USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 667 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 13 LYS NZ :NH3+ 150:sc= 0.00956 (180deg=0) USER MOD Set 1.2: A 17 SER OG : rot 180:sc= 0.0112 USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.119 (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 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0754 USER MOD Single : A 18 GLN : amide:sc= -1.78 K(o=-1.8,f=-3.6!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= -1.25 USER MOD Single : A 27 GLN : amide:sc=-0.00273 X(o=-0.0027,f=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -6.36! C(o=-6.4!,f=-18!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 147:sc= -0.372 (180deg=-0.476) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -0.089 F(o=-0.8,f=-0.089) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= -0.337 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -1.79! C(o=-1.8!,f=-9.3!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.076 K(o=-0.076,f=-1.3!) USER MOD Single : A 58 GLN : amide:sc= -0.526 X(o=-0.53,f=-0.12) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.224 K(o=-0.22,f=-1.7) USER MOD Single : A 66 TYR OH : rot 60:sc= 0.107 USER MOD Single : A 67 ASN : amide:sc= -0.0175 X(o=-0.017,f=0.085) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 18:sc= 0.506 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.374 -15.475 -1.372 1.00 0.00 N ATOM 2 CA GLY A 1 -6.876 -16.087 -2.592 1.00 0.00 C ATOM 3 C GLY A 1 -5.353 -16.224 -2.555 1.00 0.00 C ATOM 4 O GLY A 1 -4.710 -15.791 -1.600 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.962 -16.160 -0.855 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.572 -15.187 -0.776 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.945 -14.639 -1.611 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.330 -17.069 -2.722 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.170 -15.484 -3.451 1.00 0.00 H new ATOM 8 N SER A 2 -4.819 -16.827 -3.608 1.00 0.00 N ATOM 9 CA SER A 2 -3.383 -17.026 -3.708 1.00 0.00 C ATOM 10 C SER A 2 -3.048 -17.784 -4.993 1.00 0.00 C ATOM 11 O SER A 2 -3.848 -18.588 -5.470 1.00 0.00 O ATOM 12 CB SER A 2 -2.846 -17.781 -2.490 1.00 0.00 C ATOM 13 OG SER A 2 -1.868 -17.024 -1.782 1.00 0.00 O ATOM 0 H SER A 2 -5.355 -17.184 -4.399 1.00 0.00 H new ATOM 0 HA SER A 2 -2.903 -16.048 -3.736 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.671 -18.023 -1.821 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.409 -18.726 -2.813 1.00 0.00 H new ATOM 0 HG SER A 2 -1.551 -17.539 -1.011 1.00 0.00 H new ATOM 19 N SER A 3 -1.865 -17.502 -5.518 1.00 0.00 N ATOM 20 CA SER A 3 -1.414 -18.148 -6.739 1.00 0.00 C ATOM 21 C SER A 3 0.059 -18.542 -6.610 1.00 0.00 C ATOM 22 O SER A 3 0.825 -17.874 -5.918 1.00 0.00 O ATOM 23 CB SER A 3 -1.616 -17.236 -7.951 1.00 0.00 C ATOM 24 OG SER A 3 -2.101 -17.952 -9.083 1.00 0.00 O ATOM 0 H SER A 3 -1.204 -16.834 -5.120 1.00 0.00 H new ATOM 0 HA SER A 3 -2.011 -19.047 -6.891 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.319 -16.443 -7.695 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.671 -16.755 -8.204 1.00 0.00 H new ATOM 0 HG SER A 3 -2.218 -17.335 -9.835 1.00 0.00 H new ATOM 30 N GLY A 4 0.410 -19.625 -7.288 1.00 0.00 N ATOM 31 CA GLY A 4 1.777 -20.116 -7.257 1.00 0.00 C ATOM 32 C GLY A 4 2.639 -19.403 -8.302 1.00 0.00 C ATOM 33 O GLY A 4 2.652 -19.790 -9.469 1.00 0.00 O ATOM 0 H GLY A 4 -0.228 -20.176 -7.862 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.200 -19.962 -6.264 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.786 -21.190 -7.444 1.00 0.00 H new ATOM 37 N SER A 5 3.337 -18.375 -7.844 1.00 0.00 N ATOM 38 CA SER A 5 4.199 -17.605 -8.724 1.00 0.00 C ATOM 39 C SER A 5 5.055 -16.637 -7.904 1.00 0.00 C ATOM 40 O SER A 5 4.664 -16.232 -6.810 1.00 0.00 O ATOM 41 CB SER A 5 3.381 -16.838 -9.765 1.00 0.00 C ATOM 42 OG SER A 5 4.125 -16.592 -10.955 1.00 0.00 O ATOM 0 H SER A 5 3.323 -18.057 -6.875 1.00 0.00 H new ATOM 0 HA SER A 5 4.852 -18.298 -9.254 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.483 -17.405 -10.010 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.053 -15.889 -9.340 1.00 0.00 H new ATOM 0 HG SER A 5 3.567 -16.102 -11.594 1.00 0.00 H new ATOM 48 N SER A 6 6.205 -16.294 -8.464 1.00 0.00 N ATOM 49 CA SER A 6 7.119 -15.382 -7.797 1.00 0.00 C ATOM 50 C SER A 6 6.697 -13.935 -8.059 1.00 0.00 C ATOM 51 O SER A 6 6.032 -13.648 -9.053 1.00 0.00 O ATOM 52 CB SER A 6 8.559 -15.606 -8.263 1.00 0.00 C ATOM 53 OG SER A 6 9.289 -16.434 -7.361 1.00 0.00 O ATOM 0 H SER A 6 6.525 -16.631 -9.372 1.00 0.00 H new ATOM 0 HA SER A 6 7.077 -15.579 -6.726 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.553 -16.064 -9.252 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.062 -14.644 -8.361 1.00 0.00 H new ATOM 0 HG SER A 6 10.203 -16.555 -7.694 1.00 0.00 H new ATOM 59 N GLY A 7 7.099 -13.060 -7.148 1.00 0.00 N ATOM 60 CA GLY A 7 6.771 -11.650 -7.268 1.00 0.00 C ATOM 61 C GLY A 7 7.397 -10.843 -6.129 1.00 0.00 C ATOM 62 O GLY A 7 8.151 -11.383 -5.321 1.00 0.00 O ATOM 0 H GLY A 7 7.649 -13.301 -6.324 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.127 -11.270 -8.226 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.689 -11.522 -7.257 1.00 0.00 H new ATOM 66 N LEU A 8 7.061 -9.561 -6.101 1.00 0.00 N ATOM 67 CA LEU A 8 7.581 -8.674 -5.074 1.00 0.00 C ATOM 68 C LEU A 8 6.604 -8.634 -3.898 1.00 0.00 C ATOM 69 O LEU A 8 5.395 -8.522 -4.094 1.00 0.00 O ATOM 70 CB LEU A 8 7.891 -7.296 -5.663 1.00 0.00 C ATOM 71 CG LEU A 8 8.429 -6.253 -4.682 1.00 0.00 C ATOM 72 CD1 LEU A 8 9.694 -5.588 -5.229 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.351 -5.228 -4.326 1.00 0.00 C ATOM 0 H LEU A 8 6.436 -9.116 -6.773 1.00 0.00 H new ATOM 0 HA LEU A 8 8.528 -9.051 -4.689 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.619 -7.421 -6.465 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.981 -6.904 -6.117 1.00 0.00 H new ATOM 0 HG LEU A 8 8.706 -6.762 -3.759 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.056 -4.851 -4.513 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.462 -6.345 -5.391 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.466 -5.094 -6.174 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.760 -4.498 -3.627 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.020 -4.718 -5.231 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.504 -5.736 -3.866 1.00 0.00 H new ATOM 85 N GLU A 9 7.164 -8.728 -2.701 1.00 0.00 N ATOM 86 CA GLU A 9 6.357 -8.704 -1.493 1.00 0.00 C ATOM 87 C GLU A 9 6.188 -7.267 -0.996 1.00 0.00 C ATOM 88 O GLU A 9 7.103 -6.453 -1.114 1.00 0.00 O ATOM 89 CB GLU A 9 6.969 -9.591 -0.407 1.00 0.00 C ATOM 90 CG GLU A 9 6.034 -9.706 0.799 1.00 0.00 C ATOM 91 CD GLU A 9 6.475 -10.837 1.729 1.00 0.00 C ATOM 92 OE1 GLU A 9 7.387 -10.579 2.544 1.00 0.00 O ATOM 93 OE2 GLU A 9 5.891 -11.935 1.604 1.00 0.00 O ATOM 0 H GLU A 9 8.167 -8.821 -2.542 1.00 0.00 H new ATOM 0 HA GLU A 9 5.371 -9.104 -1.730 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.169 -10.583 -0.812 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.926 -9.177 -0.091 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.023 -8.764 1.347 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.015 -9.888 0.457 1.00 0.00 H new ATOM 100 N VAL A 10 5.011 -6.998 -0.450 1.00 0.00 N ATOM 101 CA VAL A 10 4.711 -5.673 0.066 1.00 0.00 C ATOM 102 C VAL A 10 3.808 -5.801 1.294 1.00 0.00 C ATOM 103 O VAL A 10 2.782 -6.478 1.247 1.00 0.00 O ATOM 104 CB VAL A 10 4.099 -4.808 -1.038 1.00 0.00 C ATOM 105 CG1 VAL A 10 3.827 -3.389 -0.536 1.00 0.00 C ATOM 106 CG2 VAL A 10 4.994 -4.788 -2.279 1.00 0.00 C ATOM 0 H VAL A 10 4.254 -7.675 -0.354 1.00 0.00 H new ATOM 0 HA VAL A 10 5.625 -5.172 0.385 1.00 0.00 H new ATOM 0 HB VAL A 10 3.144 -5.252 -1.320 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.392 -2.796 -1.340 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.132 -3.427 0.303 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.762 -2.932 -0.213 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.536 -4.166 -3.048 1.00 0.00 H new ATOM 0 HG22 VAL A 10 5.970 -4.380 -2.017 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.114 -5.803 -2.657 1.00 0.00 H new ATOM 116 N LEU A 11 4.222 -5.140 2.365 1.00 0.00 N ATOM 117 CA LEU A 11 3.464 -5.171 3.604 1.00 0.00 C ATOM 118 C LEU A 11 2.714 -3.848 3.772 1.00 0.00 C ATOM 119 O LEU A 11 2.962 -2.893 3.037 1.00 0.00 O ATOM 120 CB LEU A 11 4.376 -5.515 4.783 1.00 0.00 C ATOM 121 CG LEU A 11 4.882 -6.958 4.841 1.00 0.00 C ATOM 122 CD1 LEU A 11 5.924 -7.219 3.752 1.00 0.00 C ATOM 123 CD2 LEU A 11 5.412 -7.297 6.236 1.00 0.00 C ATOM 0 H LEU A 11 5.073 -4.579 2.400 1.00 0.00 H new ATOM 0 HA LEU A 11 2.714 -5.961 3.571 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.239 -4.849 4.756 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.838 -5.302 5.707 1.00 0.00 H new ATOM 0 HG LEU A 11 4.041 -7.623 4.646 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.267 -8.252 3.816 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.478 -7.045 2.773 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.771 -6.547 3.890 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.765 -8.328 6.250 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.235 -6.628 6.485 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.613 -7.177 6.968 1.00 0.00 H new ATOM 135 N VAL A 12 1.813 -3.834 4.743 1.00 0.00 N ATOM 136 CA VAL A 12 1.026 -2.644 5.017 1.00 0.00 C ATOM 137 C VAL A 12 0.548 -2.677 6.470 1.00 0.00 C ATOM 138 O VAL A 12 -0.212 -3.564 6.857 1.00 0.00 O ATOM 139 CB VAL A 12 -0.121 -2.533 4.012 1.00 0.00 C ATOM 140 CG1 VAL A 12 -1.159 -1.508 4.475 1.00 0.00 C ATOM 141 CG2 VAL A 12 0.403 -2.189 2.616 1.00 0.00 C ATOM 0 H VAL A 12 1.610 -4.628 5.350 1.00 0.00 H new ATOM 0 HA VAL A 12 1.634 -1.747 4.896 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.611 -3.505 3.956 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.964 -1.449 3.742 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.567 -1.813 5.438 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.686 -0.531 4.575 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.434 -2.116 1.921 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.930 -1.236 2.650 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.086 -2.970 2.281 1.00 0.00 H new ATOM 151 N LYS A 13 1.012 -1.700 7.235 1.00 0.00 N ATOM 152 CA LYS A 13 0.641 -1.606 8.637 1.00 0.00 C ATOM 153 C LYS A 13 -0.289 -0.407 8.835 1.00 0.00 C ATOM 154 O LYS A 13 0.155 0.739 8.794 1.00 0.00 O ATOM 155 CB LYS A 13 1.889 -1.570 9.520 1.00 0.00 C ATOM 156 CG LYS A 13 1.512 -1.595 11.003 1.00 0.00 C ATOM 157 CD LYS A 13 2.756 -1.487 11.887 1.00 0.00 C ATOM 158 CE LYS A 13 2.609 -2.341 13.148 1.00 0.00 C ATOM 159 NZ LYS A 13 2.506 -1.480 14.348 1.00 0.00 N ATOM 0 H LYS A 13 1.642 -0.966 6.911 1.00 0.00 H new ATOM 0 HA LYS A 13 0.087 -2.493 8.945 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.527 -2.423 9.289 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.467 -0.672 9.303 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.833 -0.772 11.223 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.979 -2.518 11.231 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.634 -1.808 11.326 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.919 -0.446 12.166 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.722 -2.970 13.067 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.465 -3.008 13.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.929 -1.958 15.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.457 -1.300 14.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.059 -0.577 14.090 1.00 0.00 H new ATOM 173 N THR A 14 -1.560 -0.713 9.045 1.00 0.00 N ATOM 174 CA THR A 14 -2.556 0.326 9.249 1.00 0.00 C ATOM 175 C THR A 14 -2.351 1.001 10.606 1.00 0.00 C ATOM 176 O THR A 14 -1.369 0.731 11.296 1.00 0.00 O ATOM 177 CB THR A 14 -3.940 -0.307 9.089 1.00 0.00 C ATOM 178 OG1 THR A 14 -3.989 -1.298 10.112 1.00 0.00 O ATOM 179 CG2 THR A 14 -4.071 -1.106 7.791 1.00 0.00 C ATOM 0 H THR A 14 -1.924 -1.665 9.078 1.00 0.00 H new ATOM 0 HA THR A 14 -2.458 1.119 8.508 1.00 0.00 H new ATOM 0 HB THR A 14 -4.701 0.473 9.114 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.854 -1.757 10.082 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.071 -1.534 7.727 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.903 -0.447 6.939 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.332 -1.907 7.781 1.00 0.00 H new ATOM 187 N LEU A 15 -3.293 1.868 10.949 1.00 0.00 N ATOM 188 CA LEU A 15 -3.228 2.584 12.211 1.00 0.00 C ATOM 189 C LEU A 15 -3.898 1.748 13.303 1.00 0.00 C ATOM 190 O LEU A 15 -4.702 2.263 14.079 1.00 0.00 O ATOM 191 CB LEU A 15 -3.819 3.987 12.062 1.00 0.00 C ATOM 192 CG LEU A 15 -3.026 4.959 11.185 1.00 0.00 C ATOM 193 CD1 LEU A 15 -3.919 5.580 10.109 1.00 0.00 C ATOM 194 CD2 LEU A 15 -2.331 6.023 12.036 1.00 0.00 C ATOM 0 H LEU A 15 -4.106 2.090 10.374 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.191 2.730 12.512 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.824 3.895 11.650 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.920 4.425 13.055 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.246 4.397 10.672 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.331 6.267 9.500 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.328 4.792 9.476 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.736 6.124 10.583 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.775 6.701 11.388 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.078 6.587 12.595 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.644 5.541 12.732 1.00 0.00 H new ATOM 206 N ASP A 16 -3.543 0.471 13.327 1.00 0.00 N ATOM 207 CA ASP A 16 -4.101 -0.442 14.311 1.00 0.00 C ATOM 208 C ASP A 16 -3.194 -1.667 14.434 1.00 0.00 C ATOM 209 O ASP A 16 -3.658 -2.756 14.769 1.00 0.00 O ATOM 210 CB ASP A 16 -5.491 -0.923 13.891 1.00 0.00 C ATOM 211 CG ASP A 16 -6.402 -1.352 15.042 1.00 0.00 C ATOM 212 OD1 ASP A 16 -6.487 -0.576 16.018 1.00 0.00 O ATOM 213 OD2 ASP A 16 -6.994 -2.446 14.920 1.00 0.00 O ATOM 0 H ASP A 16 -2.877 0.047 12.681 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.175 0.089 15.260 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.983 -0.124 13.337 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.377 -1.763 13.206 1.00 0.00 H new ATOM 218 N SER A 17 -1.916 -1.449 14.158 1.00 0.00 N ATOM 219 CA SER A 17 -0.940 -2.522 14.234 1.00 0.00 C ATOM 220 C SER A 17 -1.489 -3.778 13.554 1.00 0.00 C ATOM 221 O SER A 17 -1.797 -4.765 14.221 1.00 0.00 O ATOM 222 CB SER A 17 -0.566 -2.825 15.687 1.00 0.00 C ATOM 223 OG SER A 17 0.544 -3.714 15.778 1.00 0.00 O ATOM 0 H SER A 17 -1.534 -0.544 13.881 1.00 0.00 H new ATOM 0 HA SER A 17 -0.037 -2.201 13.715 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.328 -1.894 16.202 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.424 -3.262 16.199 1.00 0.00 H new ATOM 0 HG SER A 17 0.753 -3.881 16.721 1.00 0.00 H new ATOM 229 N GLN A 18 -1.595 -3.700 12.236 1.00 0.00 N ATOM 230 CA GLN A 18 -2.101 -4.819 11.459 1.00 0.00 C ATOM 231 C GLN A 18 -1.319 -4.953 10.150 1.00 0.00 C ATOM 232 O GLN A 18 -1.771 -4.492 9.103 1.00 0.00 O ATOM 233 CB GLN A 18 -3.599 -4.665 11.189 1.00 0.00 C ATOM 234 CG GLN A 18 -4.423 -5.113 12.398 1.00 0.00 C ATOM 235 CD GLN A 18 -5.701 -5.829 11.956 1.00 0.00 C ATOM 236 OE1 GLN A 18 -6.619 -5.237 11.412 1.00 0.00 O ATOM 237 NE2 GLN A 18 -5.709 -7.133 12.219 1.00 0.00 N ATOM 0 H GLN A 18 -1.339 -2.880 11.686 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.961 -5.732 12.038 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.825 -3.625 10.956 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.877 -5.255 10.316 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.827 -5.778 13.023 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.680 -4.247 13.009 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.907 -7.566 12.677 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.517 -7.700 11.963 1.00 0.00 H new ATOM 246 N THR A 19 -0.160 -5.587 10.253 1.00 0.00 N ATOM 247 CA THR A 19 0.689 -5.788 9.091 1.00 0.00 C ATOM 248 C THR A 19 0.133 -6.911 8.213 1.00 0.00 C ATOM 249 O THR A 19 -0.231 -7.973 8.715 1.00 0.00 O ATOM 250 CB THR A 19 2.112 -6.050 9.585 1.00 0.00 C ATOM 251 OG1 THR A 19 2.436 -4.888 10.345 1.00 0.00 O ATOM 252 CG2 THR A 19 3.136 -6.049 8.449 1.00 0.00 C ATOM 0 H THR A 19 0.211 -5.968 11.123 1.00 0.00 H new ATOM 0 HA THR A 19 0.709 -4.902 8.457 1.00 0.00 H new ATOM 0 HB THR A 19 2.145 -7.009 10.103 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.343 -4.975 10.705 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.130 -6.240 8.855 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.882 -6.828 7.730 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.127 -5.079 7.952 1.00 0.00 H new ATOM 260 N ARG A 20 0.087 -6.638 6.917 1.00 0.00 N ATOM 261 CA ARG A 20 -0.417 -7.612 5.965 1.00 0.00 C ATOM 262 C ARG A 20 0.539 -7.737 4.777 1.00 0.00 C ATOM 263 O ARG A 20 0.753 -6.773 4.043 1.00 0.00 O ATOM 264 CB ARG A 20 -1.805 -7.216 5.455 1.00 0.00 C ATOM 265 CG ARG A 20 -2.890 -7.608 6.459 1.00 0.00 C ATOM 266 CD ARG A 20 -4.133 -6.731 6.293 1.00 0.00 C ATOM 267 NE ARG A 20 -4.855 -6.627 7.580 1.00 0.00 N ATOM 268 CZ ARG A 20 -6.089 -6.123 7.711 1.00 0.00 C ATOM 269 NH1 ARG A 20 -6.747 -5.673 6.634 1.00 0.00 N ATOM 270 NH2 ARG A 20 -6.666 -6.068 8.919 1.00 0.00 N ATOM 0 H ARG A 20 0.391 -5.756 6.504 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.491 -8.571 6.479 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.839 -6.141 5.279 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -1.997 -7.702 4.498 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.158 -8.655 6.320 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.504 -7.510 7.474 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.844 -5.738 5.947 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.788 -7.155 5.532 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.383 -6.960 8.421 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.308 -5.714 5.714 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.687 -5.289 6.734 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.165 -6.410 9.739 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.606 -5.684 9.018 1.00 0.00 H new ATOM 284 N THR A 21 1.088 -8.933 4.624 1.00 0.00 N ATOM 285 CA THR A 21 2.016 -9.196 3.537 1.00 0.00 C ATOM 286 C THR A 21 1.257 -9.412 2.227 1.00 0.00 C ATOM 287 O THR A 21 0.256 -10.126 2.196 1.00 0.00 O ATOM 288 CB THR A 21 2.887 -10.389 3.938 1.00 0.00 C ATOM 289 OG1 THR A 21 3.931 -9.811 4.717 1.00 0.00 O ATOM 290 CG2 THR A 21 3.613 -11.011 2.744 1.00 0.00 C ATOM 0 H THR A 21 0.908 -9.730 5.234 1.00 0.00 H new ATOM 0 HA THR A 21 2.669 -8.342 3.360 1.00 0.00 H new ATOM 0 HB THR A 21 2.267 -11.145 4.420 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.542 -10.515 5.020 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.217 -11.853 3.083 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.882 -11.360 2.015 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.259 -10.264 2.282 1.00 0.00 H new ATOM 298 N PHE A 22 1.761 -8.781 1.177 1.00 0.00 N ATOM 299 CA PHE A 22 1.143 -8.894 -0.133 1.00 0.00 C ATOM 300 C PHE A 22 2.188 -9.197 -1.208 1.00 0.00 C ATOM 301 O PHE A 22 3.291 -8.655 -1.177 1.00 0.00 O ATOM 302 CB PHE A 22 0.491 -7.544 -0.438 1.00 0.00 C ATOM 303 CG PHE A 22 -0.728 -7.231 0.432 1.00 0.00 C ATOM 304 CD1 PHE A 22 -1.841 -8.009 0.349 1.00 0.00 C ATOM 305 CD2 PHE A 22 -0.699 -6.175 1.288 1.00 0.00 C ATOM 306 CE1 PHE A 22 -2.972 -7.718 1.156 1.00 0.00 C ATOM 307 CE2 PHE A 22 -1.831 -5.884 2.095 1.00 0.00 C ATOM 308 CZ PHE A 22 -2.943 -6.662 2.013 1.00 0.00 C ATOM 0 H PHE A 22 2.591 -8.189 1.207 1.00 0.00 H new ATOM 0 HA PHE A 22 0.416 -9.706 -0.132 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.232 -6.756 -0.304 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.191 -7.525 -1.486 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.864 -8.848 -0.331 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.185 -5.558 1.354 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.856 -8.335 1.090 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.808 -5.044 2.774 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.803 -6.442 2.628 1.00 0.00 H new ATOM 318 N ILE A 23 1.803 -10.063 -2.135 1.00 0.00 N ATOM 319 CA ILE A 23 2.693 -10.444 -3.218 1.00 0.00 C ATOM 320 C ILE A 23 2.119 -9.942 -4.545 1.00 0.00 C ATOM 321 O ILE A 23 1.166 -10.515 -5.070 1.00 0.00 O ATOM 322 CB ILE A 23 2.953 -11.952 -3.192 1.00 0.00 C ATOM 323 CG1 ILE A 23 3.517 -12.388 -1.839 1.00 0.00 C ATOM 324 CG2 ILE A 23 3.857 -12.372 -4.353 1.00 0.00 C ATOM 325 CD1 ILE A 23 5.023 -12.132 -1.764 1.00 0.00 C ATOM 0 H ILE A 23 0.887 -10.511 -2.158 1.00 0.00 H new ATOM 0 HA ILE A 23 3.668 -9.973 -3.093 1.00 0.00 H new ATOM 0 HB ILE A 23 2.001 -12.465 -3.323 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.012 -11.846 -1.039 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.317 -13.448 -1.682 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.026 -13.448 -4.312 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.378 -12.116 -5.298 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.812 -11.851 -4.278 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.398 -12.451 -0.792 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.527 -12.694 -2.550 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.218 -11.068 -1.897 1.00 0.00 H new ATOM 337 N VAL A 24 2.724 -8.876 -5.048 1.00 0.00 N ATOM 338 CA VAL A 24 2.285 -8.290 -6.304 1.00 0.00 C ATOM 339 C VAL A 24 3.479 -8.176 -7.253 1.00 0.00 C ATOM 340 O VAL A 24 4.629 -8.260 -6.824 1.00 0.00 O ATOM 341 CB VAL A 24 1.599 -6.947 -6.043 1.00 0.00 C ATOM 342 CG1 VAL A 24 0.325 -7.134 -5.216 1.00 0.00 C ATOM 343 CG2 VAL A 24 2.555 -5.966 -5.362 1.00 0.00 C ATOM 0 H VAL A 24 3.514 -8.403 -4.609 1.00 0.00 H new ATOM 0 HA VAL A 24 1.546 -8.930 -6.786 1.00 0.00 H new ATOM 0 HB VAL A 24 1.315 -6.523 -7.006 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.143 -6.165 -5.045 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.367 -7.781 -5.755 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.576 -7.590 -4.258 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.042 -5.020 -5.188 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.884 -6.381 -4.409 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.420 -5.797 -6.003 1.00 0.00 H new ATOM 353 N GLY A 25 3.166 -7.987 -8.527 1.00 0.00 N ATOM 354 CA GLY A 25 4.199 -7.861 -9.541 1.00 0.00 C ATOM 355 C GLY A 25 4.985 -6.560 -9.364 1.00 0.00 C ATOM 356 O GLY A 25 4.409 -5.474 -9.392 1.00 0.00 O ATOM 0 H GLY A 25 2.211 -7.918 -8.880 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.878 -8.711 -9.481 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.746 -7.884 -10.532 1.00 0.00 H new ATOM 360 N ALA A 26 6.289 -6.714 -9.186 1.00 0.00 N ATOM 361 CA ALA A 26 7.160 -5.565 -9.005 1.00 0.00 C ATOM 362 C ALA A 26 6.761 -4.467 -9.993 1.00 0.00 C ATOM 363 O ALA A 26 6.685 -3.295 -9.626 1.00 0.00 O ATOM 364 CB ALA A 26 8.618 -5.998 -9.172 1.00 0.00 C ATOM 0 H ALA A 26 6.763 -7.617 -9.163 1.00 0.00 H new ATOM 0 HA ALA A 26 7.054 -5.158 -7.999 1.00 0.00 H new ATOM 0 HB1 ALA A 26 9.271 -5.136 -9.036 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.860 -6.757 -8.428 1.00 0.00 H new ATOM 0 HB3 ALA A 26 8.763 -6.410 -10.171 1.00 0.00 H new ATOM 370 N GLN A 27 6.518 -4.885 -11.226 1.00 0.00 N ATOM 371 CA GLN A 27 6.129 -3.952 -12.270 1.00 0.00 C ATOM 372 C GLN A 27 4.932 -3.115 -11.814 1.00 0.00 C ATOM 373 O GLN A 27 4.894 -1.906 -12.038 1.00 0.00 O ATOM 374 CB GLN A 27 5.819 -4.687 -13.575 1.00 0.00 C ATOM 375 CG GLN A 27 7.106 -5.117 -14.281 1.00 0.00 C ATOM 376 CD GLN A 27 6.796 -5.848 -15.589 1.00 0.00 C ATOM 377 OE1 GLN A 27 6.426 -5.255 -16.589 1.00 0.00 O ATOM 378 NE2 GLN A 27 6.967 -7.165 -15.527 1.00 0.00 N ATOM 0 H GLN A 27 6.583 -5.858 -11.526 1.00 0.00 H new ATOM 0 HA GLN A 27 6.966 -3.280 -12.460 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.205 -5.563 -13.366 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.238 -4.040 -14.232 1.00 0.00 H new ATOM 0 HG2 GLN A 27 7.722 -4.242 -14.487 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.685 -5.767 -13.625 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.279 -7.598 -14.658 1.00 0.00 H new ATOM 0 HE22 GLN A 27 6.786 -7.742 -16.348 1.00 0.00 H new ATOM 387 N MET A 28 3.984 -3.791 -11.182 1.00 0.00 N ATOM 388 CA MET A 28 2.788 -3.125 -10.693 1.00 0.00 C ATOM 389 C MET A 28 3.117 -1.727 -10.166 1.00 0.00 C ATOM 390 O MET A 28 4.241 -1.469 -9.737 1.00 0.00 O ATOM 391 CB MET A 28 2.161 -3.958 -9.574 1.00 0.00 C ATOM 392 CG MET A 28 0.866 -3.317 -9.073 1.00 0.00 C ATOM 393 SD MET A 28 0.154 -4.313 -7.774 1.00 0.00 S ATOM 394 CE MET A 28 -0.826 -5.442 -8.751 1.00 0.00 C ATOM 0 H MET A 28 4.020 -4.793 -10.997 1.00 0.00 H new ATOM 0 HA MET A 28 2.086 -3.025 -11.521 1.00 0.00 H new ATOM 0 HB2 MET A 28 1.956 -4.965 -9.937 1.00 0.00 H new ATOM 0 HB3 MET A 28 2.866 -4.054 -8.749 1.00 0.00 H new ATOM 0 HG2 MET A 28 1.068 -2.312 -8.703 1.00 0.00 H new ATOM 0 HG3 MET A 28 0.158 -3.217 -9.896 1.00 0.00 H new ATOM 0 HE1 MET A 28 -1.342 -6.140 -8.092 1.00 0.00 H new ATOM 0 HE2 MET A 28 -1.559 -4.880 -9.330 1.00 0.00 H new ATOM 0 HE3 MET A 28 -0.176 -5.996 -9.428 1.00 0.00 H new ATOM 404 N ASN A 29 2.116 -0.860 -10.217 1.00 0.00 N ATOM 405 CA ASN A 29 2.285 0.506 -9.750 1.00 0.00 C ATOM 406 C ASN A 29 1.546 0.681 -8.421 1.00 0.00 C ATOM 407 O ASN A 29 0.658 -0.104 -8.093 1.00 0.00 O ATOM 408 CB ASN A 29 1.701 1.506 -10.750 1.00 0.00 C ATOM 409 CG ASN A 29 0.399 0.979 -11.356 1.00 0.00 C ATOM 410 OD1 ASN A 29 0.286 -0.171 -11.747 1.00 0.00 O ATOM 411 ND2 ASN A 29 -0.576 1.882 -11.411 1.00 0.00 N ATOM 0 H ASN A 29 1.186 -1.077 -10.574 1.00 0.00 H new ATOM 0 HA ASN A 29 3.353 0.693 -9.634 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.515 2.458 -10.252 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.424 1.697 -11.543 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.485 1.628 -11.798 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.415 2.828 -11.066 1.00 0.00 H new ATOM 418 N VAL A 30 1.941 1.715 -7.693 1.00 0.00 N ATOM 419 CA VAL A 30 1.328 2.003 -6.408 1.00 0.00 C ATOM 420 C VAL A 30 -0.195 1.969 -6.555 1.00 0.00 C ATOM 421 O VAL A 30 -0.879 1.269 -5.810 1.00 0.00 O ATOM 422 CB VAL A 30 1.847 3.337 -5.867 1.00 0.00 C ATOM 423 CG1 VAL A 30 1.023 3.799 -4.664 1.00 0.00 C ATOM 424 CG2 VAL A 30 3.332 3.243 -5.512 1.00 0.00 C ATOM 0 H VAL A 30 2.678 2.364 -7.969 1.00 0.00 H new ATOM 0 HA VAL A 30 1.601 1.243 -5.676 1.00 0.00 H new ATOM 0 HB VAL A 30 1.737 4.084 -6.654 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.413 4.749 -4.299 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.018 3.925 -4.962 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.086 3.053 -3.872 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.676 4.204 -5.130 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.476 2.477 -4.750 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.903 2.981 -6.403 1.00 0.00 H new ATOM 434 N LYS A 31 -0.681 2.734 -7.521 1.00 0.00 N ATOM 435 CA LYS A 31 -2.110 2.801 -7.776 1.00 0.00 C ATOM 436 C LYS A 31 -2.674 1.382 -7.866 1.00 0.00 C ATOM 437 O LYS A 31 -3.534 1.000 -7.073 1.00 0.00 O ATOM 438 CB LYS A 31 -2.394 3.656 -9.013 1.00 0.00 C ATOM 439 CG LYS A 31 -3.898 3.746 -9.283 1.00 0.00 C ATOM 440 CD LYS A 31 -4.285 5.144 -9.769 1.00 0.00 C ATOM 441 CE LYS A 31 -5.609 5.112 -10.534 1.00 0.00 C ATOM 442 NZ LYS A 31 -5.691 6.250 -11.476 1.00 0.00 N ATOM 0 H LYS A 31 -0.110 3.313 -8.137 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.622 3.296 -6.951 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.986 4.657 -8.870 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.890 3.227 -9.879 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.182 3.006 -10.031 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.449 3.508 -8.373 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.370 5.819 -8.917 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.499 5.540 -10.412 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.697 4.173 -11.080 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.442 5.152 -9.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.596 6.213 -11.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.628 7.143 -10.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.907 6.194 -12.157 1.00 0.00 H new ATOM 456 N GLU A 32 -2.167 0.638 -8.839 1.00 0.00 N ATOM 457 CA GLU A 32 -2.610 -0.731 -9.043 1.00 0.00 C ATOM 458 C GLU A 32 -2.607 -1.493 -7.716 1.00 0.00 C ATOM 459 O GLU A 32 -3.615 -2.087 -7.335 1.00 0.00 O ATOM 460 CB GLU A 32 -1.741 -1.439 -10.084 1.00 0.00 C ATOM 461 CG GLU A 32 -2.281 -1.209 -11.496 1.00 0.00 C ATOM 462 CD GLU A 32 -1.457 -1.980 -12.530 1.00 0.00 C ATOM 463 OE1 GLU A 32 -1.132 -3.151 -12.238 1.00 0.00 O ATOM 464 OE2 GLU A 32 -1.172 -1.381 -13.589 1.00 0.00 O ATOM 0 H GLU A 32 -1.454 0.958 -9.494 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.631 -0.709 -9.425 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.717 -1.072 -10.018 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.711 -2.508 -9.872 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.323 -1.525 -11.547 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.259 -0.144 -11.729 1.00 0.00 H new ATOM 471 N PHE A 33 -1.464 -1.450 -7.048 1.00 0.00 N ATOM 472 CA PHE A 33 -1.317 -2.129 -5.772 1.00 0.00 C ATOM 473 C PHE A 33 -2.452 -1.754 -4.817 1.00 0.00 C ATOM 474 O PHE A 33 -3.021 -2.620 -4.155 1.00 0.00 O ATOM 475 CB PHE A 33 0.013 -1.669 -5.171 1.00 0.00 C ATOM 476 CG PHE A 33 0.373 -2.359 -3.854 1.00 0.00 C ATOM 477 CD1 PHE A 33 0.747 -3.667 -3.852 1.00 0.00 C ATOM 478 CD2 PHE A 33 0.319 -1.666 -2.686 1.00 0.00 C ATOM 479 CE1 PHE A 33 1.081 -4.308 -2.630 1.00 0.00 C ATOM 480 CE2 PHE A 33 0.654 -2.307 -1.464 1.00 0.00 C ATOM 481 CZ PHE A 33 1.027 -3.615 -1.462 1.00 0.00 C ATOM 0 H PHE A 33 -0.631 -0.955 -7.366 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.345 -3.209 -5.920 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.809 -1.851 -5.894 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.028 -0.592 -5.006 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.790 -4.218 -4.780 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.021 -0.628 -2.687 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.378 -5.346 -2.629 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.613 -1.756 -0.536 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.280 -4.103 -0.532 1.00 0.00 H new ATOM 491 N LYS A 34 -2.746 -0.463 -4.777 1.00 0.00 N ATOM 492 CA LYS A 34 -3.803 0.037 -3.915 1.00 0.00 C ATOM 493 C LYS A 34 -5.101 -0.713 -4.218 1.00 0.00 C ATOM 494 O LYS A 34 -5.718 -1.282 -3.319 1.00 0.00 O ATOM 495 CB LYS A 34 -3.926 1.557 -4.044 1.00 0.00 C ATOM 496 CG LYS A 34 -2.724 2.260 -3.411 1.00 0.00 C ATOM 497 CD LYS A 34 -3.093 3.675 -2.958 1.00 0.00 C ATOM 498 CE LYS A 34 -1.977 4.666 -3.294 1.00 0.00 C ATOM 499 NZ LYS A 34 -2.302 5.413 -4.529 1.00 0.00 N ATOM 0 H LYS A 34 -2.271 0.252 -5.328 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.562 -0.152 -2.869 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.000 1.831 -5.096 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.844 1.893 -3.562 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.368 1.682 -2.558 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.905 2.306 -4.129 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.019 3.986 -3.442 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.278 3.680 -1.884 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.839 5.362 -2.467 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.035 4.132 -3.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.915 6.376 -4.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.885 4.927 -5.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.335 5.461 -4.644 1.00 0.00 H new ATOM 513 N GLU A 35 -5.477 -0.691 -5.488 1.00 0.00 N ATOM 514 CA GLU A 35 -6.691 -1.362 -5.922 1.00 0.00 C ATOM 515 C GLU A 35 -6.652 -2.839 -5.522 1.00 0.00 C ATOM 516 O GLU A 35 -7.673 -3.408 -5.137 1.00 0.00 O ATOM 517 CB GLU A 35 -6.894 -1.208 -7.430 1.00 0.00 C ATOM 518 CG GLU A 35 -6.801 0.261 -7.848 1.00 0.00 C ATOM 519 CD GLU A 35 -7.453 0.484 -9.215 1.00 0.00 C ATOM 520 OE1 GLU A 35 -8.689 0.310 -9.289 1.00 0.00 O ATOM 521 OE2 GLU A 35 -6.701 0.824 -10.153 1.00 0.00 O ATOM 0 H GLU A 35 -4.962 -0.219 -6.231 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.540 -0.893 -5.425 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.142 -1.790 -7.963 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.867 -1.609 -7.713 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.290 0.887 -7.101 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.755 0.567 -7.885 1.00 0.00 H new ATOM 528 N HIS A 36 -5.465 -3.417 -5.627 1.00 0.00 N ATOM 529 CA HIS A 36 -5.280 -4.816 -5.281 1.00 0.00 C ATOM 530 C HIS A 36 -5.675 -5.040 -3.820 1.00 0.00 C ATOM 531 O HIS A 36 -6.541 -5.862 -3.526 1.00 0.00 O ATOM 532 CB HIS A 36 -3.850 -5.266 -5.585 1.00 0.00 C ATOM 533 CG HIS A 36 -3.602 -6.735 -5.335 1.00 0.00 C ATOM 534 ND1 HIS A 36 -2.744 -7.360 -4.478 1.00 0.00 N flip ATOM 535 CD2 HIS A 36 -4.280 -7.735 -6.009 1.00 0.00 C flip ATOM 536 CE1 HIS A 36 -2.891 -8.672 -4.621 1.00 0.00 C flip ATOM 537 NE2 HIS A 36 -3.843 -8.906 -5.570 1.00 0.00 N flip ATOM 0 H HIS A 36 -4.621 -2.942 -5.947 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.932 -5.436 -5.896 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.623 -5.042 -6.627 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -3.159 -4.683 -4.976 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -5.037 -7.586 -6.765 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -2.347 -9.429 -4.076 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -4.162 -9.822 -5.886 1.00 0.00 H new ATOM 545 N ILE A 37 -5.020 -4.293 -2.943 1.00 0.00 N ATOM 546 CA ILE A 37 -5.291 -4.400 -1.519 1.00 0.00 C ATOM 547 C ILE A 37 -6.698 -3.872 -1.232 1.00 0.00 C ATOM 548 O ILE A 37 -7.366 -4.343 -0.313 1.00 0.00 O ATOM 549 CB ILE A 37 -4.196 -3.702 -0.711 1.00 0.00 C ATOM 550 CG1 ILE A 37 -4.225 -2.190 -0.939 1.00 0.00 C ATOM 551 CG2 ILE A 37 -2.822 -4.301 -1.019 1.00 0.00 C ATOM 552 CD1 ILE A 37 -3.280 -1.471 0.027 1.00 0.00 C ATOM 0 H ILE A 37 -4.303 -3.612 -3.191 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.270 -5.443 -1.204 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.392 -3.872 0.348 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.938 -1.968 -1.967 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.241 -1.818 -0.804 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.061 -3.787 -0.432 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.822 -5.361 -0.765 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.603 -4.182 -2.080 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.320 -0.397 -0.157 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.585 -1.675 1.053 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.262 -1.828 -0.127 1.00 0.00 H new ATOM 564 N ALA A 38 -7.107 -2.901 -2.035 1.00 0.00 N ATOM 565 CA ALA A 38 -8.422 -2.303 -1.879 1.00 0.00 C ATOM 566 C ALA A 38 -9.447 -3.404 -1.601 1.00 0.00 C ATOM 567 O ALA A 38 -10.449 -3.169 -0.926 1.00 0.00 O ATOM 568 CB ALA A 38 -8.765 -1.489 -3.127 1.00 0.00 C ATOM 0 H ALA A 38 -6.550 -2.513 -2.797 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.434 -1.618 -1.031 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.752 -1.041 -3.009 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.023 -0.702 -3.264 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.765 -2.143 -3.999 1.00 0.00 H new ATOM 574 N ALA A 39 -9.162 -4.583 -2.135 1.00 0.00 N ATOM 575 CA ALA A 39 -10.047 -5.721 -1.953 1.00 0.00 C ATOM 576 C ALA A 39 -9.991 -6.176 -0.493 1.00 0.00 C ATOM 577 O ALA A 39 -11.026 -6.323 0.155 1.00 0.00 O ATOM 578 CB ALA A 39 -9.655 -6.834 -2.927 1.00 0.00 C ATOM 0 H ALA A 39 -8.330 -4.775 -2.694 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.078 -5.445 -2.173 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.319 -7.688 -2.790 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.740 -6.468 -3.950 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.627 -7.140 -2.735 1.00 0.00 H new ATOM 584 N SER A 40 -8.773 -6.388 -0.019 1.00 0.00 N ATOM 585 CA SER A 40 -8.568 -6.824 1.352 1.00 0.00 C ATOM 586 C SER A 40 -8.889 -5.681 2.318 1.00 0.00 C ATOM 587 O SER A 40 -9.814 -5.785 3.122 1.00 0.00 O ATOM 588 CB SER A 40 -7.135 -7.314 1.566 1.00 0.00 C ATOM 589 OG SER A 40 -6.965 -8.666 1.151 1.00 0.00 O ATOM 0 H SER A 40 -7.917 -6.266 -0.560 1.00 0.00 H new ATOM 0 HA SER A 40 -9.241 -7.658 1.550 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.447 -6.676 1.012 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.875 -7.223 2.621 1.00 0.00 H new ATOM 0 HG SER A 40 -6.036 -8.940 1.302 1.00 0.00 H new ATOM 595 N VAL A 41 -8.106 -4.618 2.207 1.00 0.00 N ATOM 596 CA VAL A 41 -8.295 -3.457 3.060 1.00 0.00 C ATOM 597 C VAL A 41 -9.750 -2.993 2.968 1.00 0.00 C ATOM 598 O VAL A 41 -10.303 -2.476 3.937 1.00 0.00 O ATOM 599 CB VAL A 41 -7.293 -2.363 2.685 1.00 0.00 C ATOM 600 CG1 VAL A 41 -5.858 -2.817 2.959 1.00 0.00 C ATOM 601 CG2 VAL A 41 -7.465 -1.940 1.225 1.00 0.00 C ATOM 0 H VAL A 41 -7.339 -4.536 1.539 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.101 -3.713 4.102 1.00 0.00 H new ATOM 0 HB VAL A 41 -7.495 -1.494 3.312 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.166 -2.021 2.684 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.745 -3.046 4.019 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.639 -3.708 2.370 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.741 -1.162 0.984 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.303 -2.800 0.575 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.474 -1.556 1.074 1.00 0.00 H new ATOM 611 N SER A 42 -10.328 -3.194 1.793 1.00 0.00 N ATOM 612 CA SER A 42 -11.708 -2.803 1.561 1.00 0.00 C ATOM 613 C SER A 42 -11.803 -1.283 1.411 1.00 0.00 C ATOM 614 O SER A 42 -12.876 -0.705 1.573 1.00 0.00 O ATOM 615 CB SER A 42 -12.615 -3.281 2.697 1.00 0.00 C ATOM 616 OG SER A 42 -13.714 -4.049 2.215 1.00 0.00 O ATOM 0 H SER A 42 -9.866 -3.623 0.991 1.00 0.00 H new ATOM 0 HA SER A 42 -12.046 -3.275 0.639 1.00 0.00 H new ATOM 0 HB2 SER A 42 -12.033 -3.880 3.398 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.989 -2.419 3.249 1.00 0.00 H new ATOM 0 HG SER A 42 -14.268 -4.337 2.970 1.00 0.00 H new ATOM 622 N ILE A 43 -10.665 -0.679 1.102 1.00 0.00 N ATOM 623 CA ILE A 43 -10.606 0.762 0.928 1.00 0.00 C ATOM 624 C ILE A 43 -10.202 1.082 -0.513 1.00 0.00 C ATOM 625 O ILE A 43 -9.341 0.413 -1.083 1.00 0.00 O ATOM 626 CB ILE A 43 -9.688 1.392 1.977 1.00 0.00 C ATOM 627 CG1 ILE A 43 -10.008 0.860 3.376 1.00 0.00 C ATOM 628 CG2 ILE A 43 -9.751 2.919 1.916 1.00 0.00 C ATOM 629 CD1 ILE A 43 -8.835 1.088 4.331 1.00 0.00 C ATOM 0 H ILE A 43 -9.776 -1.162 0.968 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.589 1.205 1.090 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.662 1.104 1.750 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -10.898 1.356 3.763 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.235 -0.205 3.321 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -9.089 3.341 2.672 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.436 3.257 0.929 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -10.773 3.249 2.104 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.089 0.701 5.318 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.953 0.570 3.954 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.626 2.155 4.403 1.00 0.00 H new ATOM 641 N PRO A 44 -10.860 2.130 -1.076 1.00 0.00 N ATOM 642 CA PRO A 44 -10.579 2.547 -2.439 1.00 0.00 C ATOM 643 C PRO A 44 -9.247 3.294 -2.520 1.00 0.00 C ATOM 644 O PRO A 44 -8.882 4.023 -1.598 1.00 0.00 O ATOM 645 CB PRO A 44 -11.767 3.405 -2.842 1.00 0.00 C ATOM 646 CG PRO A 44 -12.441 3.819 -1.544 1.00 0.00 C ATOM 647 CD PRO A 44 -11.886 2.945 -0.431 1.00 0.00 C ATOM 0 HA PRO A 44 -10.464 1.704 -3.121 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.444 4.277 -3.410 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.454 2.847 -3.478 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -12.251 4.871 -1.334 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.522 3.700 -1.620 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.465 3.548 0.373 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -12.665 2.324 0.011 1.00 0.00 H new ATOM 655 N SER A 45 -8.556 3.088 -3.632 1.00 0.00 N ATOM 656 CA SER A 45 -7.272 3.734 -3.845 1.00 0.00 C ATOM 657 C SER A 45 -7.394 5.238 -3.595 1.00 0.00 C ATOM 658 O SER A 45 -6.601 5.815 -2.853 1.00 0.00 O ATOM 659 CB SER A 45 -6.752 3.471 -5.260 1.00 0.00 C ATOM 660 OG SER A 45 -7.379 4.313 -6.224 1.00 0.00 O ATOM 0 H SER A 45 -8.861 2.483 -4.395 1.00 0.00 H new ATOM 0 HA SER A 45 -6.556 3.313 -3.139 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.674 3.631 -5.286 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.926 2.427 -5.522 1.00 0.00 H new ATOM 0 HG SER A 45 -7.019 4.116 -7.114 1.00 0.00 H new ATOM 666 N GLU A 46 -8.395 5.832 -4.230 1.00 0.00 N ATOM 667 CA GLU A 46 -8.631 7.258 -4.086 1.00 0.00 C ATOM 668 C GLU A 46 -8.714 7.635 -2.605 1.00 0.00 C ATOM 669 O GLU A 46 -8.531 8.797 -2.246 1.00 0.00 O ATOM 670 CB GLU A 46 -9.898 7.682 -4.831 1.00 0.00 C ATOM 671 CG GLU A 46 -11.153 7.281 -4.052 1.00 0.00 C ATOM 672 CD GLU A 46 -12.380 7.254 -4.965 1.00 0.00 C ATOM 673 OE1 GLU A 46 -12.201 6.884 -6.146 1.00 0.00 O ATOM 674 OE2 GLU A 46 -13.470 7.604 -4.463 1.00 0.00 O ATOM 0 H GLU A 46 -9.051 5.351 -4.845 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.791 7.792 -4.531 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.890 8.761 -4.984 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.915 7.220 -5.818 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.008 6.299 -3.603 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.318 7.984 -3.235 1.00 0.00 H new ATOM 681 N LYS A 47 -8.990 6.631 -1.786 1.00 0.00 N ATOM 682 CA LYS A 47 -9.099 6.843 -0.353 1.00 0.00 C ATOM 683 C LYS A 47 -7.785 6.442 0.320 1.00 0.00 C ATOM 684 O LYS A 47 -7.437 6.970 1.375 1.00 0.00 O ATOM 685 CB LYS A 47 -10.323 6.113 0.205 1.00 0.00 C ATOM 686 CG LYS A 47 -11.554 7.020 0.196 1.00 0.00 C ATOM 687 CD LYS A 47 -12.656 6.459 1.098 1.00 0.00 C ATOM 688 CE LYS A 47 -13.902 6.104 0.284 1.00 0.00 C ATOM 689 NZ LYS A 47 -15.015 7.023 0.613 1.00 0.00 N ATOM 0 H LYS A 47 -9.141 5.668 -2.088 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.259 7.899 -0.136 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.520 5.220 -0.389 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.120 5.780 1.223 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.277 8.019 0.533 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.929 7.120 -0.823 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -12.291 5.572 1.616 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.913 7.192 1.863 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.677 6.163 -0.781 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.198 5.076 0.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.853 6.768 0.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.240 6.947 1.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.735 8.000 0.393 1.00 0.00 H new ATOM 703 N GLN A 48 -7.090 5.512 -0.319 1.00 0.00 N ATOM 704 CA GLN A 48 -5.821 5.035 0.204 1.00 0.00 C ATOM 705 C GLN A 48 -4.698 6.009 -0.157 1.00 0.00 C ATOM 706 O GLN A 48 -4.856 6.843 -1.048 1.00 0.00 O ATOM 707 CB GLN A 48 -5.511 3.627 -0.310 1.00 0.00 C ATOM 708 CG GLN A 48 -6.564 2.625 0.168 1.00 0.00 C ATOM 709 CD GLN A 48 -6.095 1.187 -0.059 1.00 0.00 C ATOM 710 OE1 GLN A 48 -5.473 0.568 0.788 1.00 0.00 O ATOM 711 NE2 GLN A 48 -6.428 0.691 -1.248 1.00 0.00 N ATOM 0 H GLN A 48 -7.382 5.076 -1.194 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.895 4.982 1.290 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.477 3.633 -1.399 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.525 3.318 0.038 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.766 2.782 1.227 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -7.500 2.794 -0.364 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.950 1.264 -1.911 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.161 -0.262 -1.496 1.00 0.00 H new ATOM 720 N ARG A 49 -3.588 5.872 0.554 1.00 0.00 N ATOM 721 CA ARG A 49 -2.439 6.730 0.320 1.00 0.00 C ATOM 722 C ARG A 49 -1.195 6.146 0.992 1.00 0.00 C ATOM 723 O ARG A 49 -0.792 6.599 2.063 1.00 0.00 O ATOM 724 CB ARG A 49 -2.686 8.141 0.859 1.00 0.00 C ATOM 725 CG ARG A 49 -1.493 9.055 0.571 1.00 0.00 C ATOM 726 CD ARG A 49 -1.647 10.399 1.285 1.00 0.00 C ATOM 727 NE ARG A 49 -1.711 11.495 0.293 1.00 0.00 N ATOM 728 CZ ARG A 49 -1.539 12.790 0.592 1.00 0.00 C ATOM 729 NH1 ARG A 49 -1.292 13.158 1.857 1.00 0.00 N ATOM 730 NH2 ARG A 49 -1.615 13.716 -0.373 1.00 0.00 N ATOM 0 H ARG A 49 -3.460 5.180 1.292 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.282 6.787 -0.757 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.585 8.556 0.403 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.864 8.098 1.933 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.572 8.570 0.896 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.406 9.218 -0.503 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.551 10.395 1.894 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.808 10.559 1.962 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.898 11.250 -0.679 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.235 12.453 2.591 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.161 14.143 2.085 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.804 13.435 -1.335 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.484 14.702 -0.145 1.00 0.00 H new ATOM 744 N LEU A 50 -0.620 5.149 0.336 1.00 0.00 N ATOM 745 CA LEU A 50 0.570 4.498 0.857 1.00 0.00 C ATOM 746 C LEU A 50 1.618 5.558 1.198 1.00 0.00 C ATOM 747 O LEU A 50 1.859 6.474 0.412 1.00 0.00 O ATOM 748 CB LEU A 50 1.069 3.432 -0.121 1.00 0.00 C ATOM 749 CG LEU A 50 0.054 2.358 -0.518 1.00 0.00 C ATOM 750 CD1 LEU A 50 0.642 1.407 -1.563 1.00 0.00 C ATOM 751 CD2 LEU A 50 -0.462 1.610 0.712 1.00 0.00 C ATOM 0 H LEU A 50 -0.956 4.776 -0.552 1.00 0.00 H new ATOM 0 HA LEU A 50 0.340 3.968 1.781 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.413 3.931 -1.027 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.935 2.939 0.320 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.803 2.851 -0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.100 0.654 -1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.920 1.971 -2.453 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.526 0.918 -1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.182 0.852 0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.373 1.130 1.223 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.945 2.314 1.390 1.00 0.00 H new ATOM 763 N ILE A 51 2.214 5.400 2.371 1.00 0.00 N ATOM 764 CA ILE A 51 3.231 6.333 2.825 1.00 0.00 C ATOM 765 C ILE A 51 4.381 5.553 3.467 1.00 0.00 C ATOM 766 O ILE A 51 4.163 4.750 4.372 1.00 0.00 O ATOM 767 CB ILE A 51 2.616 7.389 3.745 1.00 0.00 C ATOM 768 CG1 ILE A 51 1.615 8.261 2.985 1.00 0.00 C ATOM 769 CG2 ILE A 51 3.703 8.224 4.425 1.00 0.00 C ATOM 770 CD1 ILE A 51 0.564 8.843 3.933 1.00 0.00 C ATOM 0 H ILE A 51 2.012 4.640 3.020 1.00 0.00 H new ATOM 0 HA ILE A 51 3.649 6.882 1.981 1.00 0.00 H new ATOM 0 HB ILE A 51 2.064 6.876 4.533 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.142 9.070 2.480 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.125 7.669 2.212 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.239 8.967 5.073 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.343 7.573 5.020 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.302 8.728 3.667 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.135 9.459 3.367 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.022 8.031 4.418 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.055 9.454 4.690 1.00 0.00 H new ATOM 782 N TYR A 52 5.582 5.819 2.973 1.00 0.00 N ATOM 783 CA TYR A 52 6.767 5.153 3.486 1.00 0.00 C ATOM 784 C TYR A 52 7.647 6.128 4.271 1.00 0.00 C ATOM 785 O TYR A 52 8.073 7.151 3.739 1.00 0.00 O ATOM 786 CB TYR A 52 7.539 4.661 2.261 1.00 0.00 C ATOM 787 CG TYR A 52 8.872 3.989 2.594 1.00 0.00 C ATOM 788 CD1 TYR A 52 10.023 4.745 2.682 1.00 0.00 C ATOM 789 CD2 TYR A 52 8.924 2.626 2.806 1.00 0.00 C ATOM 790 CE1 TYR A 52 11.278 4.113 2.995 1.00 0.00 C ATOM 791 CE2 TYR A 52 10.179 1.994 3.119 1.00 0.00 C ATOM 792 CZ TYR A 52 11.294 2.768 3.198 1.00 0.00 C ATOM 793 OH TYR A 52 12.480 2.171 3.494 1.00 0.00 O ATOM 0 H TYR A 52 5.759 6.487 2.223 1.00 0.00 H new ATOM 0 HA TYR A 52 6.490 4.341 4.158 1.00 0.00 H new ATOM 0 HB2 TYR A 52 6.916 3.956 1.711 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.725 5.506 1.598 1.00 0.00 H new ATOM 0 HD1 TYR A 52 9.982 5.811 2.516 1.00 0.00 H new ATOM 0 HD2 TYR A 52 8.023 2.034 2.737 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.186 4.693 3.067 1.00 0.00 H new ATOM 0 HE2 TYR A 52 10.234 0.929 3.287 1.00 0.00 H new ATOM 0 HH TYR A 52 12.341 1.208 3.614 1.00 0.00 H new ATOM 803 N GLN A 53 7.892 5.775 5.525 1.00 0.00 N ATOM 804 CA GLN A 53 8.714 6.606 6.389 1.00 0.00 C ATOM 805 C GLN A 53 8.013 7.938 6.667 1.00 0.00 C ATOM 806 O GLN A 53 7.597 8.201 7.794 1.00 0.00 O ATOM 807 CB GLN A 53 10.098 6.832 5.777 1.00 0.00 C ATOM 808 CG GLN A 53 10.965 5.579 5.905 1.00 0.00 C ATOM 809 CD GLN A 53 11.615 5.501 7.288 1.00 0.00 C ATOM 810 OE1 GLN A 53 11.943 6.501 7.906 1.00 0.00 O ATOM 811 NE2 GLN A 53 11.783 4.260 7.738 1.00 0.00 N ATOM 0 H GLN A 53 7.536 4.925 5.963 1.00 0.00 H new ATOM 0 HA GLN A 53 8.853 6.086 7.337 1.00 0.00 H new ATOM 0 HB2 GLN A 53 9.995 7.102 4.726 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.587 7.669 6.274 1.00 0.00 H new ATOM 0 HG2 GLN A 53 10.355 4.692 5.735 1.00 0.00 H new ATOM 0 HG3 GLN A 53 11.738 5.587 5.136 1.00 0.00 H new ATOM 0 HE21 GLN A 53 11.486 3.467 7.170 1.00 0.00 H new ATOM 0 HE22 GLN A 53 12.209 4.102 8.651 1.00 0.00 H new ATOM 820 N GLY A 54 7.904 8.743 5.620 1.00 0.00 N ATOM 821 CA GLY A 54 7.261 10.040 5.738 1.00 0.00 C ATOM 822 C GLY A 54 7.088 10.693 4.365 1.00 0.00 C ATOM 823 O GLY A 54 7.137 11.916 4.245 1.00 0.00 O ATOM 0 H GLY A 54 8.250 8.522 4.686 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.288 9.925 6.215 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.857 10.688 6.381 1.00 0.00 H new ATOM 827 N ARG A 55 6.890 9.848 3.364 1.00 0.00 N ATOM 828 CA ARG A 55 6.709 10.327 2.004 1.00 0.00 C ATOM 829 C ARG A 55 5.526 9.618 1.344 1.00 0.00 C ATOM 830 O ARG A 55 5.403 8.397 1.430 1.00 0.00 O ATOM 831 CB ARG A 55 7.968 10.093 1.166 1.00 0.00 C ATOM 832 CG ARG A 55 8.790 11.378 1.040 1.00 0.00 C ATOM 833 CD ARG A 55 9.847 11.247 -0.057 1.00 0.00 C ATOM 834 NE ARG A 55 11.198 11.436 0.516 1.00 0.00 N ATOM 835 CZ ARG A 55 12.336 11.130 -0.123 1.00 0.00 C ATOM 836 NH1 ARG A 55 12.292 10.617 -1.360 1.00 0.00 N ATOM 837 NH2 ARG A 55 13.517 11.336 0.475 1.00 0.00 N ATOM 0 H ARG A 55 6.851 8.834 3.468 1.00 0.00 H new ATOM 0 HA ARG A 55 6.513 11.398 2.053 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.575 9.313 1.625 1.00 0.00 H new ATOM 0 HB3 ARG A 55 7.688 9.737 0.174 1.00 0.00 H new ATOM 0 HG2 ARG A 55 8.130 12.216 0.816 1.00 0.00 H new ATOM 0 HG3 ARG A 55 9.274 11.599 1.991 1.00 0.00 H new ATOM 0 HD2 ARG A 55 9.776 10.266 -0.526 1.00 0.00 H new ATOM 0 HD3 ARG A 55 9.667 11.987 -0.837 1.00 0.00 H new ATOM 0 HE ARG A 55 11.268 11.824 1.457 1.00 0.00 H new ATOM 0 HH11 ARG A 55 11.393 10.459 -1.815 1.00 0.00 H new ATOM 0 HH12 ARG A 55 13.158 10.384 -1.847 1.00 0.00 H new ATOM 0 HH21 ARG A 55 13.551 11.726 1.417 1.00 0.00 H new ATOM 0 HH22 ARG A 55 14.383 11.103 -0.012 1.00 0.00 H new ATOM 851 N VAL A 56 4.685 10.413 0.699 1.00 0.00 N ATOM 852 CA VAL A 56 3.516 9.876 0.024 1.00 0.00 C ATOM 853 C VAL A 56 3.949 9.203 -1.280 1.00 0.00 C ATOM 854 O VAL A 56 4.458 9.864 -2.184 1.00 0.00 O ATOM 855 CB VAL A 56 2.480 10.982 -0.189 1.00 0.00 C ATOM 856 CG1 VAL A 56 2.881 11.891 -1.353 1.00 0.00 C ATOM 857 CG2 VAL A 56 1.086 10.393 -0.408 1.00 0.00 C ATOM 0 H VAL A 56 4.790 11.425 0.630 1.00 0.00 H new ATOM 0 HA VAL A 56 3.037 9.114 0.639 1.00 0.00 H new ATOM 0 HB VAL A 56 2.448 11.590 0.715 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.128 12.668 -1.483 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.845 12.352 -1.139 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.955 11.301 -2.267 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.369 11.200 -0.557 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.097 9.750 -1.288 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.797 9.808 0.465 1.00 0.00 H new ATOM 867 N LEU A 57 3.731 7.898 -1.336 1.00 0.00 N ATOM 868 CA LEU A 57 4.092 7.129 -2.515 1.00 0.00 C ATOM 869 C LEU A 57 3.198 7.545 -3.685 1.00 0.00 C ATOM 870 O LEU A 57 1.975 7.450 -3.600 1.00 0.00 O ATOM 871 CB LEU A 57 4.048 5.630 -2.211 1.00 0.00 C ATOM 872 CG LEU A 57 4.842 5.170 -0.986 1.00 0.00 C ATOM 873 CD1 LEU A 57 4.171 3.968 -0.318 1.00 0.00 C ATOM 874 CD2 LEU A 57 6.299 4.884 -1.353 1.00 0.00 C ATOM 0 H LEU A 57 3.309 7.353 -0.584 1.00 0.00 H new ATOM 0 HA LEU A 57 5.120 7.342 -2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.007 5.337 -2.075 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.419 5.092 -3.083 1.00 0.00 H new ATOM 0 HG LEU A 57 4.848 5.981 -0.258 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.755 3.661 0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.165 4.243 0.000 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.114 3.142 -1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.841 4.559 -0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.337 4.099 -2.108 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.759 5.790 -1.748 1.00 0.00 H new ATOM 886 N GLN A 58 3.844 7.998 -4.749 1.00 0.00 N ATOM 887 CA GLN A 58 3.123 8.429 -5.935 1.00 0.00 C ATOM 888 C GLN A 58 2.297 7.274 -6.503 1.00 0.00 C ATOM 889 O GLN A 58 2.830 6.198 -6.772 1.00 0.00 O ATOM 890 CB GLN A 58 4.082 8.988 -6.988 1.00 0.00 C ATOM 891 CG GLN A 58 4.110 10.517 -6.948 1.00 0.00 C ATOM 892 CD GLN A 58 4.369 11.024 -5.528 1.00 0.00 C ATOM 893 OE1 GLN A 58 5.441 10.862 -4.969 1.00 0.00 O ATOM 894 NE2 GLN A 58 3.329 11.644 -4.977 1.00 0.00 N ATOM 0 H GLN A 58 4.859 8.076 -4.815 1.00 0.00 H new ATOM 0 HA GLN A 58 2.442 9.231 -5.650 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.085 8.598 -6.815 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.776 8.652 -7.979 1.00 0.00 H new ATOM 0 HG2 GLN A 58 4.886 10.888 -7.617 1.00 0.00 H new ATOM 0 HG3 GLN A 58 3.161 10.911 -7.311 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.460 11.746 -5.501 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.401 12.018 -4.031 1.00 0.00 H new ATOM 903 N ASP A 59 1.008 7.535 -6.670 1.00 0.00 N ATOM 904 CA ASP A 59 0.104 6.530 -7.202 1.00 0.00 C ATOM 905 C ASP A 59 0.621 6.052 -8.560 1.00 0.00 C ATOM 906 O ASP A 59 0.314 4.941 -8.989 1.00 0.00 O ATOM 907 CB ASP A 59 -1.299 7.105 -7.406 1.00 0.00 C ATOM 908 CG ASP A 59 -1.342 8.581 -7.804 1.00 0.00 C ATOM 909 OD1 ASP A 59 -0.423 8.996 -8.543 1.00 0.00 O ATOM 910 OD2 ASP A 59 -2.292 9.262 -7.360 1.00 0.00 O ATOM 0 H ASP A 59 0.569 8.428 -6.446 1.00 0.00 H new ATOM 0 HA ASP A 59 0.057 5.707 -6.489 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.806 6.522 -8.175 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.865 6.976 -6.484 1.00 0.00 H new ATOM 915 N ASP A 60 1.396 6.915 -9.199 1.00 0.00 N ATOM 916 CA ASP A 60 1.959 6.595 -10.500 1.00 0.00 C ATOM 917 C ASP A 60 3.231 5.766 -10.311 1.00 0.00 C ATOM 918 O ASP A 60 3.543 4.906 -11.133 1.00 0.00 O ATOM 919 CB ASP A 60 2.332 7.866 -11.266 1.00 0.00 C ATOM 920 CG ASP A 60 2.177 7.774 -12.786 1.00 0.00 C ATOM 921 OD1 ASP A 60 1.013 7.809 -13.240 1.00 0.00 O ATOM 922 OD2 ASP A 60 3.226 7.671 -13.458 1.00 0.00 O ATOM 0 H ASP A 60 1.648 7.836 -8.840 1.00 0.00 H new ATOM 0 HA ASP A 60 1.210 6.040 -11.065 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.714 8.686 -10.902 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.367 8.120 -11.036 1.00 0.00 H new ATOM 927 N LYS A 61 3.930 6.054 -9.223 1.00 0.00 N ATOM 928 CA LYS A 61 5.161 5.345 -8.915 1.00 0.00 C ATOM 929 C LYS A 61 4.849 3.865 -8.687 1.00 0.00 C ATOM 930 O LYS A 61 3.688 3.488 -8.535 1.00 0.00 O ATOM 931 CB LYS A 61 5.882 6.010 -7.741 1.00 0.00 C ATOM 932 CG LYS A 61 6.985 6.948 -8.235 1.00 0.00 C ATOM 933 CD LYS A 61 8.361 6.289 -8.113 1.00 0.00 C ATOM 934 CE LYS A 61 9.477 7.290 -8.416 1.00 0.00 C ATOM 935 NZ LYS A 61 9.875 8.012 -7.186 1.00 0.00 N ATOM 0 H LYS A 61 3.668 6.768 -8.544 1.00 0.00 H new ATOM 0 HA LYS A 61 5.853 5.399 -9.756 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.166 6.570 -7.140 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.312 5.246 -7.094 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.798 7.219 -9.274 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.968 7.872 -7.657 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.489 5.890 -7.107 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.427 5.446 -8.801 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.338 6.768 -8.833 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.140 8.002 -9.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.633 8.687 -7.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.055 8.526 -6.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.216 7.330 -6.478 1.00 0.00 H new ATOM 949 N LYS A 62 5.906 3.066 -8.672 1.00 0.00 N ATOM 950 CA LYS A 62 5.759 1.635 -8.465 1.00 0.00 C ATOM 951 C LYS A 62 6.415 1.246 -7.139 1.00 0.00 C ATOM 952 O LYS A 62 7.318 1.934 -6.664 1.00 0.00 O ATOM 953 CB LYS A 62 6.300 0.862 -9.669 1.00 0.00 C ATOM 954 CG LYS A 62 5.678 1.370 -10.971 1.00 0.00 C ATOM 955 CD LYS A 62 6.633 1.168 -12.150 1.00 0.00 C ATOM 956 CE LYS A 62 5.860 1.017 -13.462 1.00 0.00 C ATOM 957 NZ LYS A 62 6.740 1.302 -14.617 1.00 0.00 N ATOM 0 H LYS A 62 6.867 3.382 -8.800 1.00 0.00 H new ATOM 0 HA LYS A 62 4.705 1.367 -8.390 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.384 0.966 -9.715 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.086 -0.200 -9.550 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.743 0.843 -11.161 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.434 2.428 -10.873 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.314 2.016 -12.221 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.244 0.282 -11.980 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.461 0.006 -13.542 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.008 1.697 -13.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.200 1.195 -15.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.100 2.275 -14.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.539 0.636 -14.617 1.00 0.00 H new ATOM 971 N LEU A 63 5.936 0.145 -6.578 1.00 0.00 N ATOM 972 CA LEU A 63 6.465 -0.343 -5.316 1.00 0.00 C ATOM 973 C LEU A 63 7.969 -0.585 -5.458 1.00 0.00 C ATOM 974 O LEU A 63 8.768 0.021 -4.746 1.00 0.00 O ATOM 975 CB LEU A 63 5.685 -1.574 -4.850 1.00 0.00 C ATOM 976 CG LEU A 63 4.196 -1.598 -5.200 1.00 0.00 C ATOM 977 CD1 LEU A 63 3.615 -0.182 -5.221 1.00 0.00 C ATOM 978 CD2 LEU A 63 3.954 -2.336 -6.518 1.00 0.00 C ATOM 0 H LEU A 63 5.187 -0.423 -6.975 1.00 0.00 H new ATOM 0 HA LEU A 63 6.335 0.404 -4.533 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.153 -2.460 -5.280 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.785 -1.654 -3.768 1.00 0.00 H new ATOM 0 HG LEU A 63 3.671 -2.150 -4.421 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.555 -0.227 -5.472 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.736 0.275 -4.239 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.140 0.416 -5.967 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.888 -2.338 -6.743 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.493 -1.833 -7.321 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.309 -3.363 -6.430 1.00 0.00 H new ATOM 990 N GLN A 64 8.309 -1.472 -6.382 1.00 0.00 N ATOM 991 CA GLN A 64 9.703 -1.801 -6.626 1.00 0.00 C ATOM 992 C GLN A 64 10.556 -0.531 -6.627 1.00 0.00 C ATOM 993 O GLN A 64 11.657 -0.518 -6.078 1.00 0.00 O ATOM 994 CB GLN A 64 9.863 -2.570 -7.939 1.00 0.00 C ATOM 995 CG GLN A 64 11.275 -3.145 -8.069 1.00 0.00 C ATOM 996 CD GLN A 64 11.592 -3.494 -9.525 1.00 0.00 C ATOM 997 OE1 GLN A 64 10.715 -3.712 -10.344 1.00 0.00 O ATOM 998 NE2 GLN A 64 12.893 -3.535 -9.800 1.00 0.00 N ATOM 0 H GLN A 64 7.643 -1.973 -6.970 1.00 0.00 H new ATOM 0 HA GLN A 64 10.050 -2.447 -5.820 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.132 -3.377 -7.983 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.657 -1.908 -8.780 1.00 0.00 H new ATOM 0 HG2 GLN A 64 12.002 -2.422 -7.698 1.00 0.00 H new ATOM 0 HG3 GLN A 64 11.367 -4.037 -7.449 1.00 0.00 H new ATOM 0 HE21 GLN A 64 13.576 -3.342 -9.067 1.00 0.00 H new ATOM 0 HE22 GLN A 64 13.208 -3.759 -10.744 1.00 0.00 H new ATOM 1007 N GLU A 65 10.016 0.506 -7.250 1.00 0.00 N ATOM 1008 CA GLU A 65 10.713 1.778 -7.330 1.00 0.00 C ATOM 1009 C GLU A 65 11.152 2.231 -5.936 1.00 0.00 C ATOM 1010 O GLU A 65 12.327 2.519 -5.714 1.00 0.00 O ATOM 1011 CB GLU A 65 9.842 2.840 -8.003 1.00 0.00 C ATOM 1012 CG GLU A 65 10.445 3.278 -9.339 1.00 0.00 C ATOM 1013 CD GLU A 65 11.690 4.141 -9.122 1.00 0.00 C ATOM 1014 OE1 GLU A 65 12.484 3.778 -8.228 1.00 0.00 O ATOM 1015 OE2 GLU A 65 11.819 5.145 -9.856 1.00 0.00 O ATOM 0 H GLU A 65 9.103 0.491 -7.704 1.00 0.00 H new ATOM 0 HA GLU A 65 11.603 1.644 -7.944 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.839 2.444 -8.165 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.741 3.703 -7.345 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.705 2.400 -9.930 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.705 3.838 -9.910 1.00 0.00 H new ATOM 1022 N TYR A 66 10.184 2.281 -5.033 1.00 0.00 N ATOM 1023 CA TYR A 66 10.455 2.694 -3.667 1.00 0.00 C ATOM 1024 C TYR A 66 11.219 1.608 -2.907 1.00 0.00 C ATOM 1025 O TYR A 66 11.651 1.824 -1.775 1.00 0.00 O ATOM 1026 CB TYR A 66 9.089 2.896 -3.008 1.00 0.00 C ATOM 1027 CG TYR A 66 8.329 4.124 -3.515 1.00 0.00 C ATOM 1028 CD1 TYR A 66 8.812 5.390 -3.256 1.00 0.00 C ATOM 1029 CD2 TYR A 66 7.160 3.964 -4.231 1.00 0.00 C ATOM 1030 CE1 TYR A 66 8.097 6.545 -3.733 1.00 0.00 C ATOM 1031 CE2 TYR A 66 6.445 5.119 -4.709 1.00 0.00 C ATOM 1032 CZ TYR A 66 6.949 6.353 -4.436 1.00 0.00 C ATOM 1033 OH TYR A 66 6.274 7.444 -4.887 1.00 0.00 O ATOM 0 H TYR A 66 9.210 2.042 -5.221 1.00 0.00 H new ATOM 0 HA TYR A 66 11.063 3.598 -3.653 1.00 0.00 H new ATOM 0 HB2 TYR A 66 8.480 2.008 -3.179 1.00 0.00 H new ATOM 0 HB3 TYR A 66 9.227 2.986 -1.930 1.00 0.00 H new ATOM 0 HD1 TYR A 66 9.727 5.515 -2.695 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.782 2.973 -4.433 1.00 0.00 H new ATOM 0 HE1 TYR A 66 8.464 7.542 -3.537 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.530 5.008 -5.271 1.00 0.00 H new ATOM 0 HH TYR A 66 6.851 7.961 -5.487 1.00 0.00 H new ATOM 1043 N ASN A 67 11.361 0.463 -3.559 1.00 0.00 N ATOM 1044 CA ASN A 67 12.065 -0.657 -2.958 1.00 0.00 C ATOM 1045 C ASN A 67 11.378 -1.042 -1.647 1.00 0.00 C ATOM 1046 O ASN A 67 12.035 -1.195 -0.619 1.00 0.00 O ATOM 1047 CB ASN A 67 13.516 -0.290 -2.641 1.00 0.00 C ATOM 1048 CG ASN A 67 14.415 -0.501 -3.861 1.00 0.00 C ATOM 1049 OD1 ASN A 67 14.233 0.095 -4.910 1.00 0.00 O ATOM 1050 ND2 ASN A 67 15.392 -1.382 -3.667 1.00 0.00 N ATOM 0 H ASN A 67 11.001 0.287 -4.497 1.00 0.00 H new ATOM 0 HA ASN A 67 12.049 -1.484 -3.667 1.00 0.00 H new ATOM 0 HB2 ASN A 67 13.570 0.751 -2.321 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.875 -0.898 -1.811 1.00 0.00 H new ATOM 0 HD21 ASN A 67 16.045 -1.594 -4.421 1.00 0.00 H new ATOM 0 HD22 ASN A 67 15.488 -1.846 -2.764 1.00 0.00 H new ATOM 1057 N VAL A 68 10.063 -1.188 -1.726 1.00 0.00 N ATOM 1058 CA VAL A 68 9.279 -1.553 -0.558 1.00 0.00 C ATOM 1059 C VAL A 68 9.139 -3.075 -0.498 1.00 0.00 C ATOM 1060 O VAL A 68 8.232 -3.594 0.150 1.00 0.00 O ATOM 1061 CB VAL A 68 7.932 -0.829 -0.586 1.00 0.00 C ATOM 1062 CG1 VAL A 68 8.124 0.689 -0.578 1.00 0.00 C ATOM 1063 CG2 VAL A 68 7.097 -1.270 -1.790 1.00 0.00 C ATOM 0 H VAL A 68 9.521 -1.060 -2.581 1.00 0.00 H new ATOM 0 HA VAL A 68 9.784 -1.237 0.355 1.00 0.00 H new ATOM 0 HB VAL A 68 7.387 -1.102 0.318 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.151 1.179 -0.598 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.660 0.983 0.325 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.699 0.988 -1.455 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.144 -0.740 -1.786 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.636 -1.041 -2.710 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.915 -2.343 -1.733 1.00 0.00 H new ATOM 1073 N GLY A 69 10.052 -3.749 -1.183 1.00 0.00 N ATOM 1074 CA GLY A 69 10.042 -5.202 -1.216 1.00 0.00 C ATOM 1075 C GLY A 69 10.316 -5.783 0.172 1.00 0.00 C ATOM 1076 O GLY A 69 11.417 -5.640 0.703 1.00 0.00 O ATOM 0 H GLY A 69 10.803 -3.315 -1.719 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.076 -5.555 -1.578 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.795 -5.559 -1.919 1.00 0.00 H new ATOM 1080 N GLY A 70 9.297 -6.428 0.721 1.00 0.00 N ATOM 1081 CA GLY A 70 9.415 -7.032 2.037 1.00 0.00 C ATOM 1082 C GLY A 70 9.474 -5.962 3.129 1.00 0.00 C ATOM 1083 O GLY A 70 9.656 -6.277 4.304 1.00 0.00 O ATOM 0 H GLY A 70 8.386 -6.545 0.278 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.566 -7.692 2.215 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.313 -7.649 2.079 1.00 0.00 H new ATOM 1087 N LYS A 71 9.316 -4.717 2.702 1.00 0.00 N ATOM 1088 CA LYS A 71 9.349 -3.598 3.628 1.00 0.00 C ATOM 1089 C LYS A 71 7.952 -3.385 4.214 1.00 0.00 C ATOM 1090 O LYS A 71 6.980 -3.974 3.741 1.00 0.00 O ATOM 1091 CB LYS A 71 9.926 -2.356 2.947 1.00 0.00 C ATOM 1092 CG LYS A 71 11.399 -2.562 2.587 1.00 0.00 C ATOM 1093 CD LYS A 71 12.301 -2.291 3.794 1.00 0.00 C ATOM 1094 CE LYS A 71 13.764 -2.594 3.463 1.00 0.00 C ATOM 1095 NZ LYS A 71 14.665 -1.814 4.340 1.00 0.00 N ATOM 0 H LYS A 71 9.165 -4.459 1.727 1.00 0.00 H new ATOM 0 HA LYS A 71 10.016 -3.814 4.463 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.355 -2.133 2.045 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.827 -1.495 3.608 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.552 -3.582 2.236 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.673 -1.898 1.767 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.202 -1.250 4.100 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.981 -2.903 4.637 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.958 -3.659 3.587 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.964 -2.353 2.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.654 -2.031 4.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.491 -0.798 4.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.485 -2.064 5.333 1.00 0.00 H new ATOM 1109 N VAL A 72 7.895 -2.542 5.234 1.00 0.00 N ATOM 1110 CA VAL A 72 6.632 -2.244 5.889 1.00 0.00 C ATOM 1111 C VAL A 72 6.216 -0.810 5.557 1.00 0.00 C ATOM 1112 O VAL A 72 6.899 0.141 5.934 1.00 0.00 O ATOM 1113 CB VAL A 72 6.750 -2.500 7.393 1.00 0.00 C ATOM 1114 CG1 VAL A 72 5.580 -1.868 8.150 1.00 0.00 C ATOM 1115 CG2 VAL A 72 6.850 -3.997 7.689 1.00 0.00 C ATOM 0 H VAL A 72 8.703 -2.056 5.623 1.00 0.00 H new ATOM 0 HA VAL A 72 5.846 -2.903 5.521 1.00 0.00 H new ATOM 0 HB VAL A 72 7.669 -2.028 7.742 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.688 -2.065 9.217 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.574 -0.792 7.978 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.643 -2.297 7.795 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.933 -4.150 8.765 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.958 -4.502 7.318 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.731 -4.408 7.195 1.00 0.00 H new ATOM 1125 N ILE A 73 5.099 -0.699 4.854 1.00 0.00 N ATOM 1126 CA ILE A 73 4.584 0.603 4.467 1.00 0.00 C ATOM 1127 C ILE A 73 3.544 1.061 5.492 1.00 0.00 C ATOM 1128 O ILE A 73 3.172 0.302 6.385 1.00 0.00 O ATOM 1129 CB ILE A 73 4.057 0.566 3.031 1.00 0.00 C ATOM 1130 CG1 ILE A 73 4.915 -0.350 2.156 1.00 0.00 C ATOM 1131 CG2 ILE A 73 3.948 1.977 2.450 1.00 0.00 C ATOM 1132 CD1 ILE A 73 4.262 -0.574 0.791 1.00 0.00 C ATOM 0 H ILE A 73 4.536 -1.490 4.542 1.00 0.00 H new ATOM 0 HA ILE A 73 5.383 1.344 4.470 1.00 0.00 H new ATOM 0 HB ILE A 73 3.051 0.146 3.047 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.903 0.090 2.022 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.058 -1.308 2.656 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.571 1.922 1.429 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.264 2.569 3.058 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.931 2.447 2.449 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.892 -1.228 0.189 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.284 -1.036 0.927 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.143 0.383 0.283 1.00 0.00 H new ATOM 1144 N HIS A 74 3.104 2.300 5.328 1.00 0.00 N ATOM 1145 CA HIS A 74 2.114 2.868 6.228 1.00 0.00 C ATOM 1146 C HIS A 74 0.930 3.399 5.418 1.00 0.00 C ATOM 1147 O HIS A 74 0.940 4.546 4.975 1.00 0.00 O ATOM 1148 CB HIS A 74 2.745 3.934 7.125 1.00 0.00 C ATOM 1149 CG HIS A 74 3.649 3.377 8.199 1.00 0.00 C ATOM 1150 ND1 HIS A 74 3.173 2.910 9.412 1.00 0.00 N ATOM 1151 CD2 HIS A 74 5.003 3.215 8.229 1.00 0.00 C ATOM 1152 CE1 HIS A 74 4.203 2.490 10.132 1.00 0.00 C ATOM 1153 NE2 HIS A 74 5.336 2.681 9.397 1.00 0.00 N ATOM 0 H HIS A 74 3.415 2.927 4.585 1.00 0.00 H new ATOM 0 HA HIS A 74 1.735 2.093 6.895 1.00 0.00 H new ATOM 0 HB2 HIS A 74 3.317 4.624 6.505 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.951 4.513 7.597 1.00 0.00 H new ATOM 0 HD2 HIS A 74 5.688 3.477 7.436 1.00 0.00 H new ATOM 0 HE1 HIS A 74 4.154 2.070 11.126 1.00 0.00 H new ATOM 0 HE2 HIS A 74 6.284 2.451 9.696 1.00 0.00 H new ATOM 1161 N LEU A 75 -0.064 2.538 5.249 1.00 0.00 N ATOM 1162 CA LEU A 75 -1.253 2.907 4.501 1.00 0.00 C ATOM 1163 C LEU A 75 -2.194 3.703 5.407 1.00 0.00 C ATOM 1164 O LEU A 75 -2.244 3.471 6.614 1.00 0.00 O ATOM 1165 CB LEU A 75 -1.901 1.667 3.880 1.00 0.00 C ATOM 1166 CG LEU A 75 -3.401 1.765 3.597 1.00 0.00 C ATOM 1167 CD1 LEU A 75 -3.668 2.576 2.327 1.00 0.00 C ATOM 1168 CD2 LEU A 75 -4.039 0.375 3.534 1.00 0.00 C ATOM 0 H LEU A 75 -0.070 1.587 5.617 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.991 3.555 3.665 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.389 1.444 2.944 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.732 0.821 4.546 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.870 2.298 4.424 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.742 2.630 2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.269 3.583 2.448 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.183 2.093 1.478 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.106 0.473 3.332 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.571 -0.205 2.739 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.896 -0.135 4.487 1.00 0.00 H new ATOM 1180 N VAL A 76 -2.917 4.626 4.790 1.00 0.00 N ATOM 1181 CA VAL A 76 -3.854 5.459 5.526 1.00 0.00 C ATOM 1182 C VAL A 76 -5.222 5.407 4.842 1.00 0.00 C ATOM 1183 O VAL A 76 -5.305 5.327 3.617 1.00 0.00 O ATOM 1184 CB VAL A 76 -3.303 6.880 5.653 1.00 0.00 C ATOM 1185 CG1 VAL A 76 -2.014 6.896 6.478 1.00 0.00 C ATOM 1186 CG2 VAL A 76 -3.080 7.507 4.276 1.00 0.00 C ATOM 0 H VAL A 76 -2.873 4.816 3.789 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.983 5.083 6.541 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.045 7.481 6.178 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.643 7.918 6.553 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.216 6.509 7.477 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.263 6.272 5.992 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.688 8.517 4.395 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.367 6.905 3.713 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.026 7.547 3.737 1.00 0.00 H new ATOM 1196 N GLU A 77 -6.261 5.455 5.663 1.00 0.00 N ATOM 1197 CA GLU A 77 -7.620 5.414 5.153 1.00 0.00 C ATOM 1198 C GLU A 77 -8.325 6.747 5.414 1.00 0.00 C ATOM 1199 O GLU A 77 -8.481 7.156 6.563 1.00 0.00 O ATOM 1200 CB GLU A 77 -8.402 4.251 5.767 1.00 0.00 C ATOM 1201 CG GLU A 77 -9.805 4.156 5.165 1.00 0.00 C ATOM 1202 CD GLU A 77 -10.855 3.930 6.255 1.00 0.00 C ATOM 1203 OE1 GLU A 77 -10.678 4.516 7.344 1.00 0.00 O ATOM 1204 OE2 GLU A 77 -11.812 3.175 5.974 1.00 0.00 O ATOM 0 H GLU A 77 -6.188 5.522 6.678 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.578 5.252 4.076 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.866 3.317 5.597 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.474 4.386 6.846 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -10.033 5.072 4.619 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.841 3.338 4.445 1.00 0.00 H new ATOM 1211 N ARG A 78 -8.732 7.387 4.327 1.00 0.00 N ATOM 1212 CA ARG A 78 -9.416 8.665 4.425 1.00 0.00 C ATOM 1213 C ARG A 78 -10.679 8.528 5.278 1.00 0.00 C ATOM 1214 O ARG A 78 -11.451 7.586 5.103 1.00 0.00 O ATOM 1215 CB ARG A 78 -9.800 9.191 3.040 1.00 0.00 C ATOM 1216 CG ARG A 78 -8.645 9.975 2.412 1.00 0.00 C ATOM 1217 CD ARG A 78 -9.033 11.437 2.187 1.00 0.00 C ATOM 1218 NE ARG A 78 -7.890 12.320 2.511 1.00 0.00 N ATOM 1219 CZ ARG A 78 -7.962 13.657 2.553 1.00 0.00 C ATOM 1220 NH1 ARG A 78 -9.123 14.274 2.292 1.00 0.00 N ATOM 1221 NH2 ARG A 78 -6.874 14.378 2.857 1.00 0.00 N ATOM 0 H ARG A 78 -8.601 7.045 3.375 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.732 9.372 4.894 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -10.073 8.357 2.393 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.678 9.832 3.121 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.770 9.923 3.060 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.365 9.519 1.462 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.336 11.586 1.151 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.890 11.694 2.810 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.991 11.883 2.715 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.951 13.725 2.061 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.178 15.292 2.324 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.991 13.909 3.056 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.929 15.396 2.889 1.00 0.00 H new ATOM 1235 N ALA A 79 -10.850 9.481 6.182 1.00 0.00 N ATOM 1236 CA ALA A 79 -12.006 9.478 7.063 1.00 0.00 C ATOM 1237 C ALA A 79 -11.986 8.209 7.918 1.00 0.00 C ATOM 1238 O ALA A 79 -12.283 7.121 7.428 1.00 0.00 O ATOM 1239 CB ALA A 79 -13.283 9.600 6.230 1.00 0.00 C ATOM 0 H ALA A 79 -10.208 10.261 6.324 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.976 10.332 7.740 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -14.150 9.598 6.891 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.261 10.531 5.664 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.350 8.758 5.541 1.00 0.00 H new ATOM 1245 N PRO A 80 -11.625 8.396 9.216 1.00 0.00 N ATOM 1246 CA PRO A 80 -11.564 7.280 10.144 1.00 0.00 C ATOM 1247 C PRO A 80 -12.967 6.836 10.562 1.00 0.00 C ATOM 1248 O PRO A 80 -13.281 6.798 11.751 1.00 0.00 O ATOM 1249 CB PRO A 80 -10.728 7.783 11.310 1.00 0.00 C ATOM 1250 CG PRO A 80 -10.743 9.300 11.210 1.00 0.00 C ATOM 1251 CD PRO A 80 -11.268 9.671 9.832 1.00 0.00 C ATOM 0 HA PRO A 80 -11.114 6.391 9.703 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -11.144 7.450 12.261 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -9.710 7.398 11.255 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -11.376 9.728 11.988 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -9.741 9.702 11.358 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -12.131 10.333 9.902 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -10.512 10.195 9.248 1.00 0.00 H new ATOM 1259 N SER A 81 -13.773 6.513 9.562 1.00 0.00 N ATOM 1260 CA SER A 81 -15.136 6.073 9.811 1.00 0.00 C ATOM 1261 C SER A 81 -15.595 5.134 8.694 1.00 0.00 C ATOM 1262 O SER A 81 -15.354 5.399 7.517 1.00 0.00 O ATOM 1263 CB SER A 81 -16.087 7.266 9.926 1.00 0.00 C ATOM 1264 OG SER A 81 -17.449 6.881 9.761 1.00 0.00 O ATOM 0 H SER A 81 -13.509 6.547 8.577 1.00 0.00 H new ATOM 0 HA SER A 81 -15.154 5.535 10.759 1.00 0.00 H new ATOM 0 HB2 SER A 81 -15.959 7.739 10.900 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.827 8.011 9.174 1.00 0.00 H new ATOM 0 HG SER A 81 -18.024 7.670 9.843 1.00 0.00 H new ATOM 1270 N GLY A 82 -16.249 4.056 9.102 1.00 0.00 N ATOM 1271 CA GLY A 82 -16.744 3.077 8.150 1.00 0.00 C ATOM 1272 C GLY A 82 -16.588 1.655 8.695 1.00 0.00 C ATOM 1273 O GLY A 82 -15.507 1.074 8.623 1.00 0.00 O ATOM 0 H GLY A 82 -16.447 3.839 10.079 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -17.794 3.274 7.933 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -16.201 3.172 7.210 1.00 0.00 H new ATOM 1277 N PRO A 83 -17.714 1.123 9.243 1.00 0.00 N ATOM 1278 CA PRO A 83 -17.712 -0.219 9.800 1.00 0.00 C ATOM 1279 C PRO A 83 -17.712 -1.273 8.691 1.00 0.00 C ATOM 1280 O PRO A 83 -18.314 -1.070 7.637 1.00 0.00 O ATOM 1281 CB PRO A 83 -18.951 -0.281 10.678 1.00 0.00 C ATOM 1282 CG PRO A 83 -19.845 0.859 10.220 1.00 0.00 C ATOM 1283 CD PRO A 83 -19.012 1.783 9.346 1.00 0.00 C ATOM 0 HA PRO A 83 -16.816 -0.432 10.382 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -19.457 -1.241 10.572 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -18.689 -0.173 11.731 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -20.699 0.474 9.663 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -20.242 1.401 11.078 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -19.467 1.917 8.365 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -18.919 2.773 9.792 1.00 0.00 H new ATOM 1291 N SER A 84 -17.030 -2.375 8.966 1.00 0.00 N ATOM 1292 CA SER A 84 -16.944 -3.461 8.004 1.00 0.00 C ATOM 1293 C SER A 84 -17.649 -4.703 8.553 1.00 0.00 C ATOM 1294 O SER A 84 -17.260 -5.234 9.592 1.00 0.00 O ATOM 1295 CB SER A 84 -15.487 -3.783 7.667 1.00 0.00 C ATOM 1296 OG SER A 84 -14.999 -2.985 6.592 1.00 0.00 O ATOM 0 H SER A 84 -16.532 -2.539 9.841 1.00 0.00 H new ATOM 0 HA SER A 84 -17.440 -3.146 7.086 1.00 0.00 H new ATOM 0 HB2 SER A 84 -14.867 -3.622 8.549 1.00 0.00 H new ATOM 0 HB3 SER A 84 -15.400 -4.837 7.404 1.00 0.00 H new ATOM 0 HG SER A 84 -14.065 -3.219 6.408 1.00 0.00 H new ATOM 1302 N SER A 85 -18.674 -5.130 7.830 1.00 0.00 N ATOM 1303 CA SER A 85 -19.437 -6.300 8.232 1.00 0.00 C ATOM 1304 C SER A 85 -19.052 -7.499 7.364 1.00 0.00 C ATOM 1305 O SER A 85 -19.163 -7.445 6.140 1.00 0.00 O ATOM 1306 CB SER A 85 -20.941 -6.036 8.136 1.00 0.00 C ATOM 1307 OG SER A 85 -21.385 -5.960 6.783 1.00 0.00 O ATOM 0 H SER A 85 -18.994 -4.687 6.969 1.00 0.00 H new ATOM 0 HA SER A 85 -19.200 -6.522 9.273 1.00 0.00 H new ATOM 0 HB2 SER A 85 -21.482 -6.830 8.651 1.00 0.00 H new ATOM 0 HB3 SER A 85 -21.179 -5.104 8.648 1.00 0.00 H new ATOM 0 HG SER A 85 -20.715 -6.368 6.196 1.00 0.00 H new ATOM 1313 N GLY A 86 -18.608 -8.554 8.031 1.00 0.00 N ATOM 1314 CA GLY A 86 -18.206 -9.765 7.336 1.00 0.00 C ATOM 1315 C GLY A 86 -16.901 -10.320 7.911 1.00 0.00 C ATOM 1316 O GLY A 86 -16.918 -11.267 8.695 1.00 0.00 O ATOM 0 H GLY A 86 -18.518 -8.595 9.046 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -18.993 -10.515 7.420 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -18.079 -9.554 6.274 1.00 0.00 H new TER 1320 GLY A 86