606 4.411 4.607 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.361 4.555 5.870 1.00 0.00 H new ATOM 1391 N ASN A 94 4.434 7.476 3.939 1.00 0.00 N ATOM 1392 CA ASN A 94 5.744 8.050 3.648 1.00 0.00 C ATOM 1393 C ASN A 94 6.843 7.031 3.967 1.00 0.00 C ATOM 1394 O ASN A 94 7.310 6.946 5.107 1.00 0.00 O ATOM 1395 CB ASN A 94 5.938 9.355 4.454 1.00 0.00 C ATOM 1396 CG ASN A 94 7.358 9.931 4.414 1.00 0.00 C ATOM 1397 OD1 ASN A 94 7.839 10.472 5.409 1.00 0.00 O ATOM 1398 ND2 ASN A 94 8.036 9.817 3.271 1.00 0.00 N ATOM 0 H ASN A 94 3.973 7.879 4.755 1.00 0.00 H new ATOM 0 HA ASN A 94 5.807 8.295 2.588 1.00 0.00 H new ATOM 0 HB2 ASN A 94 5.246 10.106 4.074 1.00 0.00 H new ATOM 0 HB3 ASN A 94 5.666 9.167 5.493 1.00 0.00 H new ATOM 0 HD21 ASN A 94 8.985 10.185 3.202 1.00 0.00 H new ATOM 0 HD22 ASN A 94 7.606 9.362 2.466 1.00 0.00 H new ATOM 1405 N VAL A 95 7.250 6.263 2.952 1.00 0.00 N ATOM 1406 CA VAL A 95 8.295 5.255 3.121 1.00 0.00 C ATOM 1407 C VAL A 95 9.660 5.824 2.724 1.00 0.00 C ATOM 1408 O VAL A 95 9.866 6.207 1.574 1.00 0.00 O ATOM 1409 CB VAL A 95 8.020 3.974 2.291 1.00 0.00 C ATOM 1410 CG1 VAL A 95 8.971 2.871 2.717 1.00 0.00 C ATOM 1411 CG2 VAL A 95 6.568 3.504 2.433 1.00 0.00 C ATOM 0 H VAL A 95 6.871 6.322 2.007 1.00 0.00 H new ATOM 0 HA VAL A 95 8.296 4.982 4.176 1.00 0.00 H new ATOM 0 HB VAL A 95 8.186 4.214 1.241 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.773 1.974 2.131 1.00 0.00 H new ATOM 0 HG12 VAL A 95 9.999 3.193 2.552 1.00 0.00 H new ATOM 0 HG13 VAL A 95 8.825 2.653 3.775 1.00 0.00 H new ATOM 0 HG21 VAL A 95 6.417 2.604 1.836 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.357 3.285 3.480 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.896 4.288 2.084 1.00 0.00 H new ATOM 1421 N LYS A 96 10.586 5.878 3.688 1.00 0.00 N ATOM 1422 CA LYS A 96 11.933 6.401 3.448 1.00 0.00 C ATOM 1423 C LYS A 96 12.956 5.264 3.334 1.00 0.00 C ATOM 1424 O LYS A 96 12.743 4.172 3.866 1.00 0.00 O ATOM 1425 CB LYS A 96 12.334 7.356 4.594 1.00 0.00 C ATOM 1426 CG LYS A 96 12.745 8.743 4.124 1.00 0.00 C ATOM 1427 CD LYS A 96 13.262 9.595 5.274 1.00 0.00 C ATOM 1428 CE LYS A 96 12.136 10.051 6.191 1.00 0.00 C ATOM 1429 NZ LYS A 96 11.501 11.309 5.710 1.00 0.00 N ATOM 0 H LYS A 96 10.425 5.564 4.645 1.00 0.00 H new ATOM 0 HA LYS A 96 11.925 6.946 2.504 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.496 7.450 5.285 1.00 0.00 H new ATOM 0 HB3 LYS A 96 13.159 6.913 5.152 1.00 0.00 H new ATOM 0 HG2 LYS A 96 13.518 8.655 3.360 1.00 0.00 H new ATOM 0 HG3 LYS A 96 11.892 9.238 3.659 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.991 9.025 5.850 1.00 0.00 H new ATOM 0 HD3 LYS A 96 13.782 10.466 4.876 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.382 9.267 6.257 1.00 0.00 H new ATOM 0 HE3 LYS A 96 12.527 10.204 7.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 10.740 11.585 6.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 12.214 12.065 5.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.105 11.157 4.760 1.00 0.00 H new ATOM 1443 N ILE A 97 14.084 5.554 2.678 1.00 0.00 N ATOM 1444 CA ILE A 97 15.174 4.589 2.535 1.00 0.00 C ATOM 1445 C ILE A 97 16.511 5.323 2.485 1.00 0.00 C ATOM 1446 O ILE A 97 16.623 6.381 1.861 1.00 0.00 O ATOM 1447 CB ILE A 97 15.050 3.662 1.295 1.00 0.00 C ATOM 1448 CG1 ILE A 97 13.618 3.086 1.189 1.00 0.00 C ATOM 1449 CG2 ILE A 97 16.099 2.540 1.381 1.00 0.00 C ATOM 1450 CD1 ILE A 97 13.423 2.042 0.102 1.00 0.00 C ATOM 0 H ILE A 97 14.265 6.455 2.236 1.00 0.00 H new ATOM 0 HA ILE A 97 15.113 3.941 3.409 1.00 0.00 H new ATOM 0 HB ILE A 97 15.238 4.242 0.392 1.00 0.00 H new ATOM 0 HG12 ILE A 97 13.349 2.644 2.148 1.00 0.00 H new ATOM 0 HG13 ILE A 97 12.925 3.908 1.011 1.00 0.00 H new ATOM 0 HG21 ILE A 97 16.010 1.891 0.510 1.00 0.00 H new ATOM 0 HG22 ILE A 97 17.097 2.977 1.408 1.00 0.00 H new ATOM 0 HG23 ILE A 97 15.934 1.956 2.287 1.00 0.00 H new ATOM 0 HD11 ILE A 97 12.388 1.700 0.108 1.00 0.00 H new ATOM 0 HD12 ILE A 97 13.655 2.480 -0.869 1.00 0.00 H new ATOM 0 HD13 ILE A 97 14.086 1.197 0.286 1.00 0.00 H new ATOM 1462 N PHE A 98 17.522 4.757 3.153 1.00 0.00 N ATOM 1463 CA PHE A 98 18.866 5.358 3.197 1.00 0.00 C ATOM 1464 C PHE A 98 19.921 4.338 2.763 1.00 0.00 C ATOM 1465 O PHE A 98 19.928 3.197 3.236 1.00 0.00 O ATOM 1466 CB PHE A 98 19.204 5.932 4.603 1.00 0.00 C ATOM 1467 CG PHE A 98 18.226 5.583 5.700 1.00 0.00 C ATOM 1468 CD1 PHE A 98 16.992 6.211 5.768 1.00 0.00 C ATOM 1469 CD2 PHE A 98 18.540 4.624 6.649 1.00 0.00 C ATOM 1470 CE1 PHE A 98 16.091 5.890 6.761 1.00 0.00 C ATOM 1471 CE2 PHE A 98 17.642 4.300 7.645 1.00 0.00 C ATOM 1472 CZ PHE A 98 16.415 4.934 7.700 1.00 0.00 C ATOM 0 H PHE A 98 17.438 3.883 3.672 1.00 0.00 H new ATOM 0 HA PHE A 98 18.873 6.194 2.498 1.00 0.00 H new ATOM 0 HB2 PHE A 98 20.192 5.575 4.894 1.00 0.00 H new ATOM 0 HB3 PHE A 98 19.266 7.018 4.528 1.00 0.00 H new ATOM 0 HD1 PHE A 98 16.733 6.960 5.035 1.00 0.00 H new ATOM 0 HD2 PHE A 98 19.497 4.125 6.609 1.00 0.00 H new ATOM 0 HE1 PHE A 98 15.133 6.387 6.803 1.00 0.00 H new ATOM 0 HE2 PHE A 98 17.897 3.552 8.381 1.00 0.00 H new ATOM 0 HZ PHE A 98 15.710 4.681 8.478 1.00 0.00 H new ATOM 1482 N GLN A 99 20.804 4.763 1.853 1.00 0.00 N ATOM 1483 CA GLN A 99 21.866 3.902 1.339 1.00 0.00 C ATOM 1484 C GLN A 99 23.108 3.978 2.225 1.00 0.00 C ATOM 1485 O GLN A 99 24.177 3.508 1.782 1.00 0.00 O ATOM 1486 CB GLN A 99 22.216 4.305 -0.099 1.00 0.00 C ATOM 1487 CG GLN A 99 22.776 3.166 -0.934 1.00 0.00 C ATOM 1488 CD GLN A 99 23.450 3.656 -2.205 1.00 0.00 C ATOM 1489 OE1 GLN A 99 24.666 3.536 -2.357 1.00 0.00 O ATOM 1490 NE2 GLN A 99 22.667 4.213 -3.128 1.00 0.00 N ATOM 1491 OXT GLN A 99 22.999 4.508 3.351 1.00 0.00 O ATOM 0 H GLN A 99 20.801 5.703 1.458 1.00 0.00 H new ATOM 0 HA GLN A 99 21.507 2.873 1.345 1.00 0.00 H new ATOM 0 HB2 GLN A 99 21.322 4.695 -0.585 1.00 0.00 H new ATOM 0 HB3 GLN A 99 22.944 5.116 -0.073 1.00 0.00 H new ATOM 0 HG2 GLN A 99 23.495 2.602 -0.339 1.00 0.00 H new ATOM 0 HG3 GLN A 99 21.970 2.480 -1.195 1.00 0.00 H new ATOM 0 HE21 GLN A 99 21.664 4.294 -2.964 1.00 0.00 H new ATOM 0 HE22 GLN A 99 23.071 4.558 -3.999 1.00 0.00 H new