USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 811 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 71 ASN :FLIP amide:sc= -0.252! C(o=-11!,f=-5.6!) USER MOD Set 1.2: A 86 THR OG1 : rot -34:sc= -5.36! USER MOD Set 2.1: A 37 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 38 SER OG : rot -29:sc= 0.489 USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.0215 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.1) USER MOD Single : A 18 ASN : amide:sc= -0.0454 K(o=-0.045,f=-1.4) USER MOD Single : A 20 ASN : amide:sc= -3.58! C(o=-3.6!,f=-3.5!) USER MOD Single : A 21 SER OG : rot -146:sc= -1.06 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -79:sc= 0.829 USER MOD Single : A 32 LYS NZ :NH3+ -132:sc= -4.19! (180deg=-5!) USER MOD Single : A 36 ASN : amide:sc= -1.4 K(o=-1.4,f=-8.7!) USER MOD Single : A 41 HIS : no HD1:sc= -0.443 K(o=-0.44,f=-1.1) USER MOD Single : A 45 TYR OH : rot 180:sc= -1.78 USER MOD Single : A 47 LYS NZ :NH3+ -133:sc= -0.611 (180deg=-1.73!) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HE2:sc= -8.03! C(o=-8!,f=-13!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0.0808 USER MOD Single : A 79 THR OG1 : rot 170:sc= -0.289 USER MOD Single : A 80 HIS :FLIP no HD1:sc= -6.91! C(o=-7.7!,f=-6.9!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN :FLIP amide:sc= -4.71! C(o=-5.8!,f=-4.7!) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot -98:sc= 1.19 USER MOD Single : A 92 GLN : amide:sc= -0.097 X(o=-0.097,f=0) USER MOD Single : A 95 HIS : no HD1:sc= -10.8! C(o=-11!,f=-12!) USER MOD Single : A 100 LYS NZ :NH3+ -143:sc= -3.95! (180deg=-6.58!) USER MOD Single : A 102 GLN : amide:sc= -1.91! C(o=-1.9!,f=-2.3!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.0449 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.094 -12.952 -16.716 1.00 0.00 N ATOM 2 CA GLY A 1 11.445 -11.673 -16.316 1.00 0.00 C ATOM 3 C GLY A 1 12.402 -10.498 -16.362 1.00 0.00 C ATOM 4 O GLY A 1 13.327 -10.473 -17.172 1.00 0.00 O ATOM 0 H1 GLY A 1 11.511 -13.428 -17.434 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.036 -12.755 -17.110 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.189 -13.568 -15.884 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.600 -11.476 -16.976 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.045 -11.772 -15.307 1.00 0.00 H new ATOM 10 N SER A 2 12.178 -9.521 -15.489 1.00 0.00 N ATOM 11 CA SER A 2 13.026 -8.336 -15.434 1.00 0.00 C ATOM 12 C SER A 2 13.160 -7.830 -14.001 1.00 0.00 C ATOM 13 O SER A 2 12.534 -6.841 -13.619 1.00 0.00 O ATOM 14 CB SER A 2 12.457 -7.232 -16.327 1.00 0.00 C ATOM 15 OG SER A 2 13.492 -6.436 -16.877 1.00 0.00 O ATOM 0 H SER A 2 11.417 -9.527 -14.810 1.00 0.00 H new ATOM 0 HA SER A 2 14.016 -8.611 -15.797 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.870 -7.677 -17.131 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.780 -6.604 -15.748 1.00 0.00 H new ATOM 0 HG SER A 2 13.102 -5.739 -17.445 1.00 0.00 H new ATOM 21 N SER A 3 13.982 -8.515 -13.211 1.00 0.00 N ATOM 22 CA SER A 3 14.199 -8.136 -11.820 1.00 0.00 C ATOM 23 C SER A 3 12.899 -8.218 -11.023 1.00 0.00 C ATOM 24 O SER A 3 11.811 -8.064 -11.576 1.00 0.00 O ATOM 25 CB SER A 3 14.772 -6.719 -11.738 1.00 0.00 C ATOM 26 OG SER A 3 16.189 -6.742 -11.718 1.00 0.00 O ATOM 0 H SER A 3 14.508 -9.335 -13.511 1.00 0.00 H new ATOM 0 HA SER A 3 14.914 -8.836 -11.387 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.427 -6.134 -12.590 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.401 -6.225 -10.840 1.00 0.00 H new ATOM 0 HG SER A 3 16.530 -5.825 -11.667 1.00 0.00 H new ATOM 32 N PRO A 4 12.997 -8.464 -9.704 1.00 0.00 N ATOM 33 CA PRO A 4 11.823 -8.566 -8.832 1.00 0.00 C ATOM 34 C PRO A 4 11.152 -7.213 -8.604 1.00 0.00 C ATOM 35 O PRO A 4 11.779 -6.279 -8.106 1.00 0.00 O ATOM 36 CB PRO A 4 12.404 -9.099 -7.520 1.00 0.00 C ATOM 37 CG PRO A 4 13.823 -8.649 -7.524 1.00 0.00 C ATOM 38 CD PRO A 4 14.258 -8.661 -8.964 1.00 0.00 C ATOM 0 HA PRO A 4 11.048 -9.201 -9.262 1.00 0.00 H new ATOM 0 HB2 PRO A 4 11.866 -8.703 -6.659 1.00 0.00 H new ATOM 0 HB3 PRO A 4 12.333 -10.185 -7.468 1.00 0.00 H new ATOM 0 HG2 PRO A 4 13.917 -7.651 -7.096 1.00 0.00 H new ATOM 0 HG3 PRO A 4 14.445 -9.313 -6.923 1.00 0.00 H new ATOM 0 HD2 PRO A 4 14.975 -7.867 -9.174 1.00 0.00 H new ATOM 0 HD3 PRO A 4 14.738 -9.603 -9.231 1.00 0.00 H new ATOM 46 N PRO A 5 9.861 -7.086 -8.966 1.00 0.00 N ATOM 47 CA PRO A 5 9.116 -5.834 -8.794 1.00 0.00 C ATOM 48 C PRO A 5 8.887 -5.495 -7.325 1.00 0.00 C ATOM 49 O PRO A 5 8.251 -6.254 -6.594 1.00 0.00 O ATOM 50 CB PRO A 5 7.781 -6.109 -9.493 1.00 0.00 C ATOM 51 CG PRO A 5 7.636 -7.591 -9.463 1.00 0.00 C ATOM 52 CD PRO A 5 9.029 -8.144 -9.568 1.00 0.00 C ATOM 0 HA PRO A 5 9.657 -4.981 -9.204 1.00 0.00 H new ATOM 0 HB2 PRO A 5 6.955 -5.620 -8.976 1.00 0.00 H new ATOM 0 HB3 PRO A 5 7.785 -5.732 -10.516 1.00 0.00 H new ATOM 0 HG2 PRO A 5 7.155 -7.918 -8.541 1.00 0.00 H new ATOM 0 HG3 PRO A 5 7.014 -7.939 -10.288 1.00 0.00 H new ATOM 0 HD2 PRO A 5 9.128 -9.088 -9.032 1.00 0.00 H new ATOM 0 HD3 PRO A 5 9.309 -8.335 -10.604 1.00 0.00 H new ATOM 60 N LYS A 6 9.412 -4.350 -6.897 1.00 0.00 N ATOM 61 CA LYS A 6 9.266 -3.911 -5.514 1.00 0.00 C ATOM 62 C LYS A 6 8.425 -2.667 -5.424 1.00 0.00 C ATOM 63 O LYS A 6 8.510 -1.772 -6.265 1.00 0.00 O ATOM 64 CB LYS A 6 10.637 -3.687 -4.871 1.00 0.00 C ATOM 65 CG LYS A 6 10.570 -3.186 -3.437 1.00 0.00 C ATOM 66 CD LYS A 6 11.905 -2.619 -2.981 1.00 0.00 C ATOM 67 CE LYS A 6 12.690 -3.632 -2.165 1.00 0.00 C ATOM 68 NZ LYS A 6 13.429 -2.988 -1.043 1.00 0.00 N ATOM 0 H LYS A 6 9.942 -3.710 -7.489 1.00 0.00 H new ATOM 0 HA LYS A 6 8.753 -4.700 -4.964 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.195 -4.623 -4.893 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.196 -2.969 -5.471 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.800 -2.418 -3.354 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.277 -4.004 -2.778 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.490 -2.319 -3.850 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.736 -1.722 -2.385 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.009 -4.384 -1.767 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.395 -4.152 -2.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 13.952 -3.712 -0.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.098 -2.288 -1.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.754 -2.513 -0.410 1.00 0.00 H new ATOM 82 N PRO A 7 7.568 -2.619 -4.401 1.00 0.00 N ATOM 83 CA PRO A 7 6.669 -1.507 -4.197 1.00 0.00 C ATOM 84 C PRO A 7 7.388 -0.165 -4.156 1.00 0.00 C ATOM 85 O PRO A 7 8.564 -0.064 -4.504 1.00 0.00 O ATOM 86 CB PRO A 7 5.989 -1.806 -2.852 1.00 0.00 C ATOM 87 CG PRO A 7 6.795 -2.901 -2.238 1.00 0.00 C ATOM 88 CD PRO A 7 7.382 -3.664 -3.382 1.00 0.00 C ATOM 0 HA PRO A 7 5.962 -1.417 -5.022 1.00 0.00 H new ATOM 0 HB2 PRO A 7 5.975 -0.923 -2.214 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.953 -2.113 -2.995 1.00 0.00 H new ATOM 0 HG2 PRO A 7 7.577 -2.498 -1.595 1.00 0.00 H new ATOM 0 HG3 PRO A 7 6.172 -3.545 -1.617 1.00 0.00 H new ATOM 0 HD2 PRO A 7 8.325 -4.139 -3.111 1.00 0.00 H new ATOM 0 HD3 PRO A 7 6.715 -4.454 -3.728 1.00 0.00 H new ATOM 96 N GLY A 8 6.662 0.869 -3.751 1.00 0.00 N ATOM 97 CA GLY A 8 7.229 2.201 -3.698 1.00 0.00 C ATOM 98 C GLY A 8 6.738 3.032 -4.861 1.00 0.00 C ATOM 99 O GLY A 8 7.416 3.957 -5.312 1.00 0.00 O ATOM 0 H GLY A 8 5.687 0.808 -3.457 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.956 2.682 -2.759 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.317 2.141 -3.720 1.00 0.00 H new ATOM 103 N ASP A 9 5.558 2.672 -5.362 1.00 0.00 N ATOM 104 CA ASP A 9 4.949 3.333 -6.493 1.00 0.00 C ATOM 105 C ASP A 9 3.718 2.551 -6.872 1.00 0.00 C ATOM 106 O ASP A 9 3.000 2.045 -6.009 1.00 0.00 O ATOM 107 CB ASP A 9 5.930 3.391 -7.653 1.00 0.00 C ATOM 108 CG ASP A 9 5.980 4.760 -8.306 1.00 0.00 C ATOM 109 OD1 ASP A 9 5.021 5.108 -9.026 1.00 0.00 O ATOM 110 OD2 ASP A 9 6.977 5.481 -8.097 1.00 0.00 O ATOM 0 H ASP A 9 5.000 1.906 -4.985 1.00 0.00 H new ATOM 0 HA ASP A 9 4.676 4.358 -6.240 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.925 3.126 -7.296 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.650 2.647 -8.399 1.00 0.00 H new ATOM 115 N ILE A 10 3.484 2.435 -8.147 1.00 0.00 N ATOM 116 CA ILE A 10 2.343 1.691 -8.607 1.00 0.00 C ATOM 117 C ILE A 10 2.665 0.194 -8.574 1.00 0.00 C ATOM 118 O ILE A 10 3.342 -0.351 -9.444 1.00 0.00 O ATOM 119 CB ILE A 10 1.948 2.170 -10.026 1.00 0.00 C ATOM 120 CG1 ILE A 10 0.464 2.542 -10.062 1.00 0.00 C ATOM 121 CG2 ILE A 10 2.267 1.142 -11.106 1.00 0.00 C ATOM 122 CD1 ILE A 10 -0.447 1.454 -9.530 1.00 0.00 C ATOM 0 H ILE A 10 4.061 2.842 -8.883 1.00 0.00 H new ATOM 0 HA ILE A 10 1.489 1.863 -7.952 1.00 0.00 H new ATOM 0 HB ILE A 10 2.550 3.052 -10.246 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.311 3.450 -9.478 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.180 2.772 -11.089 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.969 1.532 -12.079 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.338 0.938 -11.109 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.723 0.220 -10.903 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.483 1.787 -9.586 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.323 0.551 -10.128 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.191 1.240 -8.493 1.00 0.00 H new ATOM 134 N PHE A 11 2.162 -0.453 -7.531 1.00 0.00 N ATOM 135 CA PHE A 11 2.352 -1.882 -7.322 1.00 0.00 C ATOM 136 C PHE A 11 0.998 -2.590 -7.308 1.00 0.00 C ATOM 137 O PHE A 11 0.026 -2.030 -6.822 1.00 0.00 O ATOM 138 CB PHE A 11 3.134 -2.111 -6.019 1.00 0.00 C ATOM 139 CG PHE A 11 2.932 -3.454 -5.402 1.00 0.00 C ATOM 140 CD1 PHE A 11 3.356 -4.598 -6.053 1.00 0.00 C ATOM 141 CD2 PHE A 11 2.326 -3.567 -4.167 1.00 0.00 C ATOM 142 CE1 PHE A 11 3.174 -5.835 -5.479 1.00 0.00 C ATOM 143 CE2 PHE A 11 2.141 -4.800 -3.588 1.00 0.00 C ATOM 144 CZ PHE A 11 2.566 -5.934 -4.246 1.00 0.00 C ATOM 0 H PHE A 11 1.609 0.000 -6.804 1.00 0.00 H new ATOM 0 HA PHE A 11 2.934 -2.305 -8.141 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.197 -1.974 -6.219 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.844 -1.347 -5.298 1.00 0.00 H new ATOM 0 HD1 PHE A 11 3.833 -4.520 -7.019 1.00 0.00 H new ATOM 0 HD2 PHE A 11 1.994 -2.678 -3.651 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.506 -6.725 -5.993 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.665 -4.880 -2.622 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.422 -6.904 -3.794 1.00 0.00 H new ATOM 154 N GLU A 12 0.925 -3.819 -7.804 1.00 0.00 N ATOM 155 CA GLU A 12 -0.328 -4.548 -7.794 1.00 0.00 C ATOM 156 C GLU A 12 -0.240 -5.742 -6.849 1.00 0.00 C ATOM 157 O GLU A 12 0.848 -6.282 -6.660 1.00 0.00 O ATOM 158 CB GLU A 12 -0.744 -4.971 -9.212 1.00 0.00 C ATOM 159 CG GLU A 12 -0.909 -6.473 -9.402 1.00 0.00 C ATOM 160 CD GLU A 12 -1.088 -6.859 -10.858 1.00 0.00 C ATOM 161 OE1 GLU A 12 -0.142 -6.656 -11.647 1.00 0.00 O ATOM 162 OE2 GLU A 12 -2.176 -7.364 -11.209 1.00 0.00 O ATOM 0 H GLU A 12 1.711 -4.324 -8.213 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.108 -3.883 -7.423 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.685 -4.481 -9.462 1.00 0.00 H new ATOM 0 HB3 GLU A 12 0.002 -4.608 -9.919 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.035 -6.985 -8.999 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.771 -6.816 -8.830 1.00 0.00 H new ATOM 169 N VAL A 13 -1.361 -6.174 -6.241 1.00 0.00 N ATOM 170 CA VAL A 13 -1.284 -7.293 -5.343 1.00 0.00 C ATOM 171 C VAL A 13 -2.204 -8.388 -5.828 1.00 0.00 C ATOM 172 O VAL A 13 -3.427 -8.257 -5.801 1.00 0.00 O ATOM 173 CB VAL A 13 -1.659 -6.852 -3.912 1.00 0.00 C ATOM 174 CG1 VAL A 13 -1.051 -5.490 -3.595 1.00 0.00 C ATOM 175 CG2 VAL A 13 -3.165 -6.807 -3.719 1.00 0.00 C ATOM 0 H VAL A 13 -2.289 -5.769 -6.362 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.264 -7.675 -5.321 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.252 -7.593 -3.224 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.326 -5.196 -2.582 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.035 -5.549 -3.674 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.426 -4.750 -4.302 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.392 -6.493 -2.700 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.601 -6.098 -4.423 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.584 -7.798 -3.895 1.00 0.00 H new ATOM 185 N GLU A 14 -1.611 -9.457 -6.314 1.00 0.00 N ATOM 186 CA GLU A 14 -2.385 -10.539 -6.838 1.00 0.00 C ATOM 187 C GLU A 14 -2.227 -11.849 -6.063 1.00 0.00 C ATOM 188 O GLU A 14 -1.118 -12.347 -5.890 1.00 0.00 O ATOM 189 CB GLU A 14 -1.973 -10.798 -8.253 1.00 0.00 C ATOM 190 CG GLU A 14 -0.577 -11.375 -8.389 1.00 0.00 C ATOM 191 CD GLU A 14 -0.065 -11.342 -9.815 1.00 0.00 C ATOM 192 OE1 GLU A 14 -0.428 -12.247 -10.597 1.00 0.00 O ATOM 193 OE2 GLU A 14 0.700 -10.414 -10.150 1.00 0.00 O ATOM 0 H GLU A 14 -0.601 -9.591 -6.353 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.427 -10.230 -6.756 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.686 -11.485 -8.709 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.026 -9.865 -8.814 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.106 -10.816 -7.749 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.578 -12.405 -8.032 1.00 0.00 H new ATOM 200 N LEU A 15 -3.351 -12.429 -5.709 1.00 0.00 N ATOM 201 CA LEU A 15 -3.431 -13.733 -5.049 1.00 0.00 C ATOM 202 C LEU A 15 -4.664 -14.470 -5.535 1.00 0.00 C ATOM 203 O LEU A 15 -5.687 -13.854 -5.830 1.00 0.00 O ATOM 204 CB LEU A 15 -3.458 -13.625 -3.519 1.00 0.00 C ATOM 205 CG LEU A 15 -2.208 -14.187 -2.850 1.00 0.00 C ATOM 206 CD1 LEU A 15 -2.238 -15.708 -2.844 1.00 0.00 C ATOM 207 CD2 LEU A 15 -0.989 -13.671 -3.589 1.00 0.00 C ATOM 0 H LEU A 15 -4.264 -12.004 -5.872 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.529 -14.286 -5.312 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.572 -12.578 -3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.333 -14.154 -3.140 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.168 -13.859 -1.811 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.337 -16.088 -2.362 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.115 -16.052 -2.296 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.283 -16.075 -3.869 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.086 -14.065 -3.122 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.030 -13.995 -4.629 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.973 -12.582 -3.548 1.00 0.00 H new ATOM 219 N ALA A 16 -4.575 -15.788 -5.599 1.00 0.00 N ATOM 220 CA ALA A 16 -5.688 -16.598 -6.029 1.00 0.00 C ATOM 221 C ALA A 16 -6.239 -17.315 -4.826 1.00 0.00 C ATOM 222 O ALA A 16 -5.504 -18.046 -4.165 1.00 0.00 O ATOM 223 CB ALA A 16 -5.225 -17.584 -7.083 1.00 0.00 C ATOM 0 H ALA A 16 -3.737 -16.316 -5.356 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.468 -15.978 -6.470 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.068 -18.194 -7.406 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.822 -17.041 -7.938 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.451 -18.227 -6.665 1.00 0.00 H new ATOM 229 N LYS A 17 -7.512 -17.090 -4.510 1.00 0.00 N ATOM 230 CA LYS A 17 -8.096 -17.732 -3.331 1.00 0.00 C ATOM 231 C LYS A 17 -7.624 -19.171 -3.221 1.00 0.00 C ATOM 232 O LYS A 17 -8.219 -20.086 -3.793 1.00 0.00 O ATOM 233 CB LYS A 17 -9.619 -17.695 -3.332 1.00 0.00 C ATOM 234 CG LYS A 17 -10.206 -18.454 -2.157 1.00 0.00 C ATOM 235 CD LYS A 17 -11.041 -19.640 -2.612 1.00 0.00 C ATOM 236 CE LYS A 17 -11.283 -20.620 -1.476 1.00 0.00 C ATOM 237 NZ LYS A 17 -10.061 -21.402 -1.146 1.00 0.00 N ATOM 0 H LYS A 17 -8.145 -16.487 -5.035 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.755 -17.161 -2.467 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.957 -16.659 -3.300 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.992 -18.123 -4.263 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.401 -18.803 -1.511 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.824 -17.781 -1.562 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.997 -19.286 -2.998 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.535 -20.150 -3.432 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.615 -20.076 -0.592 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.087 -21.303 -1.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.316 -22.201 -0.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.633 -21.763 -2.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.379 -20.790 -0.654 1.00 0.00 H new ATOM 251 N ASN A 18 -6.535 -19.350 -2.498 1.00 0.00 N ATOM 252 CA ASN A 18 -5.951 -20.682 -2.326 1.00 0.00 C ATOM 253 C ASN A 18 -5.505 -20.929 -0.891 1.00 0.00 C ATOM 254 O ASN A 18 -5.954 -21.876 -0.244 1.00 0.00 O ATOM 255 CB ASN A 18 -4.763 -20.861 -3.273 1.00 0.00 C ATOM 256 CG ASN A 18 -4.560 -22.308 -3.679 1.00 0.00 C ATOM 257 OD1 ASN A 18 -5.182 -23.213 -3.123 1.00 0.00 O ATOM 258 ND2 ASN A 18 -3.685 -22.532 -4.653 1.00 0.00 N ATOM 0 H ASN A 18 -6.034 -18.601 -2.020 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.726 -21.410 -2.564 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.919 -20.255 -4.165 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.858 -20.492 -2.790 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.506 -23.485 -4.969 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -3.192 -21.751 -5.085 1.00 0.00 H new ATOM 265 N ASP A 19 -4.632 -20.066 -0.394 1.00 0.00 N ATOM 266 CA ASP A 19 -4.133 -20.177 0.970 1.00 0.00 C ATOM 267 C ASP A 19 -4.420 -18.886 1.688 1.00 0.00 C ATOM 268 O ASP A 19 -4.781 -18.858 2.864 1.00 0.00 O ATOM 269 CB ASP A 19 -2.633 -20.478 0.982 1.00 0.00 C ATOM 270 CG ASP A 19 -2.224 -21.322 2.173 1.00 0.00 C ATOM 271 OD1 ASP A 19 -2.064 -20.757 3.275 1.00 0.00 O ATOM 272 OD2 ASP A 19 -2.061 -22.549 2.004 1.00 0.00 O ATOM 0 H ASP A 19 -4.252 -19.277 -0.917 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.634 -21.003 1.476 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.362 -20.996 0.062 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.077 -19.541 0.996 1.00 0.00 H new ATOM 277 N ASN A 20 -4.302 -17.829 0.923 1.00 0.00 N ATOM 278 CA ASN A 20 -4.577 -16.497 1.375 1.00 0.00 C ATOM 279 C ASN A 20 -4.706 -15.612 0.163 1.00 0.00 C ATOM 280 O ASN A 20 -4.161 -15.917 -0.897 1.00 0.00 O ATOM 281 CB ASN A 20 -3.489 -15.958 2.301 1.00 0.00 C ATOM 282 CG ASN A 20 -3.457 -16.672 3.638 1.00 0.00 C ATOM 283 OD1 ASN A 20 -2.491 -17.362 3.963 1.00 0.00 O ATOM 284 ND2 ASN A 20 -4.516 -16.508 4.422 1.00 0.00 N ATOM 0 H ASN A 20 -4.005 -17.877 -0.052 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.500 -16.510 1.954 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.519 -16.061 1.815 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.652 -14.893 2.466 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.551 -16.963 5.334 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.295 -15.927 4.112 1.00 0.00 H new ATOM 291 N SER A 21 -5.425 -14.528 0.306 1.00 0.00 N ATOM 292 CA SER A 21 -5.612 -13.627 -0.805 1.00 0.00 C ATOM 293 C SER A 21 -6.214 -12.343 -0.273 1.00 0.00 C ATOM 294 O SER A 21 -7.072 -11.712 -0.892 1.00 0.00 O ATOM 295 CB SER A 21 -6.505 -14.300 -1.860 1.00 0.00 C ATOM 296 OG SER A 21 -6.423 -13.630 -3.106 1.00 0.00 O ATOM 0 H SER A 21 -5.887 -14.249 1.171 1.00 0.00 H new ATOM 0 HA SER A 21 -4.666 -13.388 -1.290 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.205 -15.341 -1.984 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.539 -14.305 -1.515 1.00 0.00 H new ATOM 0 HG SER A 21 -7.290 -13.676 -3.560 1.00 0.00 H new ATOM 302 N LEU A 22 -5.756 -12.009 0.924 1.00 0.00 N ATOM 303 CA LEU A 22 -6.208 -10.855 1.670 1.00 0.00 C ATOM 304 C LEU A 22 -5.696 -10.990 3.091 1.00 0.00 C ATOM 305 O LEU A 22 -5.109 -12.007 3.438 1.00 0.00 O ATOM 306 CB LEU A 22 -7.713 -10.870 1.802 1.00 0.00 C ATOM 307 CG LEU A 22 -8.114 -11.496 3.136 1.00 0.00 C ATOM 308 CD1 LEU A 22 -8.996 -10.550 3.938 1.00 0.00 C ATOM 309 CD2 LEU A 22 -8.799 -12.837 2.926 1.00 0.00 C ATOM 0 H LEU A 22 -5.042 -12.550 1.412 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.861 -9.956 1.160 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.102 -9.854 1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.153 -11.434 0.979 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.205 -11.673 3.710 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.268 -11.020 4.883 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.453 -9.625 4.135 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.900 -10.327 3.371 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.074 -13.260 3.892 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.696 -12.697 2.323 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.119 -13.516 2.412 1.00 0.00 H new ATOM 321 N GLY A 23 -6.003 -10.014 3.933 1.00 0.00 N ATOM 322 CA GLY A 23 -5.627 -10.102 5.330 1.00 0.00 C ATOM 323 C GLY A 23 -5.326 -8.755 5.896 1.00 0.00 C ATOM 324 O GLY A 23 -4.408 -8.590 6.687 1.00 0.00 O ATOM 0 H GLY A 23 -6.505 -9.164 3.675 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.434 -10.565 5.898 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.754 -10.746 5.434 1.00 0.00 H new ATOM 328 N ILE A 24 -6.090 -7.779 5.470 1.00 0.00 N ATOM 329 CA ILE A 24 -5.870 -6.422 5.919 1.00 0.00 C ATOM 330 C ILE A 24 -7.073 -5.833 6.626 1.00 0.00 C ATOM 331 O ILE A 24 -8.219 -6.169 6.325 1.00 0.00 O ATOM 332 CB ILE A 24 -5.478 -5.526 4.736 1.00 0.00 C ATOM 333 CG1 ILE A 24 -6.658 -5.361 3.773 1.00 0.00 C ATOM 334 CG2 ILE A 24 -4.278 -6.142 4.007 1.00 0.00 C ATOM 335 CD1 ILE A 24 -6.358 -4.457 2.598 1.00 0.00 C ATOM 0 H ILE A 24 -6.865 -7.895 4.817 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.056 -6.462 6.643 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.205 -4.539 5.111 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.952 -6.342 3.400 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.510 -4.960 4.321 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.998 -5.507 3.166 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.437 -6.224 4.696 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.545 -7.133 3.640 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.238 -4.387 1.959 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.093 -3.464 2.961 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.526 -4.868 2.026 1.00 0.00 H new ATOM 347 N SER A 25 -6.794 -4.925 7.549 1.00 0.00 N ATOM 348 CA SER A 25 -7.823 -4.253 8.282 1.00 0.00 C ATOM 349 C SER A 25 -8.024 -2.879 7.677 1.00 0.00 C ATOM 350 O SER A 25 -7.119 -2.045 7.694 1.00 0.00 O ATOM 351 CB SER A 25 -7.476 -4.159 9.770 1.00 0.00 C ATOM 352 OG SER A 25 -8.648 -4.077 10.562 1.00 0.00 O ATOM 0 H SER A 25 -5.847 -4.643 7.801 1.00 0.00 H new ATOM 0 HA SER A 25 -8.750 -4.822 8.213 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.893 -5.031 10.067 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.852 -3.283 9.947 1.00 0.00 H new ATOM 0 HG SER A 25 -8.400 -4.020 11.508 1.00 0.00 H new ATOM 358 N VAL A 26 -9.192 -2.663 7.101 1.00 0.00 N ATOM 359 CA VAL A 26 -9.478 -1.402 6.445 1.00 0.00 C ATOM 360 C VAL A 26 -10.307 -0.484 7.335 1.00 0.00 C ATOM 361 O VAL A 26 -10.952 -0.936 8.278 1.00 0.00 O ATOM 362 CB VAL A 26 -10.213 -1.628 5.110 1.00 0.00 C ATOM 363 CG1 VAL A 26 -11.563 -2.293 5.343 1.00 0.00 C ATOM 364 CG2 VAL A 26 -10.376 -0.320 4.360 1.00 0.00 C ATOM 0 H VAL A 26 -9.954 -3.341 7.074 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.520 -0.921 6.247 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.609 -2.297 4.497 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.065 -2.443 4.387 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.415 -3.257 5.830 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.178 -1.656 5.979 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.897 -0.502 3.420 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.954 0.378 4.966 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.394 0.106 4.154 1.00 0.00 H new ATOM 374 N THR A 27 -10.240 0.815 7.044 1.00 0.00 N ATOM 375 CA THR A 27 -10.938 1.834 7.829 1.00 0.00 C ATOM 376 C THR A 27 -10.153 2.118 9.107 1.00 0.00 C ATOM 377 O THR A 27 -10.568 2.917 9.946 1.00 0.00 O ATOM 378 CB THR A 27 -12.374 1.412 8.172 1.00 0.00 C ATOM 379 OG1 THR A 27 -12.400 0.579 9.317 1.00 0.00 O ATOM 380 CG2 THR A 27 -13.080 0.679 7.051 1.00 0.00 C ATOM 0 H THR A 27 -9.703 1.190 6.262 1.00 0.00 H new ATOM 0 HA THR A 27 -11.003 2.739 7.225 1.00 0.00 H new ATOM 0 HB THR A 27 -12.903 2.348 8.354 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.148 -0.334 9.063 1.00 0.00 H new ATOM 0 HG21 THR A 27 -14.089 0.414 7.368 1.00 0.00 H new ATOM 0 HG22 THR A 27 -13.133 1.322 6.173 1.00 0.00 H new ATOM 0 HG23 THR A 27 -12.527 -0.227 6.804 1.00 0.00 H new ATOM 388 N VAL A 28 -9.009 1.448 9.235 1.00 0.00 N ATOM 389 CA VAL A 28 -8.138 1.598 10.382 1.00 0.00 C ATOM 390 C VAL A 28 -7.351 2.900 10.308 1.00 0.00 C ATOM 391 O VAL A 28 -7.229 3.613 11.304 1.00 0.00 O ATOM 392 CB VAL A 28 -7.165 0.416 10.453 1.00 0.00 C ATOM 393 CG1 VAL A 28 -7.935 -0.890 10.498 1.00 0.00 C ATOM 394 CG2 VAL A 28 -6.234 0.431 9.256 1.00 0.00 C ATOM 0 H VAL A 28 -8.666 0.785 8.540 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.758 1.621 11.278 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.569 0.506 11.361 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.235 -1.724 10.548 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.578 -0.903 11.378 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.546 -0.983 9.600 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.548 -0.414 9.318 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.819 0.357 8.339 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.665 1.361 9.249 1.00 0.00 H new ATOM 404 N LEU A 29 -6.844 3.229 9.119 1.00 0.00 N ATOM 405 CA LEU A 29 -6.114 4.459 8.936 1.00 0.00 C ATOM 406 C LEU A 29 -6.938 5.378 8.078 1.00 0.00 C ATOM 407 O LEU A 29 -6.689 6.580 7.979 1.00 0.00 O ATOM 408 CB LEU A 29 -4.744 4.210 8.306 1.00 0.00 C ATOM 409 CG LEU A 29 -3.913 3.102 8.957 1.00 0.00 C ATOM 410 CD1 LEU A 29 -2.436 3.299 8.650 1.00 0.00 C ATOM 411 CD2 LEU A 29 -4.136 3.067 10.465 1.00 0.00 C ATOM 0 H LEU A 29 -6.931 2.656 8.279 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.935 4.918 9.908 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.886 3.963 7.254 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.173 5.138 8.341 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.237 2.148 8.541 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.858 2.503 9.120 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.282 3.272 7.571 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.109 4.263 9.039 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.534 2.271 10.903 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.844 4.024 10.898 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.190 2.881 10.673 1.00 0.00 H new ATOM 423 N PHE A 30 -7.938 4.778 7.472 1.00 0.00 N ATOM 424 CA PHE A 30 -8.853 5.475 6.621 1.00 0.00 C ATOM 425 C PHE A 30 -10.282 5.252 7.107 1.00 0.00 C ATOM 426 O PHE A 30 -10.498 4.769 8.218 1.00 0.00 O ATOM 427 CB PHE A 30 -8.698 4.961 5.199 1.00 0.00 C ATOM 428 CG PHE A 30 -8.897 5.905 4.188 1.00 0.00 C ATOM 429 CD1 PHE A 30 -9.250 7.211 4.379 1.00 0.00 C ATOM 430 CD2 PHE A 30 -8.630 5.436 2.997 1.00 0.00 C ATOM 431 CE1 PHE A 30 -9.320 8.027 3.298 1.00 0.00 C ATOM 432 CE2 PHE A 30 -8.695 6.179 1.953 1.00 0.00 C ATOM 433 CZ PHE A 30 -9.037 7.503 2.055 1.00 0.00 C ATOM 0 H PHE A 30 -8.134 3.781 7.563 1.00 0.00 H new ATOM 0 HA PHE A 30 -8.638 6.543 6.645 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.697 4.545 5.090 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -9.402 4.142 5.050 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.468 7.585 5.368 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.348 4.399 2.890 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.592 9.066 3.409 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -8.478 5.757 0.983 1.00 0.00 H new ATOM 0 HZ PHE A 30 -9.084 8.126 1.174 1.00 0.00 H new ATOM 443 N ASP A 31 -11.254 5.581 6.267 1.00 0.00 N ATOM 444 CA ASP A 31 -12.655 5.390 6.613 1.00 0.00 C ATOM 445 C ASP A 31 -13.198 4.142 5.924 1.00 0.00 C ATOM 446 O ASP A 31 -14.176 3.544 6.375 1.00 0.00 O ATOM 447 CB ASP A 31 -13.479 6.616 6.213 1.00 0.00 C ATOM 448 CG ASP A 31 -13.698 7.568 7.373 1.00 0.00 C ATOM 449 OD1 ASP A 31 -12.703 7.949 8.025 1.00 0.00 O ATOM 450 OD2 ASP A 31 -14.864 7.932 7.629 1.00 0.00 O ATOM 0 H ASP A 31 -11.098 5.981 5.342 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.732 5.260 7.692 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.972 7.143 5.404 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.445 6.291 5.826 1.00 0.00 H new ATOM 455 N LYS A 32 -12.550 3.753 4.827 1.00 0.00 N ATOM 456 CA LYS A 32 -12.952 2.576 4.068 1.00 0.00 C ATOM 457 C LYS A 32 -11.866 2.177 3.069 1.00 0.00 C ATOM 458 O LYS A 32 -12.169 1.778 1.944 1.00 0.00 O ATOM 459 CB LYS A 32 -14.281 2.815 3.325 1.00 0.00 C ATOM 460 CG LYS A 32 -14.677 4.279 3.175 1.00 0.00 C ATOM 461 CD LYS A 32 -13.780 5.003 2.186 1.00 0.00 C ATOM 462 CE LYS A 32 -12.723 5.834 2.894 1.00 0.00 C ATOM 463 NZ LYS A 32 -12.730 7.253 2.441 1.00 0.00 N ATOM 0 H LYS A 32 -11.740 4.241 4.445 1.00 0.00 H new ATOM 0 HA LYS A 32 -13.096 1.763 4.780 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -14.211 2.369 2.333 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -15.076 2.291 3.855 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -15.713 4.344 2.842 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -14.622 4.772 4.145 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.296 4.276 1.534 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.385 5.649 1.550 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.894 5.797 3.970 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.740 5.401 2.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.758 7.553 2.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.319 7.342 1.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.117 7.856 3.195 1.00 0.00 H new ATOM 477 N GLY A 33 -10.597 2.287 3.475 1.00 0.00 N ATOM 478 CA GLY A 33 -9.510 1.930 2.574 1.00 0.00 C ATOM 479 C GLY A 33 -9.687 2.595 1.211 1.00 0.00 C ATOM 480 O GLY A 33 -9.433 3.785 1.060 1.00 0.00 O ATOM 0 H GLY A 33 -10.307 2.612 4.397 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.558 2.233 3.009 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.475 0.847 2.452 1.00 0.00 H new ATOM 484 N GLY A 34 -10.153 1.827 0.223 1.00 0.00 N ATOM 485 CA GLY A 34 -10.375 2.375 -1.111 1.00 0.00 C ATOM 486 C GLY A 34 -11.291 3.584 -1.086 1.00 0.00 C ATOM 487 O GLY A 34 -12.049 3.753 -0.135 1.00 0.00 O ATOM 0 H GLY A 34 -10.380 0.838 0.322 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.418 2.655 -1.551 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.808 1.606 -1.751 1.00 0.00 H new ATOM 491 N VAL A 35 -11.195 4.443 -2.113 1.00 0.00 N ATOM 492 CA VAL A 35 -11.982 5.662 -2.203 1.00 0.00 C ATOM 493 C VAL A 35 -11.220 6.597 -3.109 1.00 0.00 C ATOM 494 O VAL A 35 -10.291 6.167 -3.786 1.00 0.00 O ATOM 495 CB VAL A 35 -12.138 6.303 -0.808 1.00 0.00 C ATOM 496 CG1 VAL A 35 -10.764 6.537 -0.180 1.00 0.00 C ATOM 497 CG2 VAL A 35 -13.005 7.559 -0.816 1.00 0.00 C ATOM 0 H VAL A 35 -10.564 4.302 -2.902 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.980 5.454 -2.589 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.682 5.597 -0.180 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.886 6.990 0.804 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.243 5.585 -0.079 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.182 7.204 -0.816 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.074 7.960 0.195 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -12.558 8.306 -1.472 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.003 7.310 -1.177 1.00 0.00 H new ATOM 507 N ASN A 36 -11.533 7.866 -3.068 1.00 0.00 N ATOM 508 CA ASN A 36 -10.797 8.834 -3.819 1.00 0.00 C ATOM 509 C ASN A 36 -10.809 10.045 -2.948 1.00 0.00 C ATOM 510 O ASN A 36 -10.803 11.184 -3.411 1.00 0.00 O ATOM 511 CB ASN A 36 -11.430 9.116 -5.182 1.00 0.00 C ATOM 512 CG ASN A 36 -10.742 10.239 -5.934 1.00 0.00 C ATOM 513 OD1 ASN A 36 -9.699 10.037 -6.554 1.00 0.00 O ATOM 514 ND2 ASN A 36 -11.330 11.429 -5.890 1.00 0.00 N ATOM 0 H ASN A 36 -12.300 8.250 -2.516 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.789 8.491 -4.053 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -11.398 8.209 -5.786 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -12.481 9.370 -5.043 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -10.917 12.221 -6.383 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -12.195 11.551 -5.363 1.00 0.00 H new ATOM 521 N THR A 37 -10.925 9.735 -1.650 1.00 0.00 N ATOM 522 CA THR A 37 -11.053 10.714 -0.608 1.00 0.00 C ATOM 523 C THR A 37 -10.807 12.147 -1.092 1.00 0.00 C ATOM 524 O THR A 37 -11.655 13.021 -0.913 1.00 0.00 O ATOM 525 CB THR A 37 -10.136 10.386 0.569 1.00 0.00 C ATOM 526 OG1 THR A 37 -10.258 11.365 1.586 1.00 0.00 O ATOM 527 CG2 THR A 37 -8.674 10.302 0.186 1.00 0.00 C ATOM 0 H THR A 37 -10.931 8.774 -1.308 1.00 0.00 H new ATOM 0 HA THR A 37 -12.090 10.667 -0.277 1.00 0.00 H new ATOM 0 HB THR A 37 -10.458 9.406 0.921 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.665 11.137 2.332 1.00 0.00 H new ATOM 0 HG21 THR A 37 -8.080 10.066 1.069 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.538 9.521 -0.562 1.00 0.00 H new ATOM 0 HG23 THR A 37 -8.350 11.258 -0.225 1.00 0.00 H new ATOM 535 N SER A 38 -9.649 12.380 -1.713 1.00 0.00 N ATOM 536 CA SER A 38 -9.317 13.710 -2.221 1.00 0.00 C ATOM 537 C SER A 38 -8.135 13.675 -3.186 1.00 0.00 C ATOM 538 O SER A 38 -7.033 14.113 -2.858 1.00 0.00 O ATOM 539 CB SER A 38 -8.996 14.656 -1.075 1.00 0.00 C ATOM 540 OG SER A 38 -10.026 14.663 -0.102 1.00 0.00 O ATOM 0 H SER A 38 -8.933 11.672 -1.875 1.00 0.00 H new ATOM 0 HA SER A 38 -10.193 14.068 -2.762 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.056 14.359 -0.609 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.854 15.665 -1.463 1.00 0.00 H new ATOM 0 HG SER A 38 -10.883 14.459 -0.531 1.00 0.00 H new ATOM 546 N VAL A 39 -8.379 13.157 -4.377 1.00 0.00 N ATOM 547 CA VAL A 39 -7.354 13.066 -5.406 1.00 0.00 C ATOM 548 C VAL A 39 -8.006 12.810 -6.774 1.00 0.00 C ATOM 549 O VAL A 39 -9.177 13.134 -6.967 1.00 0.00 O ATOM 550 CB VAL A 39 -6.340 11.960 -5.048 1.00 0.00 C ATOM 551 CG1 VAL A 39 -6.956 10.594 -5.235 1.00 0.00 C ATOM 552 CG2 VAL A 39 -5.045 12.109 -5.838 1.00 0.00 C ATOM 0 H VAL A 39 -9.288 12.789 -4.659 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.812 14.010 -5.462 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.080 12.068 -3.995 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.225 9.827 -4.978 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.828 10.496 -4.588 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.260 10.471 -6.275 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.355 11.313 -5.559 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.260 12.046 -6.905 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.592 13.075 -5.616 1.00 0.00 H new ATOM 562 N ARG A 40 -7.260 12.245 -7.724 1.00 0.00 N ATOM 563 CA ARG A 40 -7.801 11.981 -9.055 1.00 0.00 C ATOM 564 C ARG A 40 -7.529 10.544 -9.495 1.00 0.00 C ATOM 565 O ARG A 40 -7.468 10.255 -10.690 1.00 0.00 O ATOM 566 CB ARG A 40 -7.195 12.952 -10.067 1.00 0.00 C ATOM 567 CG ARG A 40 -7.991 13.064 -11.357 1.00 0.00 C ATOM 568 CD ARG A 40 -9.414 13.531 -11.095 1.00 0.00 C ATOM 569 NE ARG A 40 -9.895 14.431 -12.140 1.00 0.00 N ATOM 570 CZ ARG A 40 -10.982 15.192 -12.021 1.00 0.00 C ATOM 571 NH1 ARG A 40 -11.702 15.162 -10.906 1.00 0.00 N ATOM 572 NH2 ARG A 40 -11.350 15.983 -13.019 1.00 0.00 N ATOM 0 H ARG A 40 -6.288 11.964 -7.597 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.881 12.123 -9.010 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.119 13.939 -9.610 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.180 12.631 -10.303 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.496 13.763 -12.032 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.011 12.096 -11.859 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.073 12.666 -11.030 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.458 14.038 -10.131 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.368 14.480 -13.012 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.424 14.554 -10.135 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.533 15.747 -10.820 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.801 16.009 -13.878 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.182 16.566 -12.928 1.00 0.00 H new ATOM 586 N HIS A 41 -7.359 9.650 -8.528 1.00 0.00 N ATOM 587 CA HIS A 41 -7.083 8.242 -8.832 1.00 0.00 C ATOM 588 C HIS A 41 -7.767 7.306 -7.855 1.00 0.00 C ATOM 589 O HIS A 41 -7.963 6.124 -8.139 1.00 0.00 O ATOM 590 CB HIS A 41 -5.590 7.972 -8.755 1.00 0.00 C ATOM 591 CG HIS A 41 -4.772 9.058 -9.373 1.00 0.00 C ATOM 592 ND1 HIS A 41 -4.782 9.308 -10.725 1.00 0.00 N ATOM 593 CD2 HIS A 41 -3.943 9.976 -8.824 1.00 0.00 C ATOM 594 CE1 HIS A 41 -3.998 10.332 -10.986 1.00 0.00 C ATOM 595 NE2 HIS A 41 -3.474 10.758 -9.851 1.00 0.00 N ATOM 0 H HIS A 41 -7.406 9.868 -7.533 1.00 0.00 H new ATOM 0 HA HIS A 41 -7.465 8.058 -9.836 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -5.300 7.855 -7.711 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -5.370 7.029 -9.255 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -3.697 10.075 -7.777 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -3.814 10.753 -11.963 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -2.827 11.540 -9.753 1.00 0.00 H new ATOM 604 N GLY A 42 -8.073 7.830 -6.687 1.00 0.00 N ATOM 605 CA GLY A 42 -8.672 7.034 -5.649 1.00 0.00 C ATOM 606 C GLY A 42 -7.855 7.139 -4.387 1.00 0.00 C ATOM 607 O GLY A 42 -7.757 8.210 -3.790 1.00 0.00 O ATOM 0 H GLY A 42 -7.915 8.806 -6.437 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.691 7.372 -5.462 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.734 5.993 -5.967 1.00 0.00 H new ATOM 611 N GLY A 43 -7.201 6.053 -4.021 1.00 0.00 N ATOM 612 CA GLY A 43 -6.324 6.106 -2.867 1.00 0.00 C ATOM 613 C GLY A 43 -6.773 5.376 -1.606 1.00 0.00 C ATOM 614 O GLY A 43 -7.333 5.986 -0.699 1.00 0.00 O ATOM 0 H GLY A 43 -7.256 5.149 -4.490 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.355 5.702 -3.162 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.168 7.154 -2.611 1.00 0.00 H new ATOM 618 N ILE A 44 -6.473 4.081 -1.537 1.00 0.00 N ATOM 619 CA ILE A 44 -6.783 3.256 -0.358 1.00 0.00 C ATOM 620 C ILE A 44 -5.801 3.503 0.775 1.00 0.00 C ATOM 621 O ILE A 44 -4.586 3.438 0.594 1.00 0.00 O ATOM 622 CB ILE A 44 -6.739 1.734 -0.638 1.00 0.00 C ATOM 623 CG1 ILE A 44 -7.190 0.939 0.590 1.00 0.00 C ATOM 624 CG2 ILE A 44 -5.330 1.283 -1.025 1.00 0.00 C ATOM 625 CD1 ILE A 44 -8.166 -0.172 0.268 1.00 0.00 C ATOM 0 H ILE A 44 -6.011 3.570 -2.289 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.796 3.554 -0.088 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.419 1.542 -1.468 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.314 0.511 1.077 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.651 1.621 1.304 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.331 0.210 -1.215 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.013 1.811 -1.924 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.640 1.506 -0.211 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.441 -0.692 1.186 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -9.059 0.250 -0.192 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.701 -0.876 -0.422 1.00 0.00 H new ATOM 637 N TYR A 45 -6.344 3.700 1.953 1.00 0.00 N ATOM 638 CA TYR A 45 -5.532 3.871 3.154 1.00 0.00 C ATOM 639 C TYR A 45 -5.944 2.838 4.178 1.00 0.00 C ATOM 640 O TYR A 45 -7.124 2.516 4.303 1.00 0.00 O ATOM 641 CB TYR A 45 -5.592 5.277 3.715 1.00 0.00 C ATOM 642 CG TYR A 45 -5.104 6.340 2.788 1.00 0.00 C ATOM 643 CD1 TYR A 45 -5.679 6.513 1.548 1.00 0.00 C ATOM 644 CD2 TYR A 45 -4.082 7.189 3.167 1.00 0.00 C ATOM 645 CE1 TYR A 45 -5.252 7.502 0.702 1.00 0.00 C ATOM 646 CE2 TYR A 45 -3.646 8.186 2.331 1.00 0.00 C ATOM 647 CZ TYR A 45 -4.233 8.343 1.094 1.00 0.00 C ATOM 648 OH TYR A 45 -3.801 9.341 0.250 1.00 0.00 O ATOM 0 H TYR A 45 -7.350 3.747 2.115 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.487 3.717 2.883 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.623 5.500 3.991 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.002 5.314 4.631 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.480 5.858 1.238 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -3.620 7.066 4.135 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -5.712 7.622 -0.268 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.847 8.844 2.641 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.078 9.843 0.680 1.00 0.00 H new ATOM 658 N VAL A 46 -4.967 2.219 4.819 1.00 0.00 N ATOM 659 CA VAL A 46 -5.270 1.120 5.698 1.00 0.00 C ATOM 660 C VAL A 46 -4.180 0.779 6.719 1.00 0.00 C ATOM 661 O VAL A 46 -3.154 1.451 6.792 1.00 0.00 O ATOM 662 CB VAL A 46 -5.410 -0.051 4.746 1.00 0.00 C ATOM 663 CG1 VAL A 46 -4.049 -0.596 4.375 1.00 0.00 C ATOM 664 CG2 VAL A 46 -6.367 -1.080 5.298 1.00 0.00 C ATOM 0 H VAL A 46 -3.978 2.458 4.745 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.144 1.364 6.301 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.858 0.285 3.811 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.168 -1.436 3.691 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.464 0.186 3.891 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.533 -0.931 5.275 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.451 -1.911 4.598 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.994 -1.448 6.254 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.347 -0.625 5.441 1.00 0.00 H new ATOM 674 N LYS A 47 -4.375 -0.353 7.429 1.00 0.00 N ATOM 675 CA LYS A 47 -3.352 -0.861 8.358 1.00 0.00 C ATOM 676 C LYS A 47 -2.500 -1.803 7.537 1.00 0.00 C ATOM 677 O LYS A 47 -1.344 -2.096 7.842 1.00 0.00 O ATOM 678 CB LYS A 47 -3.938 -1.602 9.572 1.00 0.00 C ATOM 679 CG LYS A 47 -4.480 -2.990 9.257 1.00 0.00 C ATOM 680 CD LYS A 47 -4.587 -3.843 10.511 1.00 0.00 C ATOM 681 CE LYS A 47 -3.231 -4.032 11.175 1.00 0.00 C ATOM 682 NZ LYS A 47 -3.036 -3.095 12.315 1.00 0.00 N ATOM 0 H LYS A 47 -5.219 -0.923 7.376 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.790 -0.028 8.780 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.166 -1.691 10.336 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.740 -1.000 9.998 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.461 -2.902 8.791 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.827 -3.482 8.536 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.275 -3.373 11.214 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.007 -4.816 10.256 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.140 -5.059 11.529 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.442 -3.878 10.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.098 -2.652 12.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.770 -2.359 12.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.104 -3.619 13.211 1.00 0.00 H new ATOM 696 N ALA A 48 -3.123 -2.206 6.435 1.00 0.00 N ATOM 697 CA ALA A 48 -2.572 -3.022 5.438 1.00 0.00 C ATOM 698 C ALA A 48 -2.629 -4.497 5.797 1.00 0.00 C ATOM 699 O ALA A 48 -3.626 -4.959 6.337 1.00 0.00 O ATOM 700 CB ALA A 48 -1.216 -2.503 5.154 1.00 0.00 C ATOM 0 H ALA A 48 -4.086 -1.937 6.232 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.161 -2.976 4.522 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.748 -3.111 4.380 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.286 -1.471 4.811 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.613 -2.544 6.061 1.00 0.00 H new ATOM 706 N VAL A 49 -1.609 -5.248 5.436 1.00 0.00 N ATOM 707 CA VAL A 49 -1.626 -6.667 5.629 1.00 0.00 C ATOM 708 C VAL A 49 -1.358 -7.191 7.014 1.00 0.00 C ATOM 709 O VAL A 49 -0.457 -6.766 7.738 1.00 0.00 O ATOM 710 CB VAL A 49 -0.646 -7.307 4.691 1.00 0.00 C ATOM 711 CG1 VAL A 49 -1.224 -7.292 3.308 1.00 0.00 C ATOM 712 CG2 VAL A 49 0.692 -6.616 4.754 1.00 0.00 C ATOM 0 H VAL A 49 -0.757 -4.888 5.006 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.664 -6.933 5.432 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.471 -8.342 4.986 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.521 -7.755 2.615 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.161 -7.848 3.299 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.410 -6.262 3.003 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.384 -7.100 4.065 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.574 -5.569 4.475 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.087 -6.679 5.768 1.00 0.00 H new ATOM 722 N ILE A 50 -2.180 -8.186 7.310 1.00 0.00 N ATOM 723 CA ILE A 50 -2.153 -8.937 8.547 1.00 0.00 C ATOM 724 C ILE A 50 -0.716 -9.286 8.939 1.00 0.00 C ATOM 725 O ILE A 50 0.192 -9.220 8.112 1.00 0.00 O ATOM 726 CB ILE A 50 -2.988 -10.236 8.364 1.00 0.00 C ATOM 727 CG1 ILE A 50 -4.171 -10.252 9.333 1.00 0.00 C ATOM 728 CG2 ILE A 50 -2.133 -11.481 8.545 1.00 0.00 C ATOM 729 CD1 ILE A 50 -5.370 -11.014 8.812 1.00 0.00 C ATOM 0 H ILE A 50 -2.909 -8.501 6.670 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.581 -8.330 9.345 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.370 -10.244 7.343 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.851 -10.695 10.276 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.468 -9.225 9.547 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.750 -12.369 8.410 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.330 -11.481 7.808 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.705 -11.486 9.547 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -6.170 -10.983 9.552 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.716 -10.558 7.884 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.089 -12.050 8.625 1.00 0.00 H new ATOM 741 N PRO A 51 -0.487 -9.656 10.210 1.00 0.00 N ATOM 742 CA PRO A 51 0.843 -10.003 10.695 1.00 0.00 C ATOM 743 C PRO A 51 1.257 -11.416 10.343 1.00 0.00 C ATOM 744 O PRO A 51 2.440 -11.730 10.206 1.00 0.00 O ATOM 745 CB PRO A 51 0.733 -9.837 12.219 1.00 0.00 C ATOM 746 CG PRO A 51 -0.673 -9.388 12.491 1.00 0.00 C ATOM 747 CD PRO A 51 -1.482 -9.749 11.277 1.00 0.00 C ATOM 0 HA PRO A 51 1.606 -9.373 10.237 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.947 -10.776 12.729 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.453 -9.104 12.584 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.070 -9.877 13.381 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.708 -8.314 12.675 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.907 -10.750 11.353 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -2.313 -9.061 11.121 1.00 0.00 H new ATOM 755 N GLN A 52 0.267 -12.249 10.223 1.00 0.00 N ATOM 756 CA GLN A 52 0.461 -13.659 9.907 1.00 0.00 C ATOM 757 C GLN A 52 0.405 -13.936 8.406 1.00 0.00 C ATOM 758 O GLN A 52 0.139 -15.063 7.989 1.00 0.00 O ATOM 759 CB GLN A 52 -0.579 -14.513 10.632 1.00 0.00 C ATOM 760 CG GLN A 52 -2.013 -14.177 10.255 1.00 0.00 C ATOM 761 CD GLN A 52 -2.981 -15.294 10.588 1.00 0.00 C ATOM 762 OE1 GLN A 52 -3.046 -15.757 11.727 1.00 0.00 O ATOM 763 NE2 GLN A 52 -3.741 -15.735 9.591 1.00 0.00 N ATOM 0 H GLN A 52 -0.710 -11.981 10.340 1.00 0.00 H new ATOM 0 HA GLN A 52 1.461 -13.926 10.250 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.391 -15.564 10.412 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.456 -14.386 11.707 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.318 -13.270 10.776 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.063 -13.964 9.187 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.654 -15.322 8.662 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.411 -16.486 9.754 1.00 0.00 H new ATOM 772 N GLY A 53 0.683 -12.922 7.596 1.00 0.00 N ATOM 773 CA GLY A 53 0.682 -13.113 6.155 1.00 0.00 C ATOM 774 C GLY A 53 -0.602 -12.674 5.470 1.00 0.00 C ATOM 775 O GLY A 53 -0.845 -11.483 5.283 1.00 0.00 O ATOM 0 H GLY A 53 0.908 -11.977 7.906 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.517 -12.560 5.726 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.854 -14.168 5.939 1.00 0.00 H new ATOM 779 N ALA A 54 -1.427 -13.647 5.096 1.00 0.00 N ATOM 780 CA ALA A 54 -2.685 -13.389 4.427 1.00 0.00 C ATOM 781 C ALA A 54 -2.531 -12.374 3.281 1.00 0.00 C ATOM 782 O ALA A 54 -1.842 -12.667 2.305 1.00 0.00 O ATOM 783 CB ALA A 54 -3.695 -12.985 5.461 1.00 0.00 C ATOM 0 H ALA A 54 -1.236 -14.637 5.251 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.042 -14.295 3.937 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.651 -12.786 4.977 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.816 -13.790 6.186 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.353 -12.085 5.972 1.00 0.00 H new ATOM 789 N ALA A 55 -3.143 -11.184 3.377 1.00 0.00 N ATOM 790 CA ALA A 55 -3.006 -10.187 2.315 1.00 0.00 C ATOM 791 C ALA A 55 -1.542 -9.935 2.080 1.00 0.00 C ATOM 792 O ALA A 55 -1.091 -9.717 0.963 1.00 0.00 O ATOM 793 CB ALA A 55 -3.746 -8.909 2.639 1.00 0.00 C ATOM 0 H ALA A 55 -3.725 -10.896 4.164 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.460 -10.573 1.402 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.617 -8.197 1.824 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.807 -9.125 2.768 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.349 -8.482 3.560 1.00 0.00 H new ATOM 799 N GLU A 56 -0.812 -9.998 3.169 1.00 0.00 N ATOM 800 CA GLU A 56 0.632 -9.818 3.146 1.00 0.00 C ATOM 801 C GLU A 56 1.220 -10.829 2.160 1.00 0.00 C ATOM 802 O GLU A 56 2.202 -10.561 1.468 1.00 0.00 O ATOM 803 CB GLU A 56 1.198 -10.012 4.550 1.00 0.00 C ATOM 804 CG GLU A 56 2.565 -9.379 4.756 1.00 0.00 C ATOM 805 CD GLU A 56 2.674 -8.640 6.075 1.00 0.00 C ATOM 806 OE1 GLU A 56 2.473 -9.277 7.131 1.00 0.00 O ATOM 807 OE2 GLU A 56 2.963 -7.425 6.054 1.00 0.00 O ATOM 0 H GLU A 56 -1.196 -10.175 4.097 1.00 0.00 H new ATOM 0 HA GLU A 56 0.894 -8.810 2.824 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.500 -9.590 5.274 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.268 -11.080 4.759 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.330 -10.154 4.714 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.767 -8.687 3.939 1.00 0.00 H new ATOM 814 N SER A 57 0.534 -11.964 2.065 1.00 0.00 N ATOM 815 CA SER A 57 0.866 -13.025 1.131 1.00 0.00 C ATOM 816 C SER A 57 0.341 -12.584 -0.213 1.00 0.00 C ATOM 817 O SER A 57 1.034 -12.663 -1.228 1.00 0.00 O ATOM 818 CB SER A 57 0.229 -14.352 1.553 1.00 0.00 C ATOM 819 OG SER A 57 0.922 -15.452 0.992 1.00 0.00 O ATOM 0 H SER A 57 -0.279 -12.172 2.645 1.00 0.00 H new ATOM 0 HA SER A 57 1.942 -13.195 1.101 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.234 -14.432 2.640 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.814 -14.375 1.236 1.00 0.00 H new ATOM 0 HG SER A 57 0.496 -16.287 1.278 1.00 0.00 H new ATOM 825 N ASP A 58 -0.867 -12.001 -0.186 1.00 0.00 N ATOM 826 CA ASP A 58 -1.445 -11.420 -1.376 1.00 0.00 C ATOM 827 C ASP A 58 -0.485 -10.342 -1.831 1.00 0.00 C ATOM 828 O ASP A 58 -0.469 -9.942 -2.995 1.00 0.00 O ATOM 829 CB ASP A 58 -2.826 -10.827 -1.077 1.00 0.00 C ATOM 830 CG ASP A 58 -3.349 -9.949 -2.193 1.00 0.00 C ATOM 831 OD1 ASP A 58 -2.992 -10.194 -3.364 1.00 0.00 O ATOM 832 OD2 ASP A 58 -4.118 -9.015 -1.891 1.00 0.00 O ATOM 0 H ASP A 58 -1.449 -11.927 0.649 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.589 -12.173 -2.151 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.532 -11.638 -0.899 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.773 -10.243 -0.158 1.00 0.00 H new ATOM 837 N GLY A 59 0.314 -9.867 -0.869 1.00 0.00 N ATOM 838 CA GLY A 59 1.266 -8.824 -1.164 1.00 0.00 C ATOM 839 C GLY A 59 0.562 -7.519 -1.353 1.00 0.00 C ATOM 840 O GLY A 59 0.748 -6.851 -2.360 1.00 0.00 O ATOM 0 H GLY A 59 0.312 -10.189 0.099 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.989 -8.741 -0.352 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.826 -9.077 -2.064 1.00 0.00 H new ATOM 844 N ARG A 60 -0.247 -7.167 -0.364 1.00 0.00 N ATOM 845 CA ARG A 60 -1.011 -5.933 -0.385 1.00 0.00 C ATOM 846 C ARG A 60 -0.553 -5.086 0.774 1.00 0.00 C ATOM 847 O ARG A 60 -1.325 -4.723 1.661 1.00 0.00 O ATOM 848 CB ARG A 60 -2.514 -6.252 -0.300 1.00 0.00 C ATOM 849 CG ARG A 60 -3.417 -5.061 0.020 1.00 0.00 C ATOM 850 CD ARG A 60 -3.006 -3.798 -0.725 1.00 0.00 C ATOM 851 NE ARG A 60 -3.153 -2.607 0.108 1.00 0.00 N ATOM 852 CZ ARG A 60 -2.798 -1.383 -0.276 1.00 0.00 C ATOM 853 NH1 ARG A 60 -2.282 -1.183 -1.482 1.00 0.00 N ATOM 854 NH2 ARG A 60 -2.960 -0.357 0.547 1.00 0.00 N ATOM 0 H ARG A 60 -0.391 -7.730 0.474 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.849 -5.385 -1.313 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.832 -6.683 -1.250 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.664 -7.016 0.463 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.446 -5.311 -0.237 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.393 -4.870 1.093 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.970 -3.889 -1.051 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -3.614 -3.691 -1.623 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.552 -2.720 1.040 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.156 -1.969 -2.120 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.012 -0.243 -1.772 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.357 -0.505 1.475 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.688 0.581 0.253 1.00 0.00 H new ATOM 868 N ILE A 61 0.742 -4.836 0.788 1.00 0.00 N ATOM 869 CA ILE A 61 1.366 -4.129 1.818 1.00 0.00 C ATOM 870 C ILE A 61 1.435 -2.646 1.604 1.00 0.00 C ATOM 871 O ILE A 61 1.701 -2.159 0.507 1.00 0.00 O ATOM 872 CB ILE A 61 2.775 -4.635 2.001 1.00 0.00 C ATOM 873 CG1 ILE A 61 3.417 -5.132 0.693 1.00 0.00 C ATOM 874 CG2 ILE A 61 2.772 -5.735 3.032 1.00 0.00 C ATOM 875 CD1 ILE A 61 3.420 -4.111 -0.425 1.00 0.00 C ATOM 0 H ILE A 61 1.379 -5.139 0.051 1.00 0.00 H new ATOM 0 HA ILE A 61 0.747 -4.300 2.699 1.00 0.00 H new ATOM 0 HB ILE A 61 3.383 -3.795 2.337 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.444 -5.433 0.897 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.885 -6.022 0.356 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.787 -6.107 3.170 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.396 -5.346 3.978 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.131 -6.549 2.694 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.890 -4.541 -1.309 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.395 -3.827 -0.661 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.978 -3.229 -0.111 1.00 0.00 H new ATOM 887 N HIS A 62 1.245 -1.964 2.714 1.00 0.00 N ATOM 888 CA HIS A 62 1.316 -0.527 2.816 1.00 0.00 C ATOM 889 C HIS A 62 0.088 0.002 3.533 1.00 0.00 C ATOM 890 O HIS A 62 -1.011 0.029 2.980 1.00 0.00 O ATOM 891 CB HIS A 62 1.482 0.188 1.477 1.00 0.00 C ATOM 892 CG HIS A 62 2.919 0.371 1.090 1.00 0.00 C ATOM 893 ND1 HIS A 62 3.510 1.609 0.959 1.00 0.00 N ATOM 894 CD2 HIS A 62 3.890 -0.535 0.824 1.00 0.00 C ATOM 895 CE1 HIS A 62 4.780 1.458 0.627 1.00 0.00 C ATOM 896 NE2 HIS A 62 5.034 0.166 0.539 1.00 0.00 N ATOM 0 H HIS A 62 1.029 -2.416 3.603 1.00 0.00 H new ATOM 0 HA HIS A 62 2.219 -0.311 3.388 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.971 -0.381 0.701 1.00 0.00 H new ATOM 0 HB3 HIS A 62 0.997 1.163 1.528 1.00 0.00 H new ATOM 0 HD1 HIS A 62 3.040 2.504 1.097 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.783 -1.610 0.834 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.489 2.255 0.457 1.00 0.00 H new ATOM 905 N LYS A 63 0.290 0.423 4.764 1.00 0.00 N ATOM 906 CA LYS A 63 -0.790 0.960 5.576 1.00 0.00 C ATOM 907 C LYS A 63 -1.006 2.416 5.232 1.00 0.00 C ATOM 908 O LYS A 63 -0.152 3.254 5.524 1.00 0.00 O ATOM 909 CB LYS A 63 -0.463 0.820 7.063 1.00 0.00 C ATOM 910 CG LYS A 63 0.950 1.251 7.421 1.00 0.00 C ATOM 911 CD LYS A 63 1.042 1.711 8.867 1.00 0.00 C ATOM 912 CE LYS A 63 1.592 0.616 9.767 1.00 0.00 C ATOM 913 NZ LYS A 63 0.935 0.613 11.103 1.00 0.00 N ATOM 0 H LYS A 63 1.197 0.405 5.230 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.700 0.398 5.367 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.172 1.415 7.639 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.603 -0.219 7.360 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.637 0.421 7.258 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.264 2.059 6.760 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.682 2.591 8.930 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.054 2.010 9.218 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.448 -0.353 9.289 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.666 0.753 9.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.338 -0.148 11.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.094 1.529 11.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.087 0.456 10.987 1.00 0.00 H new ATOM 927 N GLY A 64 -2.126 2.731 4.594 1.00 0.00 N ATOM 928 CA GLY A 64 -2.343 4.119 4.231 1.00 0.00 C ATOM 929 C GLY A 64 -1.541 4.488 3.015 1.00 0.00 C ATOM 930 O GLY A 64 -0.330 4.673 3.088 1.00 0.00 O ATOM 0 H GLY A 64 -2.864 2.078 4.329 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.402 4.287 4.037 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.065 4.764 5.064 1.00 0.00 H new ATOM 934 N ASP A 65 -2.221 4.565 1.890 1.00 0.00 N ATOM 935 CA ASP A 65 -1.571 4.884 0.620 1.00 0.00 C ATOM 936 C ASP A 65 -2.608 5.218 -0.437 1.00 0.00 C ATOM 937 O ASP A 65 -3.784 5.364 -0.108 1.00 0.00 O ATOM 938 CB ASP A 65 -0.735 3.694 0.177 1.00 0.00 C ATOM 939 CG ASP A 65 0.743 4.017 0.098 1.00 0.00 C ATOM 940 OD1 ASP A 65 1.095 5.047 -0.515 1.00 0.00 O ATOM 941 OD2 ASP A 65 1.550 3.239 0.648 1.00 0.00 O ATOM 0 H ASP A 65 -3.227 4.412 1.821 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.927 5.754 0.753 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.886 2.869 0.873 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.082 3.355 -0.799 1.00 0.00 H new ATOM 946 N ARG A 66 -2.209 5.353 -1.711 1.00 0.00 N ATOM 947 CA ARG A 66 -3.215 5.669 -2.716 1.00 0.00 C ATOM 948 C ARG A 66 -3.210 4.778 -3.972 1.00 0.00 C ATOM 949 O ARG A 66 -2.354 4.896 -4.839 1.00 0.00 O ATOM 950 CB ARG A 66 -3.075 7.132 -3.143 1.00 0.00 C ATOM 951 CG ARG A 66 -2.844 8.088 -1.983 1.00 0.00 C ATOM 952 CD ARG A 66 -1.402 8.572 -1.932 1.00 0.00 C ATOM 953 NE ARG A 66 -1.109 9.537 -2.991 1.00 0.00 N ATOM 954 CZ ARG A 66 -0.499 9.230 -4.136 1.00 0.00 C ATOM 955 NH1 ARG A 66 -0.110 7.985 -4.385 1.00 0.00 N ATOM 956 NH2 ARG A 66 -0.274 10.177 -5.037 1.00 0.00 N ATOM 0 H ARG A 66 -1.252 5.254 -2.050 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.168 5.474 -2.225 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -2.245 7.219 -3.844 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.976 7.433 -3.677 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.512 8.944 -2.078 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.094 7.591 -1.046 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.207 9.029 -0.962 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.730 7.719 -2.023 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.389 10.507 -2.844 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.277 7.251 -3.697 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.356 7.763 -5.265 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.567 11.136 -4.853 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.192 9.946 -5.914 1.00 0.00 H new ATOM 970 N VAL A 67 -4.230 3.928 -4.055 1.00 0.00 N ATOM 971 CA VAL A 67 -4.493 3.037 -5.120 1.00 0.00 C ATOM 972 C VAL A 67 -5.113 3.624 -6.343 1.00 0.00 C ATOM 973 O VAL A 67 -6.032 4.442 -6.289 1.00 0.00 O ATOM 974 CB VAL A 67 -5.417 1.924 -4.688 1.00 0.00 C ATOM 975 CG1 VAL A 67 -4.563 0.780 -4.407 1.00 0.00 C ATOM 976 CG2 VAL A 67 -6.271 2.274 -3.508 1.00 0.00 C ATOM 0 H VAL A 67 -4.928 3.859 -3.315 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.491 2.696 -5.382 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.135 1.713 -5.481 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.177 -0.062 -4.088 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.012 0.507 -5.307 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.859 1.037 -3.615 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.908 1.426 -3.256 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.634 2.515 -2.657 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.893 3.135 -3.752 1.00 0.00 H new ATOM 986 N LEU A 68 -4.649 3.098 -7.449 1.00 0.00 N ATOM 987 CA LEU A 68 -5.202 3.453 -8.723 1.00 0.00 C ATOM 988 C LEU A 68 -6.426 2.564 -8.948 1.00 0.00 C ATOM 989 O LEU A 68 -7.512 3.055 -9.257 1.00 0.00 O ATOM 990 CB LEU A 68 -4.156 3.296 -9.843 1.00 0.00 C ATOM 991 CG LEU A 68 -4.304 2.067 -10.751 1.00 0.00 C ATOM 992 CD1 LEU A 68 -5.464 2.250 -11.718 1.00 0.00 C ATOM 993 CD2 LEU A 68 -3.010 1.816 -11.515 1.00 0.00 C ATOM 0 H LEU A 68 -3.887 2.421 -7.488 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.500 4.501 -8.739 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.189 4.188 -10.468 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.168 3.265 -9.385 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.514 1.200 -10.125 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.552 1.368 -12.352 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.388 2.386 -11.156 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.285 3.127 -12.339 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.129 0.942 -12.155 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.775 2.686 -12.129 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.199 1.641 -10.809 1.00 0.00 H new ATOM 1005 N ALA A 69 -6.252 1.247 -8.742 1.00 0.00 N ATOM 1006 CA ALA A 69 -7.348 0.300 -8.871 1.00 0.00 C ATOM 1007 C ALA A 69 -7.339 -0.637 -7.683 1.00 0.00 C ATOM 1008 O ALA A 69 -6.283 -0.896 -7.134 1.00 0.00 O ATOM 1009 CB ALA A 69 -7.239 -0.478 -10.174 1.00 0.00 C ATOM 0 H ALA A 69 -5.359 0.825 -8.486 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.292 0.844 -8.891 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.069 -1.180 -10.249 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.272 0.214 -11.015 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.297 -1.026 -10.193 1.00 0.00 H new ATOM 1015 N VAL A 70 -8.490 -1.163 -7.318 1.00 0.00 N ATOM 1016 CA VAL A 70 -8.589 -2.105 -6.222 1.00 0.00 C ATOM 1017 C VAL A 70 -9.226 -3.384 -6.728 1.00 0.00 C ATOM 1018 O VAL A 70 -10.105 -3.349 -7.585 1.00 0.00 O ATOM 1019 CB VAL A 70 -9.399 -1.544 -5.058 1.00 0.00 C ATOM 1020 CG1 VAL A 70 -10.814 -1.336 -5.517 1.00 0.00 C ATOM 1021 CG2 VAL A 70 -9.342 -2.475 -3.857 1.00 0.00 C ATOM 0 H VAL A 70 -9.379 -0.951 -7.770 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.584 -2.303 -5.850 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.976 -0.590 -4.742 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -11.408 -0.935 -4.696 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.827 -0.634 -6.351 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -11.236 -2.288 -5.838 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -9.927 -2.052 -3.041 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -9.751 -3.448 -4.131 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.307 -2.594 -3.537 1.00 0.00 H new ATOM 1031 N ASN A 71 -8.764 -4.502 -6.211 1.00 0.00 N ATOM 1032 CA ASN A 71 -9.249 -5.817 -6.620 1.00 0.00 C ATOM 1033 C ASN A 71 -9.422 -5.895 -8.133 1.00 0.00 C ATOM 1034 O ASN A 71 -10.146 -6.750 -8.641 1.00 0.00 O ATOM 1035 CB ASN A 71 -10.574 -6.108 -5.967 1.00 0.00 C ATOM 1036 CG ASN A 71 -10.888 -7.593 -5.912 1.00 0.00 C ATOM 1037 OD1 ASN A 71 -11.410 -8.047 -4.779 1.00 0.00 O flip ATOM 1038 ND2 ASN A 71 -10.663 -8.324 -6.877 1.00 0.00 N flip ATOM 0 H ASN A 71 -8.040 -4.533 -5.493 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.508 -6.553 -6.308 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.572 -5.704 -4.955 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -11.364 -5.594 -6.514 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -10.261 -7.934 -7.729 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.879 -9.319 -6.824 1.00 0.00 H new ATOM 1045 N GLY A 72 -8.767 -4.992 -8.846 1.00 0.00 N ATOM 1046 CA GLY A 72 -8.889 -4.986 -10.294 1.00 0.00 C ATOM 1047 C GLY A 72 -9.775 -3.868 -10.804 1.00 0.00 C ATOM 1048 O GLY A 72 -9.617 -3.422 -11.940 1.00 0.00 O ATOM 0 H GLY A 72 -8.160 -4.271 -8.457 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.898 -4.889 -10.737 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.293 -5.943 -10.624 1.00 0.00 H new ATOM 1052 N VAL A 73 -10.687 -3.384 -9.964 1.00 0.00 N ATOM 1053 CA VAL A 73 -11.548 -2.286 -10.363 1.00 0.00 C ATOM 1054 C VAL A 73 -10.826 -0.995 -10.064 1.00 0.00 C ATOM 1055 O VAL A 73 -10.143 -0.895 -9.060 1.00 0.00 O ATOM 1056 CB VAL A 73 -12.940 -2.285 -9.652 1.00 0.00 C ATOM 1057 CG1 VAL A 73 -13.748 -1.044 -10.025 1.00 0.00 C ATOM 1058 CG2 VAL A 73 -13.710 -3.552 -9.998 1.00 0.00 C ATOM 0 H VAL A 73 -10.844 -3.732 -9.018 1.00 0.00 H new ATOM 0 HA VAL A 73 -11.756 -2.400 -11.427 1.00 0.00 H new ATOM 0 HB VAL A 73 -12.772 -2.262 -8.575 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -14.711 -1.070 -9.516 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.202 -0.150 -9.723 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -13.908 -1.024 -11.103 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -14.678 -3.538 -9.496 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -13.861 -3.603 -11.076 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -13.143 -4.423 -9.670 1.00 0.00 H new ATOM 1068 N SER A 74 -10.967 -0.005 -10.917 1.00 0.00 N ATOM 1069 CA SER A 74 -10.293 1.254 -10.675 1.00 0.00 C ATOM 1070 C SER A 74 -11.095 2.012 -9.645 1.00 0.00 C ATOM 1071 O SER A 74 -12.256 2.342 -9.886 1.00 0.00 O ATOM 1072 CB SER A 74 -10.179 2.066 -11.967 1.00 0.00 C ATOM 1073 OG SER A 74 -11.255 1.784 -12.845 1.00 0.00 O ATOM 0 H SER A 74 -11.529 -0.042 -11.767 1.00 0.00 H new ATOM 0 HA SER A 74 -9.280 1.074 -10.314 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.168 3.130 -11.731 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.234 1.839 -12.461 1.00 0.00 H new ATOM 0 HG SER A 74 -11.159 2.317 -13.662 1.00 0.00 H new ATOM 1079 N LEU A 75 -10.498 2.288 -8.484 1.00 0.00 N ATOM 1080 CA LEU A 75 -11.207 2.985 -7.478 1.00 0.00 C ATOM 1081 C LEU A 75 -10.804 4.417 -7.558 1.00 0.00 C ATOM 1082 O LEU A 75 -9.999 4.910 -6.776 1.00 0.00 O ATOM 1083 CB LEU A 75 -10.902 2.418 -6.098 1.00 0.00 C ATOM 1084 CG LEU A 75 -9.456 2.598 -5.662 1.00 0.00 C ATOM 1085 CD1 LEU A 75 -9.366 2.780 -4.156 1.00 0.00 C ATOM 1086 CD2 LEU A 75 -8.614 1.421 -6.109 1.00 0.00 C ATOM 0 H LEU A 75 -9.540 2.033 -8.245 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.281 2.879 -7.634 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -11.554 2.897 -5.367 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.143 1.355 -6.092 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.066 3.498 -6.137 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.323 2.907 -3.867 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -9.934 3.662 -3.862 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.776 1.901 -3.658 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.583 1.568 -5.788 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.005 0.505 -5.666 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.648 1.341 -7.196 1.00 0.00 H new ATOM 1098 N GLU A 76 -11.369 5.087 -8.513 1.00 0.00 N ATOM 1099 CA GLU A 76 -11.058 6.466 -8.699 1.00 0.00 C ATOM 1100 C GLU A 76 -12.057 7.317 -7.932 1.00 0.00 C ATOM 1101 O GLU A 76 -12.354 8.450 -8.313 1.00 0.00 O ATOM 1102 CB GLU A 76 -11.063 6.833 -10.184 1.00 0.00 C ATOM 1103 CG GLU A 76 -10.213 5.912 -11.043 1.00 0.00 C ATOM 1104 CD GLU A 76 -10.869 5.580 -12.368 1.00 0.00 C ATOM 1105 OE1 GLU A 76 -11.936 4.932 -12.357 1.00 0.00 O ATOM 1106 OE2 GLU A 76 -10.317 5.970 -13.418 1.00 0.00 O ATOM 0 H GLU A 76 -12.045 4.702 -9.173 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.056 6.657 -8.316 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -12.089 6.813 -10.551 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -10.704 7.856 -10.298 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.247 6.383 -11.228 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.018 4.989 -10.497 1.00 0.00 H new ATOM 1113 N GLY A 77 -12.600 6.740 -6.860 1.00 0.00 N ATOM 1114 CA GLY A 77 -13.585 7.413 -6.067 1.00 0.00 C ATOM 1115 C GLY A 77 -14.923 6.737 -6.195 1.00 0.00 C ATOM 1116 O GLY A 77 -15.971 7.361 -6.039 1.00 0.00 O ATOM 0 H GLY A 77 -12.362 5.803 -6.533 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.274 7.421 -5.022 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.666 8.453 -6.384 1.00 0.00 H new ATOM 1120 N ALA A 78 -14.875 5.442 -6.487 1.00 0.00 N ATOM 1121 CA ALA A 78 -16.077 4.655 -6.643 1.00 0.00 C ATOM 1122 C ALA A 78 -16.434 3.978 -5.342 1.00 0.00 C ATOM 1123 O ALA A 78 -17.486 4.220 -4.781 1.00 0.00 O ATOM 1124 CB ALA A 78 -15.906 3.611 -7.739 1.00 0.00 C ATOM 0 H ALA A 78 -14.009 4.920 -6.620 1.00 0.00 H new ATOM 0 HA ALA A 78 -16.885 5.328 -6.929 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -16.824 3.032 -7.837 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -15.688 4.108 -8.684 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -15.083 2.945 -7.482 1.00 0.00 H new ATOM 1130 N THR A 79 -15.549 3.126 -4.855 1.00 0.00 N ATOM 1131 CA THR A 79 -15.789 2.421 -3.642 1.00 0.00 C ATOM 1132 C THR A 79 -17.189 1.969 -3.476 1.00 0.00 C ATOM 1133 O THR A 79 -17.527 0.888 -3.940 1.00 0.00 O ATOM 1134 CB THR A 79 -15.350 3.204 -2.437 1.00 0.00 C ATOM 1135 OG1 THR A 79 -15.242 4.591 -2.709 1.00 0.00 O ATOM 1136 CG2 THR A 79 -14.053 2.701 -2.015 1.00 0.00 C ATOM 0 H THR A 79 -14.654 2.915 -5.298 1.00 0.00 H new ATOM 0 HA THR A 79 -15.177 1.523 -3.720 1.00 0.00 H new ATOM 0 HB THR A 79 -16.100 3.080 -1.656 1.00 0.00 H new ATOM 0 HG1 THR A 79 -15.113 5.080 -1.869 1.00 0.00 H new ATOM 0 HG21 THR A 79 -13.715 3.256 -1.140 1.00 0.00 H new ATOM 0 HG22 THR A 79 -14.137 1.644 -1.764 1.00 0.00 H new ATOM 0 HG23 THR A 79 -13.334 2.826 -2.824 1.00 0.00 H new ATOM 1144 N HIS A 80 -17.955 2.741 -2.714 1.00 0.00 N ATOM 1145 CA HIS A 80 -19.303 2.346 -2.365 1.00 0.00 C ATOM 1146 C HIS A 80 -19.539 0.902 -2.763 1.00 0.00 C ATOM 1147 O HIS A 80 -19.506 0.003 -1.926 1.00 0.00 O ATOM 1148 CB HIS A 80 -20.397 3.262 -2.884 1.00 0.00 C ATOM 1149 CG HIS A 80 -20.006 4.108 -4.010 1.00 0.00 C ATOM 1150 ND1 HIS A 80 -19.852 3.806 -5.295 1.00 0.00 N flip ATOM 1151 CD2 HIS A 80 -19.731 5.440 -3.875 1.00 0.00 C flip ATOM 1152 CE1 HIS A 80 -19.488 4.960 -5.942 1.00 0.00 C flip ATOM 1153 NE2 HIS A 80 -19.421 5.932 -5.045 1.00 0.00 N flip ATOM 0 H HIS A 80 -17.662 3.639 -2.330 1.00 0.00 H new ATOM 0 HA HIS A 80 -19.374 2.444 -1.282 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -21.249 2.653 -3.185 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -20.734 3.901 -2.068 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -19.765 5.996 -2.950 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -19.290 5.059 -6.999 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -19.170 6.902 -5.236 1.00 0.00 H new ATOM 1162 N LYS A 81 -19.733 0.672 -4.046 1.00 0.00 N ATOM 1163 CA LYS A 81 -19.898 -0.677 -4.530 1.00 0.00 C ATOM 1164 C LYS A 81 -18.572 -1.425 -4.765 1.00 0.00 C ATOM 1165 O LYS A 81 -18.308 -2.465 -4.173 1.00 0.00 O ATOM 1166 CB LYS A 81 -20.710 -0.664 -5.826 1.00 0.00 C ATOM 1167 CG LYS A 81 -21.552 -1.913 -6.028 1.00 0.00 C ATOM 1168 CD LYS A 81 -22.940 -1.752 -5.430 1.00 0.00 C ATOM 1169 CE LYS A 81 -23.714 -3.059 -5.458 1.00 0.00 C ATOM 1170 NZ LYS A 81 -24.590 -3.162 -6.657 1.00 0.00 N ATOM 0 H LYS A 81 -19.779 1.396 -4.763 1.00 0.00 H new ATOM 0 HA LYS A 81 -20.424 -1.219 -3.744 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -21.363 0.209 -5.827 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -20.030 -0.554 -6.670 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -21.636 -2.128 -7.093 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -21.054 -2.767 -5.569 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -22.856 -1.400 -4.402 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -23.490 -0.991 -5.984 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -23.015 -3.895 -5.447 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -24.322 -3.140 -4.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -25.100 -4.068 -6.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -25.275 -2.379 -6.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -24.008 -3.111 -7.517 1.00 0.00 H new ATOM 1184 N GLN A 82 -17.763 -0.890 -5.690 1.00 0.00 N ATOM 1185 CA GLN A 82 -16.521 -1.553 -6.121 1.00 0.00 C ATOM 1186 C GLN A 82 -15.359 -1.572 -5.169 1.00 0.00 C ATOM 1187 O GLN A 82 -14.790 -2.629 -4.926 1.00 0.00 O ATOM 1188 CB GLN A 82 -16.000 -0.902 -7.409 1.00 0.00 C ATOM 1189 CG GLN A 82 -17.095 -0.529 -8.390 1.00 0.00 C ATOM 1190 CD GLN A 82 -16.554 0.000 -9.704 1.00 0.00 C ATOM 1191 OE1 GLN A 82 -15.703 1.015 -9.628 1.00 0.00 O flip ATOM 1192 NE2 GLN A 82 -16.900 -0.499 -10.775 1.00 0.00 N flip ATOM 0 H GLN A 82 -17.945 -0.001 -6.155 1.00 0.00 H new ATOM 0 HA GLN A 82 -16.845 -2.589 -6.225 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -15.436 -0.006 -7.150 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -15.306 -1.586 -7.896 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -17.716 -1.404 -8.584 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -17.739 0.225 -7.938 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -17.557 -1.279 -10.786 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -16.529 -0.132 -11.652 1.00 0.00 H new ATOM 1201 N ALA A 83 -14.931 -0.425 -4.706 1.00 0.00 N ATOM 1202 CA ALA A 83 -13.729 -0.438 -3.876 1.00 0.00 C ATOM 1203 C ALA A 83 -13.948 -0.900 -2.479 1.00 0.00 C ATOM 1204 O ALA A 83 -13.262 -1.795 -1.989 1.00 0.00 O ATOM 1205 CB ALA A 83 -12.952 0.875 -3.949 1.00 0.00 C ATOM 0 H ALA A 83 -15.359 0.486 -4.870 1.00 0.00 H new ATOM 0 HA ALA A 83 -13.095 -1.205 -4.320 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -12.069 0.811 -3.314 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.646 1.060 -4.979 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -13.586 1.693 -3.607 1.00 0.00 H new ATOM 1211 N VAL A 84 -14.914 -0.333 -1.857 1.00 0.00 N ATOM 1212 CA VAL A 84 -15.213 -0.699 -0.502 1.00 0.00 C ATOM 1213 C VAL A 84 -15.674 -2.132 -0.443 1.00 0.00 C ATOM 1214 O VAL A 84 -15.247 -2.909 0.415 1.00 0.00 O ATOM 1215 CB VAL A 84 -16.266 0.218 0.141 1.00 0.00 C ATOM 1216 CG1 VAL A 84 -17.208 0.749 -0.903 1.00 0.00 C ATOM 1217 CG2 VAL A 84 -17.045 -0.520 1.213 1.00 0.00 C ATOM 0 H VAL A 84 -15.517 0.387 -2.254 1.00 0.00 H new ATOM 0 HA VAL A 84 -14.293 -0.582 0.070 1.00 0.00 H new ATOM 0 HB VAL A 84 -15.744 1.054 0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -17.947 1.396 -0.431 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -16.647 1.319 -1.643 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -17.714 -0.083 -1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -17.784 0.150 1.653 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -17.551 -1.377 0.770 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -16.360 -0.864 1.988 1.00 0.00 H new ATOM 1227 N GLU A 85 -16.547 -2.481 -1.362 1.00 0.00 N ATOM 1228 CA GLU A 85 -17.052 -3.836 -1.400 1.00 0.00 C ATOM 1229 C GLU A 85 -15.960 -4.812 -1.726 1.00 0.00 C ATOM 1230 O GLU A 85 -16.015 -5.971 -1.324 1.00 0.00 O ATOM 1231 CB GLU A 85 -18.071 -4.005 -2.488 1.00 0.00 C ATOM 1232 CG GLU A 85 -18.996 -5.188 -2.274 1.00 0.00 C ATOM 1233 CD GLU A 85 -20.023 -5.334 -3.379 1.00 0.00 C ATOM 1234 OE1 GLU A 85 -20.604 -4.306 -3.789 1.00 0.00 O ATOM 1235 OE2 GLU A 85 -20.250 -6.475 -3.833 1.00 0.00 O ATOM 0 H GLU A 85 -16.917 -1.859 -2.081 1.00 0.00 H new ATOM 0 HA GLU A 85 -17.480 -4.023 -0.415 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -18.668 -3.096 -2.560 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -17.556 -4.125 -3.441 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -18.403 -6.101 -2.211 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -19.509 -5.075 -1.319 1.00 0.00 H new ATOM 1242 N THR A 86 -15.007 -4.369 -2.527 1.00 0.00 N ATOM 1243 CA THR A 86 -13.977 -5.273 -2.962 1.00 0.00 C ATOM 1244 C THR A 86 -12.906 -5.491 -1.904 1.00 0.00 C ATOM 1245 O THR A 86 -12.416 -6.607 -1.732 1.00 0.00 O ATOM 1246 CB THR A 86 -13.380 -4.827 -4.293 1.00 0.00 C ATOM 1247 OG1 THR A 86 -12.785 -5.925 -4.945 1.00 0.00 O ATOM 1248 CG2 THR A 86 -12.345 -3.729 -4.180 1.00 0.00 C ATOM 0 H THR A 86 -14.931 -3.414 -2.877 1.00 0.00 H new ATOM 0 HA THR A 86 -14.450 -6.243 -3.118 1.00 0.00 H new ATOM 0 HB THR A 86 -14.218 -4.422 -4.861 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.400 -6.532 -4.279 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.974 -3.475 -5.173 1.00 0.00 H new ATOM 0 HG22 THR A 86 -12.797 -2.848 -3.725 1.00 0.00 H new ATOM 0 HG23 THR A 86 -11.516 -4.072 -3.561 1.00 0.00 H new ATOM 1256 N LEU A 87 -12.557 -4.437 -1.180 1.00 0.00 N ATOM 1257 CA LEU A 87 -11.556 -4.556 -0.128 1.00 0.00 C ATOM 1258 C LEU A 87 -12.074 -5.495 0.955 1.00 0.00 C ATOM 1259 O LEU A 87 -11.321 -6.275 1.537 1.00 0.00 O ATOM 1260 CB LEU A 87 -11.212 -3.185 0.468 1.00 0.00 C ATOM 1261 CG LEU A 87 -12.406 -2.342 0.919 1.00 0.00 C ATOM 1262 CD1 LEU A 87 -12.936 -2.832 2.258 1.00 0.00 C ATOM 1263 CD2 LEU A 87 -12.014 -0.875 1.004 1.00 0.00 C ATOM 0 H LEU A 87 -12.946 -3.501 -1.298 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.642 -4.965 -0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.553 -3.336 1.323 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -10.649 -2.618 -0.273 1.00 0.00 H new ATOM 0 HG LEU A 87 -13.201 -2.447 0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -13.785 -2.218 2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -13.254 -3.871 2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.150 -2.759 3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -12.873 -0.287 1.326 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.203 -0.756 1.723 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.684 -0.529 0.024 1.00 0.00 H new ATOM 1275 N ARG A 88 -13.376 -5.414 1.197 1.00 0.00 N ATOM 1276 CA ARG A 88 -14.042 -6.253 2.187 1.00 0.00 C ATOM 1277 C ARG A 88 -14.259 -7.654 1.683 1.00 0.00 C ATOM 1278 O ARG A 88 -14.298 -8.601 2.471 1.00 0.00 O ATOM 1279 CB ARG A 88 -15.382 -5.640 2.588 1.00 0.00 C ATOM 1280 CG ARG A 88 -15.278 -4.615 3.705 1.00 0.00 C ATOM 1281 CD ARG A 88 -16.291 -4.881 4.807 1.00 0.00 C ATOM 1282 NE ARG A 88 -16.165 -3.929 5.909 1.00 0.00 N ATOM 1283 CZ ARG A 88 -15.152 -3.927 6.773 1.00 0.00 C ATOM 1284 NH1 ARG A 88 -14.178 -4.823 6.667 1.00 0.00 N ATOM 1285 NH2 ARG A 88 -15.114 -3.027 7.747 1.00 0.00 N ATOM 0 H ARG A 88 -13.999 -4.767 0.714 1.00 0.00 H new ATOM 0 HA ARG A 88 -13.387 -6.306 3.057 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -15.831 -5.167 1.714 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -16.057 -6.437 2.901 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -14.272 -4.633 4.123 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -15.436 -3.616 3.298 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -17.298 -4.826 4.394 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -16.156 -5.894 5.186 1.00 0.00 H new ATOM 0 HE ARG A 88 -16.895 -3.226 6.023 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -14.203 -5.518 5.921 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -13.404 -4.817 7.332 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -15.860 -2.337 7.834 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -14.338 -3.025 8.409 1.00 0.00 H new ATOM 1299 N ASN A 89 -14.451 -7.797 0.388 1.00 0.00 N ATOM 1300 CA ASN A 89 -14.720 -9.102 -0.154 1.00 0.00 C ATOM 1301 C ASN A 89 -13.502 -9.762 -0.777 1.00 0.00 C ATOM 1302 O ASN A 89 -13.565 -10.911 -1.211 1.00 0.00 O ATOM 1303 CB ASN A 89 -15.845 -8.996 -1.161 1.00 0.00 C ATOM 1304 CG ASN A 89 -17.143 -9.597 -0.658 1.00 0.00 C ATOM 1305 OD1 ASN A 89 -17.637 -10.583 -1.205 1.00 0.00 O ATOM 1306 ND2 ASN A 89 -17.702 -9.003 0.390 1.00 0.00 N ATOM 0 H ASN A 89 -14.426 -7.038 -0.293 1.00 0.00 H new ATOM 0 HA ASN A 89 -15.012 -9.746 0.675 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -16.008 -7.947 -1.408 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -15.550 -9.499 -2.082 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -18.576 -9.362 0.773 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -17.257 -8.188 0.812 1.00 0.00 H new ATOM 1313 N THR A 90 -12.407 -9.033 -0.809 1.00 0.00 N ATOM 1314 CA THR A 90 -11.151 -9.534 -1.363 1.00 0.00 C ATOM 1315 C THR A 90 -10.923 -10.989 -0.967 1.00 0.00 C ATOM 1316 O THR A 90 -11.586 -11.509 -0.069 1.00 0.00 O ATOM 1317 CB THR A 90 -9.977 -8.690 -0.871 1.00 0.00 C ATOM 1318 OG1 THR A 90 -10.175 -8.283 0.472 1.00 0.00 O ATOM 1319 CG2 THR A 90 -9.749 -7.451 -1.701 1.00 0.00 C ATOM 0 H THR A 90 -12.354 -8.078 -0.455 1.00 0.00 H new ATOM 0 HA THR A 90 -11.217 -9.468 -2.449 1.00 0.00 H new ATOM 0 HB THR A 90 -9.101 -9.333 -0.958 1.00 0.00 H new ATOM 0 HG1 THR A 90 -10.524 -7.368 0.488 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.902 -6.895 -1.300 1.00 0.00 H new ATOM 0 HG22 THR A 90 -9.540 -7.737 -2.732 1.00 0.00 H new ATOM 0 HG23 THR A 90 -10.640 -6.824 -1.672 1.00 0.00 H new ATOM 1327 N GLY A 91 -9.975 -11.638 -1.624 1.00 0.00 N ATOM 1328 CA GLY A 91 -9.691 -13.024 -1.297 1.00 0.00 C ATOM 1329 C GLY A 91 -10.005 -13.990 -2.426 1.00 0.00 C ATOM 1330 O GLY A 91 -9.094 -14.615 -2.968 1.00 0.00 O ATOM 0 H GLY A 91 -9.403 -11.239 -2.368 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.638 -13.118 -1.032 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.268 -13.307 -0.417 1.00 0.00 H new ATOM 1334 N GLN A 92 -11.295 -14.122 -2.782 1.00 0.00 N ATOM 1335 CA GLN A 92 -11.710 -15.030 -3.865 1.00 0.00 C ATOM 1336 C GLN A 92 -10.617 -15.107 -4.923 1.00 0.00 C ATOM 1337 O GLN A 92 -10.256 -16.181 -5.403 1.00 0.00 O ATOM 1338 CB GLN A 92 -13.019 -14.549 -4.495 1.00 0.00 C ATOM 1339 CG GLN A 92 -13.005 -13.079 -4.879 1.00 0.00 C ATOM 1340 CD GLN A 92 -14.347 -12.598 -5.393 1.00 0.00 C ATOM 1341 OE1 GLN A 92 -14.444 -12.047 -6.491 1.00 0.00 O ATOM 1342 NE2 GLN A 92 -15.393 -12.802 -4.601 1.00 0.00 N ATOM 0 H GLN A 92 -12.062 -13.616 -2.340 1.00 0.00 H new ATOM 0 HA GLN A 92 -11.872 -16.023 -3.446 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -13.226 -15.146 -5.383 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.836 -14.725 -3.795 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -12.717 -12.484 -4.012 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -12.247 -12.914 -5.645 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -15.268 -13.262 -3.699 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -16.322 -12.498 -4.894 1.00 0.00 H new ATOM 1351 N VAL A 93 -10.078 -13.942 -5.231 1.00 0.00 N ATOM 1352 CA VAL A 93 -9.033 -13.758 -6.131 1.00 0.00 C ATOM 1353 C VAL A 93 -8.857 -12.278 -6.270 1.00 0.00 C ATOM 1354 O VAL A 93 -9.746 -11.575 -6.750 1.00 0.00 O ATOM 1355 CB VAL A 93 -9.268 -14.430 -7.455 1.00 0.00 C ATOM 1356 CG1 VAL A 93 -10.080 -13.571 -8.416 1.00 0.00 C ATOM 1357 CG2 VAL A 93 -7.904 -14.735 -7.956 1.00 0.00 C ATOM 0 H VAL A 93 -10.401 -13.068 -4.817 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.125 -14.229 -5.755 1.00 0.00 H new ATOM 0 HB VAL A 93 -9.874 -15.331 -7.357 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -10.218 -14.107 -9.355 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -11.053 -13.353 -7.976 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -9.550 -12.637 -8.606 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -7.974 -15.230 -8.924 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.340 -13.808 -8.062 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.395 -15.391 -7.249 1.00 0.00 H new ATOM 1367 N VAL A 94 -7.768 -11.785 -5.736 1.00 0.00 N ATOM 1368 CA VAL A 94 -7.573 -10.387 -5.699 1.00 0.00 C ATOM 1369 C VAL A 94 -6.374 -9.917 -6.471 1.00 0.00 C ATOM 1370 O VAL A 94 -5.272 -10.455 -6.385 1.00 0.00 O ATOM 1371 CB VAL A 94 -7.415 -9.936 -4.274 1.00 0.00 C ATOM 1372 CG1 VAL A 94 -6.008 -9.448 -4.128 1.00 0.00 C ATOM 1373 CG2 VAL A 94 -8.436 -8.862 -3.897 1.00 0.00 C ATOM 0 H VAL A 94 -7.016 -12.340 -5.327 1.00 0.00 H new ATOM 0 HA VAL A 94 -8.455 -9.953 -6.169 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.605 -10.762 -3.589 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.845 -9.108 -3.105 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.316 -10.259 -4.356 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.837 -8.621 -4.817 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.286 -8.565 -2.859 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -8.308 -7.995 -4.545 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.444 -9.259 -4.018 1.00 0.00 H new ATOM 1383 N HIS A 95 -6.627 -8.866 -7.161 1.00 0.00 N ATOM 1384 CA HIS A 95 -5.618 -8.159 -7.926 1.00 0.00 C ATOM 1385 C HIS A 95 -5.717 -6.664 -7.683 1.00 0.00 C ATOM 1386 O HIS A 95 -6.733 -6.055 -8.000 1.00 0.00 O ATOM 1387 CB HIS A 95 -5.736 -8.541 -9.378 1.00 0.00 C ATOM 1388 CG HIS A 95 -5.355 -9.963 -9.528 1.00 0.00 C ATOM 1389 ND1 HIS A 95 -6.138 -10.990 -9.090 1.00 0.00 N ATOM 1390 CD2 HIS A 95 -4.209 -10.526 -9.927 1.00 0.00 C ATOM 1391 CE1 HIS A 95 -5.464 -12.110 -9.213 1.00 0.00 C ATOM 1392 NE2 HIS A 95 -4.308 -11.856 -9.733 1.00 0.00 N ATOM 0 H HIS A 95 -7.556 -8.449 -7.223 1.00 0.00 H new ATOM 0 HA HIS A 95 -4.620 -8.449 -7.597 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -6.756 -8.384 -9.728 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.089 -7.910 -9.988 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -3.354 -10.006 -10.333 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -5.819 -13.089 -8.925 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -3.591 -12.546 -9.958 1.00 0.00 H new ATOM 1401 N LEU A 96 -4.696 -6.073 -7.081 1.00 0.00 N ATOM 1402 CA LEU A 96 -4.729 -4.696 -6.772 1.00 0.00 C ATOM 1403 C LEU A 96 -3.598 -3.875 -7.275 1.00 0.00 C ATOM 1404 O LEU A 96 -2.450 -4.177 -7.036 1.00 0.00 O ATOM 1405 CB LEU A 96 -4.771 -4.514 -5.283 1.00 0.00 C ATOM 1406 CG LEU A 96 -5.908 -3.666 -4.973 1.00 0.00 C ATOM 1407 CD1 LEU A 96 -6.466 -3.923 -3.581 1.00 0.00 C ATOM 1408 CD2 LEU A 96 -5.575 -2.202 -5.215 1.00 0.00 C ATOM 0 H LEU A 96 -3.838 -6.551 -6.805 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.622 -4.340 -7.285 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.865 -5.478 -4.783 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.847 -4.059 -4.927 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.712 -3.931 -5.659 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.314 -3.262 -3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.792 -4.960 -3.505 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.692 -3.731 -2.838 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.443 -1.587 -4.976 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.737 -1.910 -4.582 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.306 -2.058 -6.261 1.00 0.00 H new ATOM 1420 N LEU A 97 -3.957 -2.763 -7.873 1.00 0.00 N ATOM 1421 CA LEU A 97 -2.967 -1.816 -8.309 1.00 0.00 C ATOM 1422 C LEU A 97 -2.989 -0.614 -7.381 1.00 0.00 C ATOM 1423 O LEU A 97 -3.969 0.129 -7.331 1.00 0.00 O ATOM 1424 CB LEU A 97 -3.238 -1.380 -9.739 1.00 0.00 C ATOM 1425 CG LEU A 97 -2.653 -2.316 -10.775 1.00 0.00 C ATOM 1426 CD1 LEU A 97 -3.113 -1.934 -12.174 1.00 0.00 C ATOM 1427 CD2 LEU A 97 -1.135 -2.302 -10.674 1.00 0.00 C ATOM 0 H LEU A 97 -4.922 -2.496 -8.066 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.983 -2.284 -8.279 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.315 -1.309 -9.891 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.828 -0.381 -9.890 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.009 -3.328 -10.581 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.679 -2.621 -12.900 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.200 -1.989 -12.227 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.790 -0.918 -12.398 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.714 -2.976 -11.420 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.768 -1.291 -10.850 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.834 -2.629 -9.679 1.00 0.00 H new ATOM 1439 N LEU A 98 -1.905 -0.444 -6.640 1.00 0.00 N ATOM 1440 CA LEU A 98 -1.781 0.652 -5.684 1.00 0.00 C ATOM 1441 C LEU A 98 -0.766 1.678 -6.124 1.00 0.00 C ATOM 1442 O LEU A 98 0.264 1.340 -6.697 1.00 0.00 O ATOM 1443 CB LEU A 98 -1.373 0.089 -4.333 1.00 0.00 C ATOM 1444 CG LEU A 98 0.026 0.466 -3.835 1.00 0.00 C ATOM 1445 CD1 LEU A 98 -0.020 1.806 -3.112 1.00 0.00 C ATOM 1446 CD2 LEU A 98 0.522 -0.652 -2.950 1.00 0.00 C ATOM 0 H LEU A 98 -1.090 -1.056 -6.681 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.748 1.151 -5.619 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.101 0.419 -3.591 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.437 -0.998 -4.382 1.00 0.00 H new ATOM 0 HG LEU A 98 0.721 0.587 -4.666 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.979 2.065 -2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.376 2.576 -3.796 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.696 1.737 -2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.518 -0.409 -2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.157 -0.777 -2.107 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.563 -1.578 -3.523 1.00 0.00 H new ATOM 1458 N GLU A 99 -1.043 2.927 -5.801 1.00 0.00 N ATOM 1459 CA GLU A 99 -0.117 4.001 -6.121 1.00 0.00 C ATOM 1460 C GLU A 99 0.501 4.548 -4.853 1.00 0.00 C ATOM 1461 O GLU A 99 -0.158 5.165 -4.019 1.00 0.00 O ATOM 1462 CB GLU A 99 -0.765 5.121 -6.929 1.00 0.00 C ATOM 1463 CG GLU A 99 -1.992 4.688 -7.716 1.00 0.00 C ATOM 1464 CD GLU A 99 -2.187 5.500 -8.982 1.00 0.00 C ATOM 1465 OE1 GLU A 99 -1.186 5.753 -9.685 1.00 0.00 O ATOM 1466 OE2 GLU A 99 -3.341 5.882 -9.271 1.00 0.00 O ATOM 0 H GLU A 99 -1.893 3.223 -5.322 1.00 0.00 H new ATOM 0 HA GLU A 99 0.663 3.575 -6.752 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -1.047 5.927 -6.252 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -0.028 5.529 -7.621 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -1.900 3.633 -7.975 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -2.876 4.785 -7.086 1.00 0.00 H new ATOM 1473 N LYS A 100 1.778 4.271 -4.715 1.00 0.00 N ATOM 1474 CA LYS A 100 2.541 4.670 -3.554 1.00 0.00 C ATOM 1475 C LYS A 100 2.700 6.175 -3.452 1.00 0.00 C ATOM 1476 O LYS A 100 3.323 6.813 -4.301 1.00 0.00 O ATOM 1477 CB LYS A 100 3.897 3.981 -3.607 1.00 0.00 C ATOM 1478 CG LYS A 100 4.229 3.224 -2.335 1.00 0.00 C ATOM 1479 CD LYS A 100 3.141 2.212 -2.008 1.00 0.00 C ATOM 1480 CE LYS A 100 3.644 0.783 -2.136 1.00 0.00 C ATOM 1481 NZ LYS A 100 3.417 0.234 -3.504 1.00 0.00 N ATOM 0 H LYS A 100 2.320 3.759 -5.411 1.00 0.00 H new ATOM 0 HA LYS A 100 1.998 4.364 -2.660 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.914 3.289 -4.449 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.670 4.727 -3.791 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.185 2.713 -2.450 1.00 0.00 H new ATOM 0 HG3 LYS A 100 4.340 3.925 -1.508 1.00 0.00 H new ATOM 0 HD2 LYS A 100 2.780 2.381 -0.993 1.00 0.00 H new ATOM 0 HD3 LYS A 100 2.293 2.360 -2.677 1.00 0.00 H new ATOM 0 HE2 LYS A 100 4.709 0.751 -1.904 1.00 0.00 H new ATOM 0 HE3 LYS A 100 3.139 0.153 -1.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 3.163 -0.772 -3.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 2.644 0.756 -3.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 4.286 0.334 -4.067 1.00 0.00 H new ATOM 1495 N GLY A 101 2.140 6.730 -2.385 1.00 0.00 N ATOM 1496 CA GLY A 101 2.232 8.151 -2.149 1.00 0.00 C ATOM 1497 C GLY A 101 2.005 8.472 -0.692 1.00 0.00 C ATOM 1498 O GLY A 101 1.433 9.505 -0.344 1.00 0.00 O ATOM 0 H GLY A 101 1.620 6.213 -1.675 1.00 0.00 H new ATOM 0 HA2 GLY A 101 3.214 8.512 -2.456 1.00 0.00 H new ATOM 0 HA3 GLY A 101 1.495 8.673 -2.759 1.00 0.00 H new ATOM 1502 N GLN A 102 2.460 7.560 0.154 1.00 0.00 N ATOM 1503 CA GLN A 102 2.327 7.687 1.594 1.00 0.00 C ATOM 1504 C GLN A 102 2.806 9.054 2.080 1.00 0.00 C ATOM 1505 O GLN A 102 3.989 9.246 2.359 1.00 0.00 O ATOM 1506 CB GLN A 102 3.124 6.577 2.278 1.00 0.00 C ATOM 1507 CG GLN A 102 2.337 5.288 2.474 1.00 0.00 C ATOM 1508 CD GLN A 102 2.202 4.907 3.936 1.00 0.00 C ATOM 1509 OE1 GLN A 102 1.491 5.563 4.698 1.00 0.00 O ATOM 1510 NE2 GLN A 102 2.886 3.841 4.336 1.00 0.00 N ATOM 0 H GLN A 102 2.934 6.707 -0.143 1.00 0.00 H new ATOM 0 HA GLN A 102 1.272 7.595 1.852 1.00 0.00 H new ATOM 0 HB2 GLN A 102 4.013 6.362 1.685 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.467 6.934 3.249 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.344 5.402 2.038 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.830 4.479 1.935 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.463 3.326 3.671 1.00 0.00 H new ATOM 0 HE22 GLN A 102 2.834 3.537 5.308 1.00 0.00 H new ATOM 1519 N SER A 103 1.877 9.999 2.177 1.00 0.00 N ATOM 1520 CA SER A 103 2.200 11.347 2.628 1.00 0.00 C ATOM 1521 C SER A 103 0.939 12.206 2.721 1.00 0.00 C ATOM 1522 O SER A 103 0.784 13.179 1.983 1.00 0.00 O ATOM 1523 CB SER A 103 3.209 11.997 1.679 1.00 0.00 C ATOM 1524 OG SER A 103 3.981 12.979 2.348 1.00 0.00 O ATOM 0 H SER A 103 0.893 9.856 1.949 1.00 0.00 H new ATOM 0 HA SER A 103 2.643 11.276 3.622 1.00 0.00 H new ATOM 0 HB2 SER A 103 3.867 11.233 1.265 1.00 0.00 H new ATOM 0 HB3 SER A 103 2.682 12.453 0.841 1.00 0.00 H new ATOM 0 HG SER A 103 4.619 13.378 1.720 1.00 0.00 H new ATOM 1530 N PRO A 104 0.018 11.854 3.635 1.00 0.00 N ATOM 1531 CA PRO A 104 -1.233 12.595 3.823 1.00 0.00 C ATOM 1532 C PRO A 104 -1.008 14.051 4.107 1.00 0.00 C ATOM 1533 O PRO A 104 0.123 14.501 4.293 1.00 0.00 O ATOM 1534 CB PRO A 104 -1.901 11.898 5.011 1.00 0.00 C ATOM 1535 CG PRO A 104 -1.286 10.542 5.055 1.00 0.00 C ATOM 1536 CD PRO A 104 0.122 10.708 4.555 1.00 0.00 C ATOM 0 HA PRO A 104 -1.844 12.585 2.921 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -1.724 12.442 5.939 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -2.981 11.838 4.877 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -1.295 10.142 6.069 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -1.841 9.841 4.431 1.00 0.00 H new ATOM 0 HD2 PRO A 104 0.818 10.907 5.370 1.00 0.00 H new ATOM 0 HD3 PRO A 104 0.477 9.812 4.045 1.00 0.00 H new ATOM 1544 N THR A 105 -2.097 14.794 4.098 1.00 0.00 N ATOM 1545 CA THR A 105 -2.021 16.212 4.310 1.00 0.00 C ATOM 1546 C THR A 105 -1.701 16.552 5.766 1.00 0.00 C ATOM 1547 O THR A 105 -2.478 17.228 6.440 1.00 0.00 O ATOM 1548 CB THR A 105 -3.321 16.892 3.878 1.00 0.00 C ATOM 1549 OG1 THR A 105 -4.440 16.086 4.203 1.00 0.00 O ATOM 1550 CG2 THR A 105 -3.380 17.183 2.394 1.00 0.00 C ATOM 0 H THR A 105 -3.039 14.434 3.946 1.00 0.00 H new ATOM 0 HA THR A 105 -1.204 16.590 3.695 1.00 0.00 H new ATOM 0 HB THR A 105 -3.345 17.838 4.418 1.00 0.00 H new ATOM 0 HG1 THR A 105 -5.262 16.538 3.921 1.00 0.00 H new ATOM 0 HG21 THR A 105 -4.328 17.665 2.155 1.00 0.00 H new ATOM 0 HG22 THR A 105 -2.558 17.844 2.120 1.00 0.00 H new ATOM 0 HG23 THR A 105 -3.297 16.250 1.837 1.00 0.00 H new ATOM 1558 N SER A 106 -0.549 16.085 6.243 1.00 0.00 N ATOM 1559 CA SER A 106 -0.120 16.343 7.617 1.00 0.00 C ATOM 1560 C SER A 106 -1.261 16.134 8.612 1.00 0.00 C ATOM 1561 O SER A 106 -1.307 16.779 9.659 1.00 0.00 O ATOM 1562 CB SER A 106 0.422 17.768 7.742 1.00 0.00 C ATOM 1563 OG SER A 106 1.819 17.807 7.505 1.00 0.00 O ATOM 0 H SER A 106 0.106 15.525 5.697 1.00 0.00 H new ATOM 0 HA SER A 106 0.670 15.631 7.855 1.00 0.00 H new ATOM 0 HB2 SER A 106 -0.089 18.418 7.031 1.00 0.00 H new ATOM 0 HB3 SER A 106 0.208 18.155 8.738 1.00 0.00 H new ATOM 0 HG SER A 106 2.139 18.729 7.589 1.00 0.00 H new ATOM 1569 N LYS A 107 -2.178 15.232 8.278 1.00 0.00 N ATOM 1570 CA LYS A 107 -3.316 14.945 9.146 1.00 0.00 C ATOM 1571 C LYS A 107 -4.195 13.847 8.553 1.00 0.00 C ATOM 1572 O LYS A 107 -5.406 14.016 8.410 1.00 0.00 O ATOM 1573 CB LYS A 107 -4.143 16.213 9.373 1.00 0.00 C ATOM 1574 CG LYS A 107 -4.674 16.348 10.791 1.00 0.00 C ATOM 1575 CD LYS A 107 -6.115 15.872 10.894 1.00 0.00 C ATOM 1576 CE LYS A 107 -7.094 16.985 10.559 1.00 0.00 C ATOM 1577 NZ LYS A 107 -8.311 16.931 11.416 1.00 0.00 N ATOM 0 H LYS A 107 -2.156 14.688 7.415 1.00 0.00 H new ATOM 0 HA LYS A 107 -2.930 14.595 10.103 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -3.530 17.083 9.139 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -4.982 16.219 8.678 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -4.049 15.769 11.471 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -4.610 17.389 11.107 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -6.271 15.032 10.217 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -6.308 15.508 11.903 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -6.603 17.950 10.685 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -7.384 16.910 9.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -8.953 17.707 11.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -8.794 16.020 11.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -8.037 17.028 12.415 1.00 0.00 H new ATOM 1591 N GLU A 108 -3.577 12.722 8.211 1.00 0.00 N ATOM 1592 CA GLU A 108 -4.304 11.596 7.635 1.00 0.00 C ATOM 1593 C GLU A 108 -3.374 10.409 7.406 1.00 0.00 C ATOM 1594 O GLU A 108 -3.720 9.538 6.579 1.00 0.00 O ATOM 1595 CB GLU A 108 -4.965 12.007 6.317 1.00 0.00 C ATOM 1596 CG GLU A 108 -6.430 12.381 6.462 1.00 0.00 C ATOM 1597 CD GLU A 108 -7.277 11.874 5.311 1.00 0.00 C ATOM 1598 OE1 GLU A 108 -7.143 10.686 4.952 1.00 0.00 O ATOM 1599 OE2 GLU A 108 -8.076 12.667 4.767 1.00 0.00 O ATOM 1600 OXT GLU A 108 -2.308 10.359 8.055 1.00 0.00 O ATOM 0 H GLU A 108 -2.575 12.565 8.322 1.00 0.00 H new ATOM 0 HA GLU A 108 -5.078 11.296 8.341 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.422 12.854 5.897 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -4.877 11.187 5.605 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -6.814 11.975 7.398 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -6.520 13.465 6.525 1.00 0.00 H new TER 1607 GLU A 108