USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 771 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 8 GLN : amide:sc=-0.00455 X(o=-0.0046,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -163:sc=-0.00814 (180deg=-0.151) USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.375 X(o=-0.38,f=0.12!) USER MOD Single : A 19 GLN : amide:sc= -0.0942 K(o=-0.094,f=-2!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -159:sc= -0.0302 (180deg=-0.613) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 167:sc= -0.142 (180deg=-0.874) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00248 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -160:sc= 0.56 (180deg=0.338) USER MOD Single : A 43 SER OG : rot 70:sc= 1.05 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -0.569 USER MOD Single : A 57 TYR OH : rot -77:sc= 1.31 USER MOD Single : A 59 SER OG : rot 40:sc= 0.224 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 170:sc=-0.00147 (180deg=-0.146) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN :FLIP amide:sc= -3.05 F(o=-6.7!,f=-3.1) USER MOD Single : A 74 GLN : amide:sc= -0.989 K(o=-0.99,f=-3.1!) USER MOD Single : A 77 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 79 TYR OH : rot 65:sc= -0.0326 USER MOD Single : A 80 SER OG : rot -53:sc= 0.786 USER MOD Single : A 83 ASN : amide:sc=-0.00314 X(o=-0.0031,f=-0.07) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -14:sc= 0.437! USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.429 -1.915 -21.980 1.00 0.00 N ATOM 2 CA GLY A 1 0.272 -1.063 -22.182 1.00 0.00 C ATOM 3 C GLY A 1 0.088 -0.060 -21.061 1.00 0.00 C ATOM 4 O GLY A 1 -0.063 -0.438 -19.899 1.00 0.00 O ATOM 0 H1 GLY A 1 1.511 -2.583 -22.773 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.287 -1.329 -21.930 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.319 -2.444 -21.092 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.377 -0.531 -23.128 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.622 -1.682 -22.262 1.00 0.00 H new ATOM 8 N SER A 2 0.101 1.223 -21.408 1.00 0.00 N ATOM 9 CA SER A 2 -0.061 2.284 -20.421 1.00 0.00 C ATOM 10 C SER A 2 -1.515 2.389 -19.969 1.00 0.00 C ATOM 11 O SER A 2 -2.339 3.016 -20.633 1.00 0.00 O ATOM 12 CB SER A 2 0.403 3.622 -20.999 1.00 0.00 C ATOM 13 OG SER A 2 1.817 3.708 -21.014 1.00 0.00 O ATOM 0 H SER A 2 0.222 1.553 -22.366 1.00 0.00 H new ATOM 0 HA SER A 2 0.553 2.038 -19.555 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.018 3.737 -22.012 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.008 4.440 -20.407 1.00 0.00 H new ATOM 0 HG SER A 2 2.088 4.572 -21.389 1.00 0.00 H new ATOM 19 N SER A 3 -1.821 1.769 -18.834 1.00 0.00 N ATOM 20 CA SER A 3 -3.175 1.788 -18.294 1.00 0.00 C ATOM 21 C SER A 3 -3.339 2.914 -17.277 1.00 0.00 C ATOM 22 O SER A 3 -2.965 2.774 -16.113 1.00 0.00 O ATOM 23 CB SER A 3 -3.506 0.444 -17.641 1.00 0.00 C ATOM 24 OG SER A 3 -4.042 -0.464 -18.587 1.00 0.00 O ATOM 0 H SER A 3 -1.150 1.247 -18.271 1.00 0.00 H new ATOM 0 HA SER A 3 -3.866 1.963 -19.119 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.606 0.021 -17.196 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.221 0.595 -16.832 1.00 0.00 H new ATOM 0 HG SER A 3 -4.244 -1.315 -18.145 1.00 0.00 H new ATOM 30 N GLY A 4 -3.901 4.032 -17.727 1.00 0.00 N ATOM 31 CA GLY A 4 -4.104 5.167 -16.845 1.00 0.00 C ATOM 32 C GLY A 4 -3.473 6.437 -17.380 1.00 0.00 C ATOM 33 O GLY A 4 -2.249 6.540 -17.469 1.00 0.00 O ATOM 0 H GLY A 4 -4.219 4.172 -18.686 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.173 5.327 -16.704 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.684 4.941 -15.865 1.00 0.00 H new ATOM 37 N SER A 5 -4.309 7.406 -17.739 1.00 0.00 N ATOM 38 CA SER A 5 -3.825 8.674 -18.273 1.00 0.00 C ATOM 39 C SER A 5 -2.774 9.286 -17.352 1.00 0.00 C ATOM 40 O SER A 5 -1.627 9.490 -17.749 1.00 0.00 O ATOM 41 CB SER A 5 -4.989 9.650 -18.458 1.00 0.00 C ATOM 42 OG SER A 5 -5.673 9.404 -19.674 1.00 0.00 O ATOM 0 H SER A 5 -5.324 7.337 -17.670 1.00 0.00 H new ATOM 0 HA SER A 5 -3.364 8.480 -19.242 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.682 9.557 -17.622 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.614 10.674 -18.449 1.00 0.00 H new ATOM 0 HG SER A 5 -6.413 10.040 -19.767 1.00 0.00 H new ATOM 48 N SER A 6 -3.175 9.577 -16.118 1.00 0.00 N ATOM 49 CA SER A 6 -2.270 10.169 -15.140 1.00 0.00 C ATOM 50 C SER A 6 -2.009 9.205 -13.987 1.00 0.00 C ATOM 51 O SER A 6 -2.622 9.308 -12.926 1.00 0.00 O ATOM 52 CB SER A 6 -2.852 11.478 -14.603 1.00 0.00 C ATOM 53 OG SER A 6 -2.703 12.527 -15.544 1.00 0.00 O ATOM 0 H SER A 6 -4.120 9.412 -15.772 1.00 0.00 H new ATOM 0 HA SER A 6 -1.323 10.377 -15.638 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.908 11.341 -14.370 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.353 11.747 -13.672 1.00 0.00 H new ATOM 0 HG SER A 6 -3.084 13.352 -15.177 1.00 0.00 H new ATOM 59 N GLY A 7 -1.092 8.266 -14.206 1.00 0.00 N ATOM 60 CA GLY A 7 -0.765 7.296 -13.177 1.00 0.00 C ATOM 61 C GLY A 7 -0.433 5.933 -13.751 1.00 0.00 C ATOM 62 O GLY A 7 -0.883 5.587 -14.843 1.00 0.00 O ATOM 0 H GLY A 7 -0.571 8.160 -15.076 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.083 7.659 -12.596 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.606 7.203 -12.490 1.00 0.00 H new ATOM 66 N GLN A 8 0.356 5.158 -13.014 1.00 0.00 N ATOM 67 CA GLN A 8 0.749 3.826 -13.458 1.00 0.00 C ATOM 68 C GLN A 8 0.757 2.844 -12.291 1.00 0.00 C ATOM 69 O GLN A 8 0.747 3.246 -11.127 1.00 0.00 O ATOM 70 CB GLN A 8 2.132 3.871 -14.111 1.00 0.00 C ATOM 71 CG GLN A 8 3.242 4.285 -13.159 1.00 0.00 C ATOM 72 CD GLN A 8 4.401 4.955 -13.870 1.00 0.00 C ATOM 73 OE1 GLN A 8 5.495 4.398 -13.959 1.00 0.00 O ATOM 74 NE2 GLN A 8 4.166 6.158 -14.381 1.00 0.00 N ATOM 0 H GLN A 8 0.736 5.429 -12.107 1.00 0.00 H new ATOM 0 HA GLN A 8 0.019 3.485 -14.192 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.364 2.887 -14.520 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.106 4.567 -14.950 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.838 4.966 -12.410 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.606 3.406 -12.627 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.243 6.582 -14.284 1.00 0.00 H new ATOM 0 HE22 GLN A 8 4.908 6.658 -14.871 1.00 0.00 H new ATOM 83 N LEU A 9 0.773 1.555 -12.610 1.00 0.00 N ATOM 84 CA LEU A 9 0.782 0.513 -11.589 1.00 0.00 C ATOM 85 C LEU A 9 2.187 0.307 -11.033 1.00 0.00 C ATOM 86 O LEU A 9 3.146 0.138 -11.788 1.00 0.00 O ATOM 87 CB LEU A 9 0.251 -0.800 -12.166 1.00 0.00 C ATOM 88 CG LEU A 9 -1.249 -1.049 -11.998 1.00 0.00 C ATOM 89 CD1 LEU A 9 -2.017 -0.500 -13.190 1.00 0.00 C ATOM 90 CD2 LEU A 9 -1.526 -2.535 -11.821 1.00 0.00 C ATOM 0 H LEU A 9 0.780 1.206 -13.568 1.00 0.00 H new ATOM 0 HA LEU A 9 0.132 0.833 -10.774 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.487 -0.828 -13.230 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.790 -1.624 -11.698 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.587 -0.528 -11.102 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.082 -0.686 -13.053 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.844 0.573 -13.272 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.676 -0.993 -14.101 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.598 -2.694 -11.703 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.173 -3.078 -12.698 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.006 -2.899 -10.935 1.00 0.00 H new ATOM 102 N LEU A 10 2.303 0.319 -9.710 1.00 0.00 N ATOM 103 CA LEU A 10 3.591 0.130 -9.053 1.00 0.00 C ATOM 104 C LEU A 10 3.665 -1.238 -8.382 1.00 0.00 C ATOM 105 O LEU A 10 2.680 -1.723 -7.825 1.00 0.00 O ATOM 106 CB LEU A 10 3.824 1.232 -8.017 1.00 0.00 C ATOM 107 CG LEU A 10 3.155 2.576 -8.306 1.00 0.00 C ATOM 108 CD1 LEU A 10 3.611 3.625 -7.303 1.00 0.00 C ATOM 109 CD2 LEU A 10 3.458 3.028 -9.727 1.00 0.00 C ATOM 0 H LEU A 10 1.520 0.458 -9.071 1.00 0.00 H new ATOM 0 HA LEU A 10 4.370 0.184 -9.813 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.472 0.874 -7.050 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.898 1.395 -7.925 1.00 0.00 H new ATOM 0 HG LEU A 10 2.077 2.452 -8.207 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.125 4.575 -7.524 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.343 3.306 -6.296 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.692 3.746 -7.370 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.974 3.986 -9.915 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.535 3.135 -9.853 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.082 2.287 -10.432 1.00 0.00 H new ATOM 121 N THR A 11 4.841 -1.856 -8.438 1.00 0.00 N ATOM 122 CA THR A 11 5.045 -3.167 -7.836 1.00 0.00 C ATOM 123 C THR A 11 5.570 -3.042 -6.410 1.00 0.00 C ATOM 124 O THR A 11 6.732 -2.697 -6.193 1.00 0.00 O ATOM 125 CB THR A 11 6.030 -4.017 -8.660 1.00 0.00 C ATOM 126 OG1 THR A 11 5.556 -4.150 -10.005 1.00 0.00 O ATOM 127 CG2 THR A 11 6.205 -5.396 -8.041 1.00 0.00 C ATOM 0 H THR A 11 5.667 -1.469 -8.895 1.00 0.00 H new ATOM 0 HA THR A 11 4.074 -3.662 -7.821 1.00 0.00 H new ATOM 0 HB THR A 11 6.996 -3.512 -8.663 1.00 0.00 H new ATOM 0 HG1 THR A 11 6.189 -4.690 -10.523 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.905 -5.978 -8.641 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.593 -5.293 -7.028 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.242 -5.906 -8.011 1.00 0.00 H new ATOM 135 N LEU A 12 4.707 -3.325 -5.440 1.00 0.00 N ATOM 136 CA LEU A 12 5.084 -3.244 -4.033 1.00 0.00 C ATOM 137 C LEU A 12 4.695 -4.520 -3.292 1.00 0.00 C ATOM 138 O LEU A 12 3.737 -5.198 -3.661 1.00 0.00 O ATOM 139 CB LEU A 12 4.418 -2.035 -3.375 1.00 0.00 C ATOM 140 CG LEU A 12 4.558 -0.705 -4.116 1.00 0.00 C ATOM 141 CD1 LEU A 12 3.578 0.319 -3.565 1.00 0.00 C ATOM 142 CD2 LEU A 12 5.986 -0.187 -4.016 1.00 0.00 C ATOM 0 H LEU A 12 3.742 -3.612 -5.602 1.00 0.00 H new ATOM 0 HA LEU A 12 6.166 -3.129 -3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.356 -2.251 -3.255 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.834 -1.916 -2.375 1.00 0.00 H new ATOM 0 HG LEU A 12 4.325 -0.871 -5.168 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.692 1.259 -4.105 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.559 -0.049 -3.689 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.779 0.482 -2.506 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.068 0.760 -4.549 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.246 -0.037 -2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.668 -0.913 -4.459 1.00 0.00 H new ATOM 154 N LYS A 13 5.445 -4.839 -2.242 1.00 0.00 N ATOM 155 CA LYS A 13 5.178 -6.031 -1.446 1.00 0.00 C ATOM 156 C LYS A 13 4.446 -5.671 -0.157 1.00 0.00 C ATOM 157 O LYS A 13 4.953 -4.906 0.664 1.00 0.00 O ATOM 158 CB LYS A 13 6.487 -6.752 -1.116 1.00 0.00 C ATOM 159 CG LYS A 13 6.885 -7.791 -2.150 1.00 0.00 C ATOM 160 CD LYS A 13 8.069 -8.620 -1.679 1.00 0.00 C ATOM 161 CE LYS A 13 9.338 -7.786 -1.601 1.00 0.00 C ATOM 162 NZ LYS A 13 10.561 -8.619 -1.768 1.00 0.00 N ATOM 0 H LYS A 13 6.242 -4.289 -1.923 1.00 0.00 H new ATOM 0 HA LYS A 13 4.542 -6.694 -2.032 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.286 -6.015 -1.027 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.390 -7.237 -0.144 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.038 -8.447 -2.353 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.137 -7.295 -3.088 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.850 -9.044 -0.699 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.223 -9.456 -2.361 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.315 -7.017 -2.373 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.377 -7.273 -0.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.404 -8.013 -1.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.597 -9.337 -1.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.537 -9.089 -2.695 1.00 0.00 H new ATOM 176 N ILE A 14 3.251 -6.227 0.014 1.00 0.00 N ATOM 177 CA ILE A 14 2.451 -5.966 1.204 1.00 0.00 C ATOM 178 C ILE A 14 2.928 -6.809 2.383 1.00 0.00 C ATOM 179 O ILE A 14 2.978 -8.036 2.303 1.00 0.00 O ATOM 180 CB ILE A 14 0.959 -6.253 0.953 1.00 0.00 C ATOM 181 CG1 ILE A 14 0.352 -5.168 0.062 1.00 0.00 C ATOM 182 CG2 ILE A 14 0.208 -6.344 2.273 1.00 0.00 C ATOM 183 CD1 ILE A 14 0.506 -5.444 -1.417 1.00 0.00 C ATOM 0 H ILE A 14 2.816 -6.861 -0.656 1.00 0.00 H new ATOM 0 HA ILE A 14 2.575 -4.910 1.442 1.00 0.00 H new ATOM 0 HB ILE A 14 0.869 -7.210 0.440 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.708 -5.068 0.296 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.822 -4.213 0.296 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.845 -6.547 2.079 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.628 -7.149 2.876 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.302 -5.401 2.811 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.053 -4.633 -1.988 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.565 -5.515 -1.666 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.012 -6.383 -1.665 1.00 0.00 H new ATOM 195 N LYS A 15 3.275 -6.141 3.478 1.00 0.00 N ATOM 196 CA LYS A 15 3.745 -6.827 4.676 1.00 0.00 C ATOM 197 C LYS A 15 3.033 -6.301 5.918 1.00 0.00 C ATOM 198 O LYS A 15 2.956 -5.091 6.135 1.00 0.00 O ATOM 199 CB LYS A 15 5.258 -6.651 4.829 1.00 0.00 C ATOM 200 CG LYS A 15 5.843 -7.417 6.002 1.00 0.00 C ATOM 201 CD LYS A 15 7.329 -7.140 6.163 1.00 0.00 C ATOM 202 CE LYS A 15 7.819 -7.520 7.552 1.00 0.00 C ATOM 203 NZ LYS A 15 7.334 -6.569 8.591 1.00 0.00 N ATOM 0 H LYS A 15 3.240 -5.125 3.561 1.00 0.00 H new ATOM 0 HA LYS A 15 3.518 -7.888 4.570 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.748 -6.978 3.912 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.482 -5.591 4.950 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.319 -7.140 6.917 1.00 0.00 H new ATOM 0 HG3 LYS A 15 5.685 -8.485 5.855 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.888 -7.700 5.413 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.525 -6.083 5.983 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.479 -8.527 7.794 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.909 -7.541 7.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.903 -6.679 9.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 7.424 -5.595 8.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.336 -6.769 8.806 1.00 0.00 H new ATOM 217 N CYS A 16 2.517 -7.216 6.730 1.00 0.00 N ATOM 218 CA CYS A 16 1.812 -6.844 7.952 1.00 0.00 C ATOM 219 C CYS A 16 2.778 -6.744 9.128 1.00 0.00 C ATOM 220 O CYS A 16 3.143 -7.752 9.732 1.00 0.00 O ATOM 221 CB CYS A 16 0.715 -7.864 8.263 1.00 0.00 C ATOM 222 SG CYS A 16 -0.875 -7.498 7.484 1.00 0.00 S ATOM 0 H CYS A 16 2.573 -8.221 6.565 1.00 0.00 H new ATOM 0 HA CYS A 16 1.356 -5.866 7.796 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.048 -8.850 7.939 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.576 -7.914 9.343 1.00 0.00 H new ATOM 0 HG CYS A 16 -1.737 -8.417 7.804 1.00 0.00 H new ATOM 228 N SER A 17 3.190 -5.520 9.446 1.00 0.00 N ATOM 229 CA SER A 17 4.118 -5.288 10.546 1.00 0.00 C ATOM 230 C SER A 17 3.712 -6.090 11.778 1.00 0.00 C ATOM 231 O SER A 17 4.466 -6.935 12.259 1.00 0.00 O ATOM 232 CB SER A 17 4.173 -3.798 10.889 1.00 0.00 C ATOM 233 OG SER A 17 4.690 -3.044 9.805 1.00 0.00 O ATOM 0 H SER A 17 2.895 -4.675 8.957 1.00 0.00 H new ATOM 0 HA SER A 17 5.107 -5.618 10.229 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.174 -3.442 11.140 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.796 -3.647 11.771 1.00 0.00 H new ATOM 0 HG SER A 17 4.713 -2.095 10.048 1.00 0.00 H new ATOM 239 N ASN A 18 2.514 -5.818 12.285 1.00 0.00 N ATOM 240 CA ASN A 18 2.006 -6.514 13.462 1.00 0.00 C ATOM 241 C ASN A 18 2.053 -8.025 13.264 1.00 0.00 C ATOM 242 O ASN A 18 2.057 -8.788 14.230 1.00 0.00 O ATOM 243 CB ASN A 18 0.572 -6.072 13.762 1.00 0.00 C ATOM 244 CG ASN A 18 0.180 -6.319 15.206 1.00 0.00 C ATOM 245 OD1 ASN A 18 0.602 -7.303 15.815 1.00 0.00 O ATOM 246 ND2 ASN A 18 -0.630 -5.426 15.760 1.00 0.00 N ATOM 0 H ASN A 18 1.877 -5.121 11.900 1.00 0.00 H new ATOM 0 HA ASN A 18 2.643 -6.257 14.308 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.467 -5.011 13.537 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.115 -6.606 13.106 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.928 -5.540 16.729 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.955 -4.626 15.217 1.00 0.00 H new ATOM 253 N GLN A 19 2.091 -8.451 12.005 1.00 0.00 N ATOM 254 CA GLN A 19 2.138 -9.871 11.680 1.00 0.00 C ATOM 255 C GLN A 19 3.457 -10.231 11.003 1.00 0.00 C ATOM 256 O GLN A 19 3.570 -10.245 9.777 1.00 0.00 O ATOM 257 CB GLN A 19 0.966 -10.248 10.772 1.00 0.00 C ATOM 258 CG GLN A 19 -0.390 -9.849 11.332 1.00 0.00 C ATOM 259 CD GLN A 19 -0.978 -10.907 12.244 1.00 0.00 C ATOM 260 OE1 GLN A 19 -0.577 -12.070 12.205 1.00 0.00 O ATOM 261 NE2 GLN A 19 -1.936 -10.508 13.073 1.00 0.00 N ATOM 0 H GLN A 19 2.090 -7.833 11.194 1.00 0.00 H new ATOM 0 HA GLN A 19 2.062 -10.433 12.611 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.103 -9.773 9.800 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.978 -11.325 10.605 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -0.290 -8.914 11.883 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.078 -9.661 10.508 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -2.238 -9.534 13.072 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -2.370 -11.176 13.711 1.00 0.00 H new ATOM 270 N PRO A 20 4.479 -10.529 11.819 1.00 0.00 N ATOM 271 CA PRO A 20 5.809 -10.895 11.321 1.00 0.00 C ATOM 272 C PRO A 20 5.819 -12.263 10.647 1.00 0.00 C ATOM 273 O PRO A 20 6.679 -12.547 9.815 1.00 0.00 O ATOM 274 CB PRO A 20 6.668 -10.916 12.588 1.00 0.00 C ATOM 275 CG PRO A 20 5.707 -11.188 13.693 1.00 0.00 C ATOM 276 CD PRO A 20 4.416 -10.533 13.290 1.00 0.00 C ATOM 0 HA PRO A 20 6.165 -10.201 10.560 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.436 -11.687 12.533 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.181 -9.965 12.734 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.572 -12.260 13.838 1.00 0.00 H new ATOM 0 HG3 PRO A 20 6.072 -10.782 14.636 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.552 -11.090 13.654 1.00 0.00 H new ATOM 0 HD3 PRO A 20 4.336 -9.523 13.691 1.00 0.00 H new ATOM 284 N GLU A 21 4.858 -13.105 11.013 1.00 0.00 N ATOM 285 CA GLU A 21 4.758 -14.443 10.443 1.00 0.00 C ATOM 286 C GLU A 21 3.984 -14.419 9.128 1.00 0.00 C ATOM 287 O GLU A 21 4.187 -15.267 8.260 1.00 0.00 O ATOM 288 CB GLU A 21 4.078 -15.393 11.431 1.00 0.00 C ATOM 289 CG GLU A 21 2.674 -14.963 11.820 1.00 0.00 C ATOM 290 CD GLU A 21 2.083 -15.825 12.919 1.00 0.00 C ATOM 291 OE1 GLU A 21 2.655 -15.844 14.029 1.00 0.00 O ATOM 292 OE2 GLU A 21 1.050 -16.480 12.669 1.00 0.00 O ATOM 0 H GLU A 21 4.138 -12.884 11.701 1.00 0.00 H new ATOM 0 HA GLU A 21 5.768 -14.801 10.243 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.035 -16.390 10.993 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.689 -15.466 12.331 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.694 -13.924 12.150 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.029 -15.006 10.943 1.00 0.00 H new ATOM 299 N ARG A 22 3.094 -13.440 8.991 1.00 0.00 N ATOM 300 CA ARG A 22 2.288 -13.305 7.784 1.00 0.00 C ATOM 301 C ARG A 22 3.174 -13.148 6.552 1.00 0.00 C ATOM 302 O ARG A 22 3.812 -12.112 6.363 1.00 0.00 O ATOM 303 CB ARG A 22 1.347 -12.105 7.905 1.00 0.00 C ATOM 304 CG ARG A 22 0.031 -12.430 8.594 1.00 0.00 C ATOM 305 CD ARG A 22 -1.027 -12.868 7.594 1.00 0.00 C ATOM 306 NE ARG A 22 -1.013 -14.313 7.380 1.00 0.00 N ATOM 307 CZ ARG A 22 -2.055 -14.998 6.921 1.00 0.00 C ATOM 308 NH1 ARG A 22 -3.187 -14.373 6.629 1.00 0.00 N ATOM 309 NH2 ARG A 22 -1.964 -16.311 6.752 1.00 0.00 N ATOM 0 H ARG A 22 2.914 -12.730 9.701 1.00 0.00 H new ATOM 0 HA ARG A 22 1.696 -14.213 7.670 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.851 -11.313 8.459 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.139 -11.715 6.909 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.189 -13.220 9.328 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.322 -11.554 9.139 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.011 -12.564 7.951 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.861 -12.359 6.644 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.157 -14.824 7.595 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.260 -13.364 6.756 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.985 -14.901 6.277 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.094 -16.795 6.974 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.764 -16.837 6.400 1.00 0.00 H new ATOM 323 N GLN A 23 3.209 -14.182 5.718 1.00 0.00 N ATOM 324 CA GLN A 23 4.018 -14.158 4.505 1.00 0.00 C ATOM 325 C GLN A 23 3.775 -12.877 3.714 1.00 0.00 C ATOM 326 O GLN A 23 2.724 -12.248 3.840 1.00 0.00 O ATOM 327 CB GLN A 23 3.706 -15.376 3.634 1.00 0.00 C ATOM 328 CG GLN A 23 2.336 -15.320 2.978 1.00 0.00 C ATOM 329 CD GLN A 23 1.801 -16.694 2.624 1.00 0.00 C ATOM 330 OE1 GLN A 23 2.497 -17.504 2.011 1.00 0.00 O ATOM 331 NE2 GLN A 23 0.559 -16.963 3.009 1.00 0.00 N ATOM 0 H GLN A 23 2.687 -15.047 5.860 1.00 0.00 H new ATOM 0 HA GLN A 23 5.067 -14.189 4.798 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.467 -15.463 2.859 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.770 -16.276 4.246 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.636 -14.824 3.650 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.395 -14.713 2.074 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.019 -16.261 3.515 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.145 -17.871 2.799 1.00 0.00 H new ATOM 340 N ILE A 24 4.754 -12.496 2.900 1.00 0.00 N ATOM 341 CA ILE A 24 4.645 -11.291 2.088 1.00 0.00 C ATOM 342 C ILE A 24 3.952 -11.582 0.761 1.00 0.00 C ATOM 343 O ILE A 24 4.195 -12.614 0.134 1.00 0.00 O ATOM 344 CB ILE A 24 6.029 -10.675 1.807 1.00 0.00 C ATOM 345 CG1 ILE A 24 6.732 -10.325 3.120 1.00 0.00 C ATOM 346 CG2 ILE A 24 5.891 -9.440 0.929 1.00 0.00 C ATOM 347 CD1 ILE A 24 7.583 -11.450 3.668 1.00 0.00 C ATOM 0 H ILE A 24 5.631 -13.004 2.786 1.00 0.00 H new ATOM 0 HA ILE A 24 4.048 -10.579 2.658 1.00 0.00 H new ATOM 0 HB ILE A 24 6.635 -11.409 1.276 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.360 -9.448 2.964 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.982 -10.052 3.863 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.877 -9.016 0.739 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.427 -9.717 -0.018 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.270 -8.701 1.435 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.051 -11.132 4.599 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.956 -12.322 3.856 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.355 -11.708 2.944 1.00 0.00 H new ATOM 359 N LEU A 25 3.089 -10.665 0.337 1.00 0.00 N ATOM 360 CA LEU A 25 2.361 -10.821 -0.917 1.00 0.00 C ATOM 361 C LEU A 25 2.750 -9.733 -1.912 1.00 0.00 C ATOM 362 O LEU A 25 3.273 -8.687 -1.529 1.00 0.00 O ATOM 363 CB LEU A 25 0.853 -10.780 -0.663 1.00 0.00 C ATOM 364 CG LEU A 25 0.389 -11.276 0.707 1.00 0.00 C ATOM 365 CD1 LEU A 25 1.047 -12.605 1.044 1.00 0.00 C ATOM 366 CD2 LEU A 25 0.694 -10.241 1.781 1.00 0.00 C ATOM 0 H LEU A 25 2.876 -9.806 0.844 1.00 0.00 H new ATOM 0 HA LEU A 25 2.625 -11.789 -1.343 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.511 -9.753 -0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.359 -11.377 -1.430 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.690 -11.426 0.671 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.705 -12.943 2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.779 -13.345 0.290 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.130 -12.481 1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.357 -10.611 2.749 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.768 -10.059 1.816 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.176 -9.311 1.548 1.00 0.00 H new ATOM 378 N GLU A 26 2.490 -9.986 -3.191 1.00 0.00 N ATOM 379 CA GLU A 26 2.812 -9.027 -4.240 1.00 0.00 C ATOM 380 C GLU A 26 1.549 -8.563 -4.960 1.00 0.00 C ATOM 381 O GLU A 26 0.698 -9.372 -5.329 1.00 0.00 O ATOM 382 CB GLU A 26 3.787 -9.645 -5.245 1.00 0.00 C ATOM 383 CG GLU A 26 5.248 -9.420 -4.892 1.00 0.00 C ATOM 384 CD GLU A 26 5.816 -10.528 -4.027 1.00 0.00 C ATOM 385 OE1 GLU A 26 5.141 -10.925 -3.054 1.00 0.00 O ATOM 386 OE2 GLU A 26 6.935 -10.997 -4.322 1.00 0.00 O ATOM 0 H GLU A 26 2.057 -10.847 -3.525 1.00 0.00 H new ATOM 0 HA GLU A 26 3.282 -8.161 -3.773 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.598 -10.717 -5.310 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.592 -9.227 -6.232 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.832 -9.344 -5.809 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.350 -8.468 -4.370 1.00 0.00 H new ATOM 393 N LYS A 27 1.434 -7.254 -5.156 1.00 0.00 N ATOM 394 CA LYS A 27 0.277 -6.679 -5.832 1.00 0.00 C ATOM 395 C LYS A 27 0.628 -5.337 -6.466 1.00 0.00 C ATOM 396 O LYS A 27 1.306 -4.512 -5.856 1.00 0.00 O ATOM 397 CB LYS A 27 -0.880 -6.503 -4.845 1.00 0.00 C ATOM 398 CG LYS A 27 -2.071 -5.766 -5.431 1.00 0.00 C ATOM 399 CD LYS A 27 -3.066 -6.725 -6.062 1.00 0.00 C ATOM 400 CE LYS A 27 -4.112 -7.185 -5.058 1.00 0.00 C ATOM 401 NZ LYS A 27 -3.689 -8.421 -4.343 1.00 0.00 N ATOM 0 H LYS A 27 2.129 -6.570 -4.856 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.029 -7.364 -6.622 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.205 -7.485 -4.500 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.521 -5.960 -3.971 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.565 -5.191 -4.648 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.726 -5.053 -6.180 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.558 -6.238 -6.904 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.536 -7.591 -6.459 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.294 -6.391 -4.334 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.055 -7.368 -5.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.525 -8.898 -3.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.206 -9.059 -5.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.039 -8.170 -3.571 1.00 0.00 H new ATOM 415 N GLN A 28 0.160 -5.127 -7.692 1.00 0.00 N ATOM 416 CA GLN A 28 0.424 -3.884 -8.407 1.00 0.00 C ATOM 417 C GLN A 28 -0.798 -2.972 -8.383 1.00 0.00 C ATOM 418 O GLN A 28 -1.875 -3.347 -8.847 1.00 0.00 O ATOM 419 CB GLN A 28 0.827 -4.179 -9.853 1.00 0.00 C ATOM 420 CG GLN A 28 2.247 -4.701 -9.994 1.00 0.00 C ATOM 421 CD GLN A 28 2.757 -4.628 -11.420 1.00 0.00 C ATOM 422 OE1 GLN A 28 2.878 -3.544 -11.993 1.00 0.00 O ATOM 423 NE2 GLN A 28 3.060 -5.782 -12.001 1.00 0.00 N ATOM 0 H GLN A 28 -0.403 -5.801 -8.211 1.00 0.00 H new ATOM 0 HA GLN A 28 1.246 -3.373 -7.905 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.136 -4.911 -10.272 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.723 -3.269 -10.443 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.908 -4.125 -9.346 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.286 -5.735 -9.651 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.944 -6.657 -11.489 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.409 -5.794 -12.960 1.00 0.00 H new ATOM 432 N LEU A 29 -0.624 -1.772 -7.839 1.00 0.00 N ATOM 433 CA LEU A 29 -1.713 -0.805 -7.754 1.00 0.00 C ATOM 434 C LEU A 29 -1.333 0.504 -8.439 1.00 0.00 C ATOM 435 O LEU A 29 -0.180 0.935 -8.413 1.00 0.00 O ATOM 436 CB LEU A 29 -2.075 -0.543 -6.291 1.00 0.00 C ATOM 437 CG LEU A 29 -2.484 -1.767 -5.471 1.00 0.00 C ATOM 438 CD1 LEU A 29 -3.559 -2.561 -6.197 1.00 0.00 C ATOM 439 CD2 LEU A 29 -1.274 -2.644 -5.182 1.00 0.00 C ATOM 0 H LEU A 29 0.261 -1.446 -7.450 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.579 -1.223 -8.267 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.220 -0.074 -5.804 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.892 0.178 -6.263 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.894 -1.424 -4.521 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.837 -3.428 -5.598 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.435 -1.931 -6.352 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.176 -2.894 -7.162 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.584 -3.510 -4.598 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.834 -2.979 -6.122 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.536 -2.072 -4.620 1.00 0.00 H new ATOM 451 N PRO A 30 -2.325 1.154 -9.065 1.00 0.00 N ATOM 452 CA PRO A 30 -2.121 2.425 -9.767 1.00 0.00 C ATOM 453 C PRO A 30 -1.839 3.577 -8.808 1.00 0.00 C ATOM 454 O PRO A 30 -2.669 3.909 -7.961 1.00 0.00 O ATOM 455 CB PRO A 30 -3.449 2.646 -10.494 1.00 0.00 C ATOM 456 CG PRO A 30 -4.451 1.891 -9.691 1.00 0.00 C ATOM 457 CD PRO A 30 -3.724 0.698 -9.137 1.00 0.00 C ATOM 0 HA PRO A 30 -1.257 2.390 -10.431 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.700 3.705 -10.546 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.405 2.278 -11.519 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -4.854 2.509 -8.889 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.294 1.582 -10.309 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.105 0.415 -8.156 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.830 -0.173 -9.784 1.00 0.00 H new ATOM 465 N ASP A 31 -0.666 4.183 -8.947 1.00 0.00 N ATOM 466 CA ASP A 31 -0.276 5.299 -8.094 1.00 0.00 C ATOM 467 C ASP A 31 -1.454 6.239 -7.856 1.00 0.00 C ATOM 468 O ASP A 31 -1.498 6.954 -6.856 1.00 0.00 O ATOM 469 CB ASP A 31 0.886 6.069 -8.724 1.00 0.00 C ATOM 470 CG ASP A 31 0.591 6.501 -10.146 1.00 0.00 C ATOM 471 OD1 ASP A 31 -0.584 6.802 -10.442 1.00 0.00 O ATOM 472 OD2 ASP A 31 1.535 6.538 -10.964 1.00 0.00 O ATOM 0 H ASP A 31 0.032 3.920 -9.643 1.00 0.00 H new ATOM 0 HA ASP A 31 0.044 4.895 -7.134 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.106 6.948 -8.119 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.779 5.444 -8.715 1.00 0.00 H new ATOM 477 N SER A 32 -2.407 6.231 -8.783 1.00 0.00 N ATOM 478 CA SER A 32 -3.584 7.086 -8.677 1.00 0.00 C ATOM 479 C SER A 32 -4.435 6.691 -7.473 1.00 0.00 C ATOM 480 O SER A 32 -4.882 7.546 -6.709 1.00 0.00 O ATOM 481 CB SER A 32 -4.419 7.001 -9.956 1.00 0.00 C ATOM 482 OG SER A 32 -5.500 7.917 -9.920 1.00 0.00 O ATOM 0 H SER A 32 -2.387 5.642 -9.616 1.00 0.00 H new ATOM 0 HA SER A 32 -3.246 8.113 -8.540 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.789 7.211 -10.820 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.801 5.987 -10.078 1.00 0.00 H new ATOM 0 HG SER A 32 -6.018 7.845 -10.749 1.00 0.00 H new ATOM 488 N MET A 33 -4.654 5.390 -7.312 1.00 0.00 N ATOM 489 CA MET A 33 -5.450 4.882 -6.202 1.00 0.00 C ATOM 490 C MET A 33 -5.150 5.652 -4.920 1.00 0.00 C ATOM 491 O MET A 33 -4.004 5.714 -4.474 1.00 0.00 O ATOM 492 CB MET A 33 -5.177 3.391 -5.991 1.00 0.00 C ATOM 493 CG MET A 33 -6.366 2.628 -5.430 1.00 0.00 C ATOM 494 SD MET A 33 -6.400 0.906 -5.963 1.00 0.00 S ATOM 495 CE MET A 33 -5.558 0.113 -4.595 1.00 0.00 C ATOM 0 H MET A 33 -4.291 4.669 -7.936 1.00 0.00 H new ATOM 0 HA MET A 33 -6.502 5.020 -6.450 1.00 0.00 H new ATOM 0 HB2 MET A 33 -4.886 2.945 -6.942 1.00 0.00 H new ATOM 0 HB3 MET A 33 -4.331 3.277 -5.314 1.00 0.00 H new ATOM 0 HG2 MET A 33 -6.337 2.667 -4.341 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.288 3.119 -5.742 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.699 -0.966 -4.657 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.494 0.343 -4.640 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.969 0.479 -3.654 1.00 0.00 H new ATOM 505 N THR A 34 -6.187 6.238 -4.330 1.00 0.00 N ATOM 506 CA THR A 34 -6.034 7.006 -3.101 1.00 0.00 C ATOM 507 C THR A 34 -5.764 6.091 -1.912 1.00 0.00 C ATOM 508 O THR A 34 -6.320 4.996 -1.819 1.00 0.00 O ATOM 509 CB THR A 34 -7.287 7.853 -2.808 1.00 0.00 C ATOM 510 OG1 THR A 34 -8.461 7.037 -2.894 1.00 0.00 O ATOM 511 CG2 THR A 34 -7.396 9.013 -3.785 1.00 0.00 C ATOM 0 H THR A 34 -7.143 6.195 -4.684 1.00 0.00 H new ATOM 0 HA THR A 34 -5.182 7.670 -3.247 1.00 0.00 H new ATOM 0 HB THR A 34 -7.199 8.256 -1.799 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.253 7.582 -2.705 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.288 9.597 -3.559 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.515 9.648 -3.696 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.464 8.627 -4.802 1.00 0.00 H new ATOM 519 N VAL A 35 -4.907 6.546 -1.004 1.00 0.00 N ATOM 520 CA VAL A 35 -4.564 5.769 0.181 1.00 0.00 C ATOM 521 C VAL A 35 -5.802 5.122 0.792 1.00 0.00 C ATOM 522 O VAL A 35 -5.716 4.069 1.422 1.00 0.00 O ATOM 523 CB VAL A 35 -3.877 6.644 1.247 1.00 0.00 C ATOM 524 CG1 VAL A 35 -3.805 5.908 2.576 1.00 0.00 C ATOM 525 CG2 VAL A 35 -2.489 7.058 0.782 1.00 0.00 C ATOM 0 H VAL A 35 -4.437 7.449 -1.066 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.872 4.991 -0.141 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.472 7.546 1.390 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.317 6.541 3.317 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.813 5.666 2.913 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.234 4.988 2.452 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.018 7.675 1.547 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.883 6.169 0.610 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.570 7.627 -0.144 1.00 0.00 H new ATOM 535 N GLN A 36 -6.952 5.760 0.599 1.00 0.00 N ATOM 536 CA GLN A 36 -8.209 5.246 1.131 1.00 0.00 C ATOM 537 C GLN A 36 -8.613 3.957 0.423 1.00 0.00 C ATOM 538 O GLN A 36 -9.077 3.008 1.056 1.00 0.00 O ATOM 539 CB GLN A 36 -9.315 6.291 0.982 1.00 0.00 C ATOM 540 CG GLN A 36 -10.416 6.164 2.023 1.00 0.00 C ATOM 541 CD GLN A 36 -11.469 7.247 1.894 1.00 0.00 C ATOM 542 OE1 GLN A 36 -11.149 8.433 1.807 1.00 0.00 O ATOM 543 NE2 GLN A 36 -12.735 6.844 1.882 1.00 0.00 N ATOM 0 H GLN A 36 -7.039 6.633 0.079 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.065 5.028 2.189 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.875 7.286 1.050 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.754 6.204 -0.012 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.891 5.188 1.927 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.976 6.208 3.019 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -12.955 5.851 1.957 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -13.487 7.528 1.798 1.00 0.00 H new ATOM 552 N LYS A 37 -8.433 3.929 -0.893 1.00 0.00 N ATOM 553 CA LYS A 37 -8.778 2.756 -1.688 1.00 0.00 C ATOM 554 C LYS A 37 -7.930 1.555 -1.282 1.00 0.00 C ATOM 555 O LYS A 37 -8.432 0.436 -1.176 1.00 0.00 O ATOM 556 CB LYS A 37 -8.585 3.050 -3.178 1.00 0.00 C ATOM 557 CG LYS A 37 -9.810 3.656 -3.842 1.00 0.00 C ATOM 558 CD LYS A 37 -10.740 2.582 -4.381 1.00 0.00 C ATOM 559 CE LYS A 37 -11.597 1.982 -3.276 1.00 0.00 C ATOM 560 NZ LYS A 37 -12.838 1.359 -3.814 1.00 0.00 N ATOM 0 H LYS A 37 -8.050 4.706 -1.432 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.825 2.518 -1.503 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.742 3.731 -3.299 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.324 2.125 -3.692 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.346 4.275 -3.123 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.498 4.310 -4.656 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.383 3.009 -5.151 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.153 1.796 -4.856 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.019 1.233 -2.735 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.862 2.759 -2.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.395 0.962 -3.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.402 2.079 -4.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.585 0.600 -4.479 1.00 0.00 H new ATOM 574 N VAL A 38 -6.643 1.795 -1.054 1.00 0.00 N ATOM 575 CA VAL A 38 -5.726 0.734 -0.657 1.00 0.00 C ATOM 576 C VAL A 38 -6.147 0.111 0.670 1.00 0.00 C ATOM 577 O VAL A 38 -6.149 -1.110 0.823 1.00 0.00 O ATOM 578 CB VAL A 38 -4.282 1.257 -0.531 1.00 0.00 C ATOM 579 CG1 VAL A 38 -3.330 0.120 -0.194 1.00 0.00 C ATOM 580 CG2 VAL A 38 -3.857 1.959 -1.811 1.00 0.00 C ATOM 0 H VAL A 38 -6.212 2.716 -1.138 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.763 -0.024 -1.439 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.245 1.982 0.282 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.315 0.508 -0.109 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.625 -0.334 0.752 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.366 -0.631 -0.983 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.835 2.322 -1.705 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.908 1.258 -2.644 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.523 2.800 -2.003 1.00 0.00 H new ATOM 590 N LYS A 39 -6.504 0.960 1.628 1.00 0.00 N ATOM 591 CA LYS A 39 -6.930 0.495 2.943 1.00 0.00 C ATOM 592 C LYS A 39 -8.292 -0.187 2.864 1.00 0.00 C ATOM 593 O LYS A 39 -8.597 -1.079 3.654 1.00 0.00 O ATOM 594 CB LYS A 39 -6.990 1.666 3.926 1.00 0.00 C ATOM 595 CG LYS A 39 -5.624 2.152 4.378 1.00 0.00 C ATOM 596 CD LYS A 39 -5.695 3.554 4.959 1.00 0.00 C ATOM 597 CE LYS A 39 -4.360 3.980 5.552 1.00 0.00 C ATOM 598 NZ LYS A 39 -4.521 5.069 6.554 1.00 0.00 N ATOM 0 H LYS A 39 -6.507 1.974 1.518 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.200 -0.232 3.298 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.525 2.494 3.460 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.567 1.366 4.801 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.222 1.468 5.125 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.935 2.142 3.533 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.989 4.257 4.180 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.465 3.591 5.730 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.881 3.121 6.023 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.699 4.316 4.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.613 5.559 6.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.236 5.746 6.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.827 4.663 7.461 1.00 0.00 H new ATOM 612 N GLY A 40 -9.107 0.238 1.903 1.00 0.00 N ATOM 613 CA GLY A 40 -10.426 -0.344 1.738 1.00 0.00 C ATOM 614 C GLY A 40 -10.386 -1.676 1.015 1.00 0.00 C ATOM 615 O GLY A 40 -11.350 -2.442 1.055 1.00 0.00 O ATOM 0 H GLY A 40 -8.877 0.975 1.236 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.885 -0.479 2.717 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.058 0.349 1.183 1.00 0.00 H new ATOM 619 N LEU A 41 -9.270 -1.953 0.350 1.00 0.00 N ATOM 620 CA LEU A 41 -9.108 -3.201 -0.388 1.00 0.00 C ATOM 621 C LEU A 41 -8.806 -4.358 0.559 1.00 0.00 C ATOM 622 O LEU A 41 -9.369 -5.445 0.428 1.00 0.00 O ATOM 623 CB LEU A 41 -7.987 -3.065 -1.420 1.00 0.00 C ATOM 624 CG LEU A 41 -7.453 -4.372 -2.006 1.00 0.00 C ATOM 625 CD1 LEU A 41 -8.336 -4.845 -3.150 1.00 0.00 C ATOM 626 CD2 LEU A 41 -6.016 -4.197 -2.476 1.00 0.00 C ATOM 0 H LEU A 41 -8.463 -1.330 0.307 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.044 -3.413 -0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.348 -2.443 -2.239 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.157 -2.532 -0.957 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.469 -5.132 -1.225 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.940 -5.777 -3.554 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.349 -5.010 -2.783 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.353 -4.088 -3.934 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.652 -5.137 -2.890 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.976 -3.423 -3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.390 -3.906 -1.632 1.00 0.00 H new ATOM 638 N LEU A 42 -7.915 -4.116 1.514 1.00 0.00 N ATOM 639 CA LEU A 42 -7.538 -5.137 2.486 1.00 0.00 C ATOM 640 C LEU A 42 -8.459 -5.098 3.701 1.00 0.00 C ATOM 641 O LEU A 42 -8.536 -6.060 4.465 1.00 0.00 O ATOM 642 CB LEU A 42 -6.086 -4.940 2.926 1.00 0.00 C ATOM 643 CG LEU A 42 -5.030 -5.064 1.828 1.00 0.00 C ATOM 644 CD1 LEU A 42 -3.708 -4.470 2.289 1.00 0.00 C ATOM 645 CD2 LEU A 42 -4.850 -6.520 1.423 1.00 0.00 C ATOM 0 H LEU A 42 -7.440 -3.222 1.636 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.637 -6.112 2.009 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.995 -3.953 3.380 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.861 -5.670 3.703 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.372 -4.505 0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.968 -4.567 1.494 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.847 -3.416 2.528 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.360 -5.001 3.175 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.094 -6.589 0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.531 -7.101 2.288 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.796 -6.914 1.050 1.00 0.00 H new ATOM 657 N SER A 43 -9.159 -3.981 3.871 1.00 0.00 N ATOM 658 CA SER A 43 -10.074 -3.816 4.994 1.00 0.00 C ATOM 659 C SER A 43 -11.075 -4.965 5.052 1.00 0.00 C ATOM 660 O SER A 43 -11.355 -5.506 6.122 1.00 0.00 O ATOM 661 CB SER A 43 -10.816 -2.483 4.883 1.00 0.00 C ATOM 662 OG SER A 43 -12.102 -2.564 5.474 1.00 0.00 O ATOM 0 H SER A 43 -9.110 -3.177 3.245 1.00 0.00 H new ATOM 0 HA SER A 43 -9.487 -3.822 5.913 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.237 -1.699 5.371 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.911 -2.203 3.834 1.00 0.00 H new ATOM 0 HG SER A 43 -12.011 -2.629 6.448 1.00 0.00 H new ATOM 668 N ARG A 44 -11.612 -5.333 3.894 1.00 0.00 N ATOM 669 CA ARG A 44 -12.583 -6.417 3.811 1.00 0.00 C ATOM 670 C ARG A 44 -11.908 -7.769 4.021 1.00 0.00 C ATOM 671 O ARG A 44 -12.559 -8.751 4.381 1.00 0.00 O ATOM 672 CB ARG A 44 -13.292 -6.394 2.455 1.00 0.00 C ATOM 673 CG ARG A 44 -14.390 -5.348 2.360 1.00 0.00 C ATOM 674 CD ARG A 44 -15.721 -5.890 2.858 1.00 0.00 C ATOM 675 NE ARG A 44 -16.855 -5.182 2.270 1.00 0.00 N ATOM 676 CZ ARG A 44 -18.091 -5.668 2.242 1.00 0.00 C ATOM 677 NH1 ARG A 44 -18.350 -6.858 2.767 1.00 0.00 N ATOM 678 NH2 ARG A 44 -19.070 -4.964 1.689 1.00 0.00 N ATOM 0 H ARG A 44 -11.391 -4.896 2.999 1.00 0.00 H new ATOM 0 HA ARG A 44 -13.320 -6.271 4.601 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -12.556 -6.208 1.673 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -13.721 -7.377 2.262 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -14.111 -4.472 2.945 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -14.493 -5.021 1.326 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -15.793 -6.951 2.619 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -15.764 -5.804 3.944 1.00 0.00 H new ATOM 0 HE ARG A 44 -16.689 -4.264 1.858 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -17.600 -7.402 3.193 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -19.300 -7.230 2.745 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -18.874 -4.048 1.285 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -20.019 -5.338 1.668 1.00 0.00 H new ATOM 692 N LEU A 45 -10.600 -7.813 3.793 1.00 0.00 N ATOM 693 CA LEU A 45 -9.835 -9.045 3.957 1.00 0.00 C ATOM 694 C LEU A 45 -9.535 -9.308 5.429 1.00 0.00 C ATOM 695 O LEU A 45 -9.996 -10.296 6.001 1.00 0.00 O ATOM 696 CB LEU A 45 -8.530 -8.967 3.164 1.00 0.00 C ATOM 697 CG LEU A 45 -8.596 -9.447 1.714 1.00 0.00 C ATOM 698 CD1 LEU A 45 -7.317 -9.087 0.974 1.00 0.00 C ATOM 699 CD2 LEU A 45 -8.842 -10.947 1.659 1.00 0.00 C ATOM 0 H LEU A 45 -10.047 -7.010 3.494 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.436 -9.870 3.575 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.187 -7.932 3.168 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.775 -9.555 3.686 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.429 -8.945 1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.382 -9.437 -0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.184 -8.005 0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.467 -9.561 1.465 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.886 -11.271 0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.030 -11.468 2.167 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.786 -11.179 2.151 1.00 0.00 H new ATOM 711 N LEU A 46 -8.760 -8.416 6.038 1.00 0.00 N ATOM 712 CA LEU A 46 -8.399 -8.550 7.445 1.00 0.00 C ATOM 713 C LEU A 46 -9.547 -8.105 8.346 1.00 0.00 C ATOM 714 O LEU A 46 -9.391 -8.003 9.563 1.00 0.00 O ATOM 715 CB LEU A 46 -7.146 -7.728 7.751 1.00 0.00 C ATOM 716 CG LEU A 46 -5.886 -8.110 6.974 1.00 0.00 C ATOM 717 CD1 LEU A 46 -4.903 -6.950 6.947 1.00 0.00 C ATOM 718 CD2 LEU A 46 -5.239 -9.346 7.583 1.00 0.00 C ATOM 0 H LEU A 46 -8.370 -7.593 5.579 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.193 -9.602 7.644 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.367 -6.679 7.553 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.931 -7.813 8.816 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.171 -8.341 5.948 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.012 -7.241 6.390 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.368 -6.090 6.465 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.623 -6.687 7.967 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.344 -9.604 7.018 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.968 -9.142 8.619 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.942 -10.179 7.549 1.00 0.00 H new ATOM 730 N LYS A 47 -10.700 -7.843 7.740 1.00 0.00 N ATOM 731 CA LYS A 47 -11.876 -7.411 8.487 1.00 0.00 C ATOM 732 C LYS A 47 -11.543 -6.228 9.390 1.00 0.00 C ATOM 733 O LYS A 47 -12.054 -6.122 10.505 1.00 0.00 O ATOM 734 CB LYS A 47 -12.425 -8.568 9.326 1.00 0.00 C ATOM 735 CG LYS A 47 -12.803 -9.789 8.505 1.00 0.00 C ATOM 736 CD LYS A 47 -11.624 -10.732 8.334 1.00 0.00 C ATOM 737 CE LYS A 47 -11.503 -11.691 9.508 1.00 0.00 C ATOM 738 NZ LYS A 47 -10.236 -12.472 9.459 1.00 0.00 N ATOM 0 H LYS A 47 -10.845 -7.922 6.734 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.635 -7.096 7.771 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.678 -8.855 10.066 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.302 -8.224 9.875 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.624 -10.316 8.991 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.163 -9.473 7.526 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.741 -11.299 7.410 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.705 -10.154 8.239 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -11.548 -11.130 10.441 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.351 -12.375 9.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.192 -13.114 10.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.204 -13.028 8.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.426 -11.821 9.486 1.00 0.00 H new ATOM 752 N VAL A 48 -10.685 -5.338 8.901 1.00 0.00 N ATOM 753 CA VAL A 48 -10.287 -4.161 9.662 1.00 0.00 C ATOM 754 C VAL A 48 -10.801 -2.883 9.008 1.00 0.00 C ATOM 755 O VAL A 48 -10.773 -2.727 7.788 1.00 0.00 O ATOM 756 CB VAL A 48 -8.755 -4.074 9.800 1.00 0.00 C ATOM 757 CG1 VAL A 48 -8.356 -2.797 10.524 1.00 0.00 C ATOM 758 CG2 VAL A 48 -8.215 -5.298 10.524 1.00 0.00 C ATOM 0 H VAL A 48 -10.252 -5.411 7.980 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.729 -4.261 10.653 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.318 -4.049 8.802 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.270 -2.753 10.612 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.710 -1.934 9.961 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.802 -2.788 11.519 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.131 -5.220 10.613 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.657 -5.357 11.519 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.469 -6.196 9.960 1.00 0.00 H new ATOM 768 N PRO A 49 -11.282 -1.946 9.838 1.00 0.00 N ATOM 769 CA PRO A 49 -11.811 -0.664 9.363 1.00 0.00 C ATOM 770 C PRO A 49 -10.718 0.245 8.812 1.00 0.00 C ATOM 771 O PRO A 49 -9.681 0.441 9.446 1.00 0.00 O ATOM 772 CB PRO A 49 -12.434 -0.050 10.619 1.00 0.00 C ATOM 773 CG PRO A 49 -11.694 -0.673 11.753 1.00 0.00 C ATOM 774 CD PRO A 49 -11.346 -2.065 11.305 1.00 0.00 C ATOM 0 HA PRO A 49 -12.515 -0.793 8.541 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.326 1.035 10.624 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.501 -0.265 10.677 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.796 -0.104 11.992 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -12.307 -0.695 12.654 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -10.395 -2.396 11.723 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -12.100 -2.788 11.617 1.00 0.00 H new ATOM 782 N VAL A 50 -10.957 0.799 7.627 1.00 0.00 N ATOM 783 CA VAL A 50 -9.994 1.690 6.991 1.00 0.00 C ATOM 784 C VAL A 50 -9.544 2.787 7.949 1.00 0.00 C ATOM 785 O VAL A 50 -8.468 3.363 7.789 1.00 0.00 O ATOM 786 CB VAL A 50 -10.581 2.338 5.724 1.00 0.00 C ATOM 787 CG1 VAL A 50 -9.762 3.554 5.318 1.00 0.00 C ATOM 788 CG2 VAL A 50 -10.647 1.327 4.589 1.00 0.00 C ATOM 0 H VAL A 50 -11.810 0.646 7.088 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.134 1.080 6.713 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.596 2.669 5.944 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.192 3.999 4.421 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.772 4.285 6.126 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.735 3.250 5.116 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.064 1.803 3.702 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.644 0.963 4.367 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.280 0.490 4.884 1.00 0.00 H new ATOM 798 N SER A 51 -10.376 3.072 8.946 1.00 0.00 N ATOM 799 CA SER A 51 -10.066 4.104 9.929 1.00 0.00 C ATOM 800 C SER A 51 -8.909 3.671 10.824 1.00 0.00 C ATOM 801 O SER A 51 -8.012 4.459 11.122 1.00 0.00 O ATOM 802 CB SER A 51 -11.298 4.412 10.782 1.00 0.00 C ATOM 803 OG SER A 51 -12.171 5.305 10.112 1.00 0.00 O ATOM 0 H SER A 51 -11.270 2.603 9.094 1.00 0.00 H new ATOM 0 HA SER A 51 -9.770 5.005 9.392 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.826 3.486 11.012 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.987 4.846 11.732 1.00 0.00 H new ATOM 0 HG SER A 51 -12.951 5.485 10.677 1.00 0.00 H new ATOM 809 N GLU A 52 -8.937 2.411 11.250 1.00 0.00 N ATOM 810 CA GLU A 52 -7.891 1.873 12.111 1.00 0.00 C ATOM 811 C GLU A 52 -6.696 1.402 11.288 1.00 0.00 C ATOM 812 O GLU A 52 -5.593 1.239 11.810 1.00 0.00 O ATOM 813 CB GLU A 52 -8.436 0.715 12.949 1.00 0.00 C ATOM 814 CG GLU A 52 -9.544 1.123 13.906 1.00 0.00 C ATOM 815 CD GLU A 52 -9.012 1.728 15.190 1.00 0.00 C ATOM 816 OE1 GLU A 52 -8.770 2.953 15.214 1.00 0.00 O ATOM 817 OE2 GLU A 52 -8.839 0.976 16.172 1.00 0.00 O ATOM 0 H GLU A 52 -9.672 1.745 11.013 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.559 2.670 12.777 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.812 -0.060 12.281 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.618 0.275 13.520 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.198 1.843 13.413 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.152 0.251 14.145 1.00 0.00 H new ATOM 824 N LEU A 53 -6.924 1.183 9.998 1.00 0.00 N ATOM 825 CA LEU A 53 -5.867 0.729 9.100 1.00 0.00 C ATOM 826 C LEU A 53 -4.886 1.858 8.800 1.00 0.00 C ATOM 827 O LEU A 53 -5.269 2.905 8.277 1.00 0.00 O ATOM 828 CB LEU A 53 -6.470 0.202 7.797 1.00 0.00 C ATOM 829 CG LEU A 53 -6.941 -1.253 7.815 1.00 0.00 C ATOM 830 CD1 LEU A 53 -7.693 -1.587 6.537 1.00 0.00 C ATOM 831 CD2 LEU A 53 -5.760 -2.194 8.003 1.00 0.00 C ATOM 0 H LEU A 53 -7.831 1.312 9.550 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.325 -0.077 9.594 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.317 0.834 7.531 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.728 0.313 7.006 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.621 -1.384 8.657 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.020 -2.626 6.568 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.562 -0.936 6.445 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.037 -1.439 5.679 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.114 -3.225 8.013 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.055 -2.061 7.183 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.264 -1.971 8.948 1.00 0.00 H new ATOM 843 N LEU A 54 -3.619 1.637 9.133 1.00 0.00 N ATOM 844 CA LEU A 54 -2.581 2.635 8.897 1.00 0.00 C ATOM 845 C LEU A 54 -1.510 2.094 7.956 1.00 0.00 C ATOM 846 O LEU A 54 -0.749 1.194 8.315 1.00 0.00 O ATOM 847 CB LEU A 54 -1.945 3.061 10.221 1.00 0.00 C ATOM 848 CG LEU A 54 -2.902 3.224 11.403 1.00 0.00 C ATOM 849 CD1 LEU A 54 -2.125 3.446 12.691 1.00 0.00 C ATOM 850 CD2 LEU A 54 -3.865 4.375 11.154 1.00 0.00 C ATOM 0 H LEU A 54 -3.286 0.776 9.567 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.045 3.503 8.429 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.188 2.325 10.491 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.428 4.008 10.065 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.482 2.307 11.506 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.822 3.560 13.521 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.476 2.590 12.877 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.519 4.347 12.600 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.538 4.477 12.005 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.302 5.299 11.025 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.446 4.175 10.254 1.00 0.00 H new ATOM 862 N LEU A 55 -1.454 2.649 6.750 1.00 0.00 N ATOM 863 CA LEU A 55 -0.473 2.224 5.757 1.00 0.00 C ATOM 864 C LEU A 55 0.818 3.026 5.888 1.00 0.00 C ATOM 865 O LEU A 55 0.788 4.231 6.141 1.00 0.00 O ATOM 866 CB LEU A 55 -1.045 2.382 4.347 1.00 0.00 C ATOM 867 CG LEU A 55 -1.698 1.138 3.744 1.00 0.00 C ATOM 868 CD1 LEU A 55 -0.678 0.022 3.587 1.00 0.00 C ATOM 869 CD2 LEU A 55 -2.866 0.679 4.605 1.00 0.00 C ATOM 0 H LEU A 55 -2.076 3.394 6.436 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.245 1.173 5.934 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.784 3.183 4.364 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.241 2.703 3.684 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.079 1.394 2.756 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.161 -0.855 3.156 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.125 0.353 2.929 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.265 -0.234 4.563 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.319 -0.207 4.161 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.508 0.441 5.607 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.609 1.475 4.665 1.00 0.00 H new ATOM 881 N SER A 56 1.949 2.351 5.712 1.00 0.00 N ATOM 882 CA SER A 56 3.250 3.001 5.812 1.00 0.00 C ATOM 883 C SER A 56 4.240 2.389 4.826 1.00 0.00 C ATOM 884 O SER A 56 4.529 1.193 4.879 1.00 0.00 O ATOM 885 CB SER A 56 3.795 2.883 7.237 1.00 0.00 C ATOM 886 OG SER A 56 3.546 1.595 7.773 1.00 0.00 O ATOM 0 H SER A 56 1.991 1.354 5.499 1.00 0.00 H new ATOM 0 HA SER A 56 3.121 4.055 5.565 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.867 3.079 7.237 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.332 3.640 7.871 1.00 0.00 H new ATOM 0 HG SER A 56 3.905 1.545 8.683 1.00 0.00 H new ATOM 892 N TYR A 57 4.756 3.217 3.925 1.00 0.00 N ATOM 893 CA TYR A 57 5.712 2.759 2.924 1.00 0.00 C ATOM 894 C TYR A 57 7.138 3.124 3.324 1.00 0.00 C ATOM 895 O TYR A 57 7.385 4.202 3.864 1.00 0.00 O ATOM 896 CB TYR A 57 5.383 3.365 1.558 1.00 0.00 C ATOM 897 CG TYR A 57 6.068 4.688 1.302 1.00 0.00 C ATOM 898 CD1 TYR A 57 5.603 5.859 1.890 1.00 0.00 C ATOM 899 CD2 TYR A 57 7.179 4.769 0.472 1.00 0.00 C ATOM 900 CE1 TYR A 57 6.225 7.070 1.658 1.00 0.00 C ATOM 901 CE2 TYR A 57 7.808 5.976 0.236 1.00 0.00 C ATOM 902 CZ TYR A 57 7.327 7.124 0.831 1.00 0.00 C ATOM 903 OH TYR A 57 7.951 8.328 0.597 1.00 0.00 O ATOM 0 H TYR A 57 4.528 4.210 3.867 1.00 0.00 H new ATOM 0 HA TYR A 57 5.639 1.673 2.860 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.670 2.660 0.778 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.304 3.503 1.481 1.00 0.00 H new ATOM 0 HD1 TYR A 57 4.741 5.821 2.539 1.00 0.00 H new ATOM 0 HD2 TYR A 57 7.558 3.873 0.003 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.850 7.970 2.122 1.00 0.00 H new ATOM 0 HE2 TYR A 57 8.672 6.021 -0.411 1.00 0.00 H new ATOM 0 HH TYR A 57 7.425 8.850 -0.045 1.00 0.00 H new ATOM 913 N GLU A 58 8.072 2.218 3.054 1.00 0.00 N ATOM 914 CA GLU A 58 9.474 2.444 3.386 1.00 0.00 C ATOM 915 C GLU A 58 10.271 2.836 2.145 1.00 0.00 C ATOM 916 O GLU A 58 10.461 2.029 1.236 1.00 0.00 O ATOM 917 CB GLU A 58 10.080 1.190 4.020 1.00 0.00 C ATOM 918 CG GLU A 58 11.474 1.407 4.585 1.00 0.00 C ATOM 919 CD GLU A 58 12.293 0.132 4.621 1.00 0.00 C ATOM 920 OE1 GLU A 58 12.616 -0.396 3.536 1.00 0.00 O ATOM 921 OE2 GLU A 58 12.612 -0.338 5.733 1.00 0.00 O ATOM 0 H GLU A 58 7.884 1.321 2.606 1.00 0.00 H new ATOM 0 HA GLU A 58 9.523 3.264 4.102 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.424 0.843 4.818 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.119 0.398 3.272 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.994 2.152 3.983 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.394 1.812 5.594 1.00 0.00 H new ATOM 928 N SER A 59 10.733 4.082 2.115 1.00 0.00 N ATOM 929 CA SER A 59 11.506 4.584 0.985 1.00 0.00 C ATOM 930 C SER A 59 12.880 3.923 0.930 1.00 0.00 C ATOM 931 O SER A 59 13.706 4.108 1.823 1.00 0.00 O ATOM 932 CB SER A 59 11.661 6.103 1.080 1.00 0.00 C ATOM 933 OG SER A 59 12.237 6.480 2.319 1.00 0.00 O ATOM 0 H SER A 59 10.585 4.762 2.860 1.00 0.00 H new ATOM 0 HA SER A 59 10.967 4.338 0.070 1.00 0.00 H new ATOM 0 HB2 SER A 59 12.286 6.460 0.261 1.00 0.00 H new ATOM 0 HB3 SER A 59 10.687 6.579 0.968 1.00 0.00 H new ATOM 0 HG SER A 59 12.942 5.843 2.560 1.00 0.00 H new ATOM 939 N SER A 60 13.117 3.152 -0.127 1.00 0.00 N ATOM 940 CA SER A 60 14.389 2.460 -0.298 1.00 0.00 C ATOM 941 C SER A 60 15.558 3.427 -0.145 1.00 0.00 C ATOM 942 O SER A 60 16.450 3.218 0.678 1.00 0.00 O ATOM 943 CB SER A 60 14.446 1.785 -1.670 1.00 0.00 C ATOM 944 OG SER A 60 15.298 0.654 -1.647 1.00 0.00 O ATOM 0 H SER A 60 12.445 2.991 -0.877 1.00 0.00 H new ATOM 0 HA SER A 60 14.467 1.698 0.477 1.00 0.00 H new ATOM 0 HB2 SER A 60 13.443 1.483 -1.972 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.802 2.497 -2.415 1.00 0.00 H new ATOM 0 HG SER A 60 15.316 0.240 -2.535 1.00 0.00 H new ATOM 950 N LYS A 61 15.548 4.489 -0.945 1.00 0.00 N ATOM 951 CA LYS A 61 16.606 5.491 -0.900 1.00 0.00 C ATOM 952 C LYS A 61 16.946 5.859 0.541 1.00 0.00 C ATOM 953 O LYS A 61 18.115 6.013 0.893 1.00 0.00 O ATOM 954 CB LYS A 61 16.184 6.743 -1.672 1.00 0.00 C ATOM 955 CG LYS A 61 14.954 7.426 -1.097 1.00 0.00 C ATOM 956 CD LYS A 61 14.303 8.349 -2.113 1.00 0.00 C ATOM 957 CE LYS A 61 13.024 8.965 -1.567 1.00 0.00 C ATOM 958 NZ LYS A 61 13.283 9.804 -0.364 1.00 0.00 N ATOM 0 H LYS A 61 14.818 4.677 -1.632 1.00 0.00 H new ATOM 0 HA LYS A 61 17.495 5.066 -1.367 1.00 0.00 H new ATOM 0 HB2 LYS A 61 17.012 7.451 -1.680 1.00 0.00 H new ATOM 0 HB3 LYS A 61 15.987 6.471 -2.709 1.00 0.00 H new ATOM 0 HG2 LYS A 61 14.235 6.672 -0.776 1.00 0.00 H new ATOM 0 HG3 LYS A 61 15.234 7.997 -0.212 1.00 0.00 H new ATOM 0 HD2 LYS A 61 15.001 9.140 -2.387 1.00 0.00 H new ATOM 0 HD3 LYS A 61 14.080 7.791 -3.023 1.00 0.00 H new ATOM 0 HE2 LYS A 61 12.555 9.573 -2.340 1.00 0.00 H new ATOM 0 HE3 LYS A 61 12.319 8.173 -1.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 12.424 10.339 -0.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 13.547 9.193 0.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 14.059 10.467 -0.564 1.00 0.00 H new ATOM 972 N MET A 62 15.916 5.999 1.370 1.00 0.00 N ATOM 973 CA MET A 62 16.107 6.346 2.773 1.00 0.00 C ATOM 974 C MET A 62 15.672 5.201 3.681 1.00 0.00 C ATOM 975 O MET A 62 14.561 5.186 4.212 1.00 0.00 O ATOM 976 CB MET A 62 15.322 7.613 3.118 1.00 0.00 C ATOM 977 CG MET A 62 15.890 8.376 4.304 1.00 0.00 C ATOM 978 SD MET A 62 15.883 7.404 5.823 1.00 0.00 S ATOM 979 CE MET A 62 17.193 8.206 6.744 1.00 0.00 C ATOM 0 H MET A 62 14.942 5.877 1.094 1.00 0.00 H new ATOM 0 HA MET A 62 17.169 6.530 2.935 1.00 0.00 H new ATOM 0 HB2 MET A 62 15.307 8.269 2.248 1.00 0.00 H new ATOM 0 HB3 MET A 62 14.288 7.343 3.332 1.00 0.00 H new ATOM 0 HG2 MET A 62 16.911 8.683 4.078 1.00 0.00 H new ATOM 0 HG3 MET A 62 15.310 9.286 4.457 1.00 0.00 H new ATOM 0 HE1 MET A 62 17.310 7.716 7.711 1.00 0.00 H new ATOM 0 HE2 MET A 62 18.126 8.135 6.186 1.00 0.00 H new ATOM 0 HE3 MET A 62 16.941 9.255 6.897 1.00 0.00 H new ATOM 989 N PRO A 63 16.565 4.217 3.865 1.00 0.00 N ATOM 990 CA PRO A 63 16.295 3.049 4.709 1.00 0.00 C ATOM 991 C PRO A 63 16.236 3.406 6.190 1.00 0.00 C ATOM 992 O PRO A 63 16.876 4.358 6.635 1.00 0.00 O ATOM 993 CB PRO A 63 17.483 2.126 4.427 1.00 0.00 C ATOM 994 CG PRO A 63 18.577 3.038 3.993 1.00 0.00 C ATOM 995 CD PRO A 63 17.908 4.169 3.263 1.00 0.00 C ATOM 0 HA PRO A 63 15.327 2.600 4.487 1.00 0.00 H new ATOM 0 HB2 PRO A 63 17.767 1.563 5.316 1.00 0.00 H new ATOM 0 HB3 PRO A 63 17.243 1.398 3.652 1.00 0.00 H new ATOM 0 HG2 PRO A 63 19.141 3.406 4.850 1.00 0.00 H new ATOM 0 HG3 PRO A 63 19.284 2.519 3.345 1.00 0.00 H new ATOM 0 HD2 PRO A 63 18.444 5.108 3.400 1.00 0.00 H new ATOM 0 HD3 PRO A 63 17.861 3.983 2.190 1.00 0.00 H new ATOM 1003 N GLY A 64 15.465 2.634 6.950 1.00 0.00 N ATOM 1004 CA GLY A 64 15.338 2.885 8.374 1.00 0.00 C ATOM 1005 C GLY A 64 14.360 4.002 8.681 1.00 0.00 C ATOM 1006 O GLY A 64 14.476 4.673 9.706 1.00 0.00 O ATOM 0 H GLY A 64 14.926 1.840 6.605 1.00 0.00 H new ATOM 0 HA2 GLY A 64 15.011 1.973 8.873 1.00 0.00 H new ATOM 0 HA3 GLY A 64 16.316 3.139 8.784 1.00 0.00 H new ATOM 1010 N ARG A 65 13.395 4.202 7.790 1.00 0.00 N ATOM 1011 CA ARG A 65 12.394 5.247 7.970 1.00 0.00 C ATOM 1012 C ARG A 65 11.094 4.883 7.259 1.00 0.00 C ATOM 1013 O ARG A 65 11.108 4.414 6.122 1.00 0.00 O ATOM 1014 CB ARG A 65 12.920 6.583 7.440 1.00 0.00 C ATOM 1015 CG ARG A 65 12.268 7.794 8.087 1.00 0.00 C ATOM 1016 CD ARG A 65 12.889 9.091 7.594 1.00 0.00 C ATOM 1017 NE ARG A 65 11.936 10.198 7.616 1.00 0.00 N ATOM 1018 CZ ARG A 65 10.952 10.337 6.735 1.00 0.00 C ATOM 1019 NH1 ARG A 65 10.791 9.444 5.769 1.00 0.00 N ATOM 1020 NH2 ARG A 65 10.125 11.371 6.821 1.00 0.00 N ATOM 0 H ARG A 65 13.285 3.655 6.936 1.00 0.00 H new ATOM 0 HA ARG A 65 12.191 5.341 9.037 1.00 0.00 H new ATOM 0 HB2 ARG A 65 13.997 6.630 7.603 1.00 0.00 H new ATOM 0 HB3 ARG A 65 12.758 6.626 6.363 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.200 7.794 7.868 1.00 0.00 H new ATOM 0 HG3 ARG A 65 12.371 7.729 9.170 1.00 0.00 H new ATOM 0 HD2 ARG A 65 13.749 9.341 8.216 1.00 0.00 H new ATOM 0 HD3 ARG A 65 13.260 8.952 6.578 1.00 0.00 H new ATOM 0 HE ARG A 65 12.032 10.902 8.348 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.424 8.647 5.701 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.034 9.554 5.094 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.245 12.060 7.564 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.369 11.477 6.144 1.00 0.00 H new ATOM 1034 N GLU A 66 9.973 5.103 7.938 1.00 0.00 N ATOM 1035 CA GLU A 66 8.664 4.796 7.372 1.00 0.00 C ATOM 1036 C GLU A 66 7.764 6.028 7.384 1.00 0.00 C ATOM 1037 O GLU A 66 7.779 6.811 8.334 1.00 0.00 O ATOM 1038 CB GLU A 66 8.001 3.658 8.150 1.00 0.00 C ATOM 1039 CG GLU A 66 8.807 2.370 8.150 1.00 0.00 C ATOM 1040 CD GLU A 66 8.575 1.537 9.396 1.00 0.00 C ATOM 1041 OE1 GLU A 66 7.415 1.459 9.851 1.00 0.00 O ATOM 1042 OE2 GLU A 66 9.555 0.963 9.916 1.00 0.00 O ATOM 0 H GLU A 66 9.944 5.492 8.880 1.00 0.00 H new ATOM 0 HA GLU A 66 8.808 4.483 6.338 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.843 3.977 9.180 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.018 3.461 7.722 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.545 1.782 7.270 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.867 2.609 8.070 1.00 0.00 H new ATOM 1049 N ILE A 67 6.982 6.193 6.322 1.00 0.00 N ATOM 1050 CA ILE A 67 6.075 7.328 6.211 1.00 0.00 C ATOM 1051 C ILE A 67 4.624 6.891 6.380 1.00 0.00 C ATOM 1052 O ILE A 67 4.034 6.301 5.476 1.00 0.00 O ATOM 1053 CB ILE A 67 6.230 8.042 4.855 1.00 0.00 C ATOM 1054 CG1 ILE A 67 7.657 8.569 4.691 1.00 0.00 C ATOM 1055 CG2 ILE A 67 5.223 9.176 4.735 1.00 0.00 C ATOM 1056 CD1 ILE A 67 8.646 7.510 4.257 1.00 0.00 C ATOM 0 H ILE A 67 6.959 5.555 5.527 1.00 0.00 H new ATOM 0 HA ILE A 67 6.338 8.021 7.010 1.00 0.00 H new ATOM 0 HB ILE A 67 6.035 7.324 4.059 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.656 9.376 3.958 1.00 0.00 H new ATOM 0 HG13 ILE A 67 7.988 8.998 5.637 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.345 9.671 3.771 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.212 8.775 4.811 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.389 9.896 5.536 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.636 7.955 4.161 1.00 0.00 H new ATOM 0 HD12 ILE A 67 8.676 6.714 5.001 1.00 0.00 H new ATOM 0 HD13 ILE A 67 8.339 7.097 3.296 1.00 0.00 H new ATOM 1068 N GLU A 68 4.054 7.187 7.544 1.00 0.00 N ATOM 1069 CA GLU A 68 2.671 6.825 7.831 1.00 0.00 C ATOM 1070 C GLU A 68 1.706 7.641 6.976 1.00 0.00 C ATOM 1071 O GLU A 68 1.486 8.826 7.228 1.00 0.00 O ATOM 1072 CB GLU A 68 2.361 7.039 9.314 1.00 0.00 C ATOM 1073 CG GLU A 68 3.184 6.159 10.241 1.00 0.00 C ATOM 1074 CD GLU A 68 2.529 5.965 11.594 1.00 0.00 C ATOM 1075 OE1 GLU A 68 1.501 5.259 11.660 1.00 0.00 O ATOM 1076 OE2 GLU A 68 3.044 6.519 12.588 1.00 0.00 O ATOM 0 H GLU A 68 4.528 7.676 8.303 1.00 0.00 H new ATOM 0 HA GLU A 68 2.541 5.770 7.589 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.539 8.084 9.567 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.303 6.845 9.487 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.336 5.187 9.772 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.169 6.604 10.379 1.00 0.00 H new ATOM 1083 N LEU A 69 1.135 7.000 5.963 1.00 0.00 N ATOM 1084 CA LEU A 69 0.194 7.665 5.069 1.00 0.00 C ATOM 1085 C LEU A 69 -1.072 8.073 5.816 1.00 0.00 C ATOM 1086 O LEU A 69 -1.983 7.266 5.999 1.00 0.00 O ATOM 1087 CB LEU A 69 -0.164 6.748 3.898 1.00 0.00 C ATOM 1088 CG LEU A 69 1.009 6.055 3.204 1.00 0.00 C ATOM 1089 CD1 LEU A 69 0.509 4.965 2.270 1.00 0.00 C ATOM 1090 CD2 LEU A 69 1.851 7.069 2.442 1.00 0.00 C ATOM 0 H LEU A 69 1.307 6.020 5.740 1.00 0.00 H new ATOM 0 HA LEU A 69 0.672 8.565 4.684 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.850 5.982 4.259 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.704 7.335 3.155 1.00 0.00 H new ATOM 0 HG LEU A 69 1.635 5.591 3.966 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.358 4.483 1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.051 4.225 2.842 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.140 5.404 1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.682 6.559 1.954 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.235 7.561 1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.240 7.814 3.136 1.00 0.00 H new ATOM 1102 N GLU A 70 -1.122 9.331 6.243 1.00 0.00 N ATOM 1103 CA GLU A 70 -2.277 9.845 6.969 1.00 0.00 C ATOM 1104 C GLU A 70 -3.404 10.214 6.008 1.00 0.00 C ATOM 1105 O GLU A 70 -4.515 9.696 6.109 1.00 0.00 O ATOM 1106 CB GLU A 70 -1.882 11.067 7.801 1.00 0.00 C ATOM 1107 CG GLU A 70 -0.644 10.847 8.654 1.00 0.00 C ATOM 1108 CD GLU A 70 -0.910 9.956 9.852 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -1.798 10.300 10.660 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -0.232 8.916 9.981 1.00 0.00 O ATOM 0 H GLU A 70 -0.377 10.012 6.099 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.633 9.060 7.636 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.708 11.910 7.133 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.715 11.340 8.448 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.140 10.401 8.042 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.269 11.811 8.999 1.00 0.00 H new ATOM 1117 N ASN A 71 -3.107 11.113 5.075 1.00 0.00 N ATOM 1118 CA ASN A 71 -4.094 11.553 4.096 1.00 0.00 C ATOM 1119 C ASN A 71 -4.657 10.366 3.320 1.00 0.00 C ATOM 1120 O ASN A 71 -3.912 9.609 2.697 1.00 0.00 O ATOM 1121 CB ASN A 71 -3.470 12.560 3.128 1.00 0.00 C ATOM 1122 CG ASN A 71 -4.495 13.514 2.545 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -5.531 12.961 1.924 1.00 0.00 O flip ATOM 1124 ND2 ASN A 71 -4.357 14.732 2.652 1.00 0.00 N flip ATOM 0 H ASN A 71 -2.191 11.551 4.977 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.912 12.034 4.633 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.701 13.131 3.648 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.976 12.023 2.318 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.545 15.113 3.138 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.055 15.361 2.255 1.00 0.00 H new ATOM 1131 N ASP A 72 -5.975 10.211 3.361 1.00 0.00 N ATOM 1132 CA ASP A 72 -6.638 9.117 2.660 1.00 0.00 C ATOM 1133 C ASP A 72 -7.139 9.572 1.293 1.00 0.00 C ATOM 1134 O ASP A 72 -7.256 8.771 0.364 1.00 0.00 O ATOM 1135 CB ASP A 72 -7.805 8.583 3.492 1.00 0.00 C ATOM 1136 CG ASP A 72 -8.460 9.663 4.331 1.00 0.00 C ATOM 1137 OD1 ASP A 72 -8.923 10.666 3.750 1.00 0.00 O ATOM 1138 OD2 ASP A 72 -8.508 9.505 5.569 1.00 0.00 O ATOM 0 H ASP A 72 -6.606 10.829 3.872 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.911 8.319 2.513 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.549 8.142 2.828 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.448 7.787 4.145 1.00 0.00 H new ATOM 1143 N LEU A 73 -7.434 10.862 1.176 1.00 0.00 N ATOM 1144 CA LEU A 73 -7.923 11.424 -0.078 1.00 0.00 C ATOM 1145 C LEU A 73 -6.764 11.853 -0.972 1.00 0.00 C ATOM 1146 O LEU A 73 -6.920 12.716 -1.835 1.00 0.00 O ATOM 1147 CB LEU A 73 -8.838 12.619 0.198 1.00 0.00 C ATOM 1148 CG LEU A 73 -10.175 12.299 0.868 1.00 0.00 C ATOM 1149 CD1 LEU A 73 -10.961 13.575 1.125 1.00 0.00 C ATOM 1150 CD2 LEU A 73 -10.983 11.335 0.012 1.00 0.00 C ATOM 0 H LEU A 73 -7.343 11.538 1.934 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.491 10.651 -0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.299 13.326 0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.039 13.123 -0.747 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.975 11.821 1.827 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -11.909 13.328 1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -10.386 14.231 1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -11.152 14.082 0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.931 11.118 0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.174 11.786 -0.962 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.423 10.409 -0.120 1.00 0.00 H new ATOM 1162 N GLN A 74 -5.602 11.243 -0.759 1.00 0.00 N ATOM 1163 CA GLN A 74 -4.417 11.561 -1.547 1.00 0.00 C ATOM 1164 C GLN A 74 -3.811 10.299 -2.152 1.00 0.00 C ATOM 1165 O GLN A 74 -3.759 9.242 -1.522 1.00 0.00 O ATOM 1166 CB GLN A 74 -3.379 12.275 -0.679 1.00 0.00 C ATOM 1167 CG GLN A 74 -3.730 13.723 -0.378 1.00 0.00 C ATOM 1168 CD GLN A 74 -3.597 14.620 -1.593 1.00 0.00 C ATOM 1169 OE1 GLN A 74 -2.763 14.381 -2.467 1.00 0.00 O ATOM 1170 NE2 GLN A 74 -4.419 15.661 -1.653 1.00 0.00 N ATOM 0 H GLN A 74 -5.456 10.526 -0.048 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.718 12.222 -2.359 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.269 11.734 0.261 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.412 12.241 -1.181 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -4.752 13.775 -0.003 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -3.080 14.093 0.415 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -5.095 15.821 -0.906 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -4.375 16.301 -2.446 1.00 0.00 H new ATOM 1179 N PRO A 75 -3.341 10.409 -3.403 1.00 0.00 N ATOM 1180 CA PRO A 75 -2.729 9.287 -4.121 1.00 0.00 C ATOM 1181 C PRO A 75 -1.373 8.898 -3.541 1.00 0.00 C ATOM 1182 O PRO A 75 -0.809 9.619 -2.717 1.00 0.00 O ATOM 1183 CB PRO A 75 -2.568 9.822 -5.546 1.00 0.00 C ATOM 1184 CG PRO A 75 -2.493 11.302 -5.388 1.00 0.00 C ATOM 1185 CD PRO A 75 -3.370 11.638 -4.214 1.00 0.00 C ATOM 0 HA PRO A 75 -3.335 8.383 -4.057 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -1.668 9.428 -6.018 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.410 9.533 -6.175 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.467 11.624 -5.213 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.837 11.809 -6.290 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.988 12.495 -3.659 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.383 11.888 -4.528 1.00 0.00 H new ATOM 1193 N LEU A 76 -0.855 7.755 -3.977 1.00 0.00 N ATOM 1194 CA LEU A 76 0.436 7.270 -3.501 1.00 0.00 C ATOM 1195 C LEU A 76 1.570 8.155 -4.009 1.00 0.00 C ATOM 1196 O LEU A 76 2.575 8.346 -3.324 1.00 0.00 O ATOM 1197 CB LEU A 76 0.659 5.826 -3.954 1.00 0.00 C ATOM 1198 CG LEU A 76 -0.206 4.767 -3.268 1.00 0.00 C ATOM 1199 CD1 LEU A 76 0.084 4.725 -1.776 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -1.682 5.039 -3.519 1.00 0.00 C ATOM 0 H LEU A 76 -1.309 7.147 -4.659 1.00 0.00 H new ATOM 0 HA LEU A 76 0.431 7.306 -2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.482 5.772 -5.028 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.706 5.573 -3.791 1.00 0.00 H new ATOM 0 HG LEU A 76 0.041 3.794 -3.692 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.541 3.966 -1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.134 4.481 -1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.133 5.698 -1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.282 4.276 -3.024 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.944 6.020 -3.123 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.879 5.016 -4.591 1.00 0.00 H new ATOM 1212 N GLN A 77 1.401 8.693 -5.212 1.00 0.00 N ATOM 1213 CA GLN A 77 2.410 9.559 -5.810 1.00 0.00 C ATOM 1214 C GLN A 77 2.634 10.804 -4.958 1.00 0.00 C ATOM 1215 O GLN A 77 3.704 11.411 -4.996 1.00 0.00 O ATOM 1216 CB GLN A 77 1.992 9.963 -7.225 1.00 0.00 C ATOM 1217 CG GLN A 77 0.871 10.989 -7.258 1.00 0.00 C ATOM 1218 CD GLN A 77 0.733 11.660 -8.610 1.00 0.00 C ATOM 1219 OE1 GLN A 77 1.218 11.150 -9.621 1.00 0.00 O ATOM 1220 NE2 GLN A 77 0.069 12.809 -8.637 1.00 0.00 N ATOM 0 H GLN A 77 0.575 8.545 -5.792 1.00 0.00 H new ATOM 0 HA GLN A 77 3.346 9.003 -5.860 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.858 10.366 -7.750 1.00 0.00 H new ATOM 0 HB3 GLN A 77 1.675 9.073 -7.769 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -0.070 10.502 -7.001 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.056 11.748 -6.497 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.316 13.196 -7.775 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.056 13.305 -9.519 1.00 0.00 H new ATOM 1229 N PHE A 78 1.617 11.179 -4.189 1.00 0.00 N ATOM 1230 CA PHE A 78 1.702 12.352 -3.327 1.00 0.00 C ATOM 1231 C PHE A 78 2.649 12.101 -2.157 1.00 0.00 C ATOM 1232 O PHE A 78 3.108 13.038 -1.503 1.00 0.00 O ATOM 1233 CB PHE A 78 0.315 12.728 -2.803 1.00 0.00 C ATOM 1234 CG PHE A 78 0.319 13.936 -1.910 1.00 0.00 C ATOM 1235 CD1 PHE A 78 0.657 15.183 -2.410 1.00 0.00 C ATOM 1236 CD2 PHE A 78 -0.017 13.824 -0.570 1.00 0.00 C ATOM 1237 CE1 PHE A 78 0.662 16.295 -1.590 1.00 0.00 C ATOM 1238 CE2 PHE A 78 -0.014 14.933 0.255 1.00 0.00 C ATOM 1239 CZ PHE A 78 0.324 16.170 -0.256 1.00 0.00 C ATOM 0 H PHE A 78 0.724 10.687 -4.145 1.00 0.00 H new ATOM 0 HA PHE A 78 2.096 13.178 -3.919 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.346 12.914 -3.649 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.099 11.882 -2.255 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.920 15.287 -3.452 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.284 12.859 -0.166 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.930 17.261 -1.991 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.276 14.832 1.298 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.324 17.039 0.386 1.00 0.00 H new ATOM 1249 N TYR A 79 2.937 10.830 -1.900 1.00 0.00 N ATOM 1250 CA TYR A 79 3.827 10.454 -0.807 1.00 0.00 C ATOM 1251 C TYR A 79 5.198 10.047 -1.337 1.00 0.00 C ATOM 1252 O TYR A 79 5.990 9.425 -0.630 1.00 0.00 O ATOM 1253 CB TYR A 79 3.219 9.306 0.001 1.00 0.00 C ATOM 1254 CG TYR A 79 2.134 9.747 0.957 1.00 0.00 C ATOM 1255 CD1 TYR A 79 2.443 10.155 2.249 1.00 0.00 C ATOM 1256 CD2 TYR A 79 0.800 9.757 0.569 1.00 0.00 C ATOM 1257 CE1 TYR A 79 1.455 10.557 3.127 1.00 0.00 C ATOM 1258 CE2 TYR A 79 -0.194 10.159 1.439 1.00 0.00 C ATOM 1259 CZ TYR A 79 0.138 10.558 2.717 1.00 0.00 C ATOM 1260 OH TYR A 79 -0.849 10.960 3.588 1.00 0.00 O ATOM 0 H TYR A 79 2.568 10.043 -2.433 1.00 0.00 H new ATOM 0 HA TYR A 79 3.951 11.321 -0.158 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.808 8.567 -0.686 1.00 0.00 H new ATOM 0 HB3 TYR A 79 4.010 8.811 0.565 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.473 10.158 2.572 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.536 9.445 -0.431 1.00 0.00 H new ATOM 0 HE1 TYR A 79 1.712 10.869 4.129 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.226 10.161 1.121 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.730 11.909 3.802 1.00 0.00 H new ATOM 1270 N SER A 80 5.472 10.405 -2.588 1.00 0.00 N ATOM 1271 CA SER A 80 6.746 10.075 -3.216 1.00 0.00 C ATOM 1272 C SER A 80 6.968 8.566 -3.236 1.00 0.00 C ATOM 1273 O SER A 80 8.045 8.080 -2.890 1.00 0.00 O ATOM 1274 CB SER A 80 7.896 10.761 -2.475 1.00 0.00 C ATOM 1275 OG SER A 80 9.142 10.465 -3.082 1.00 0.00 O ATOM 0 H SER A 80 4.829 10.923 -3.186 1.00 0.00 H new ATOM 0 HA SER A 80 6.719 10.434 -4.245 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.737 11.839 -2.470 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.908 10.436 -1.435 1.00 0.00 H new ATOM 0 HG SER A 80 9.244 9.494 -3.164 1.00 0.00 H new ATOM 1281 N VAL A 81 5.940 7.829 -3.643 1.00 0.00 N ATOM 1282 CA VAL A 81 6.020 6.374 -3.710 1.00 0.00 C ATOM 1283 C VAL A 81 6.268 5.903 -5.139 1.00 0.00 C ATOM 1284 O VAL A 81 5.533 6.264 -6.057 1.00 0.00 O ATOM 1285 CB VAL A 81 4.733 5.716 -3.179 1.00 0.00 C ATOM 1286 CG1 VAL A 81 4.669 4.255 -3.597 1.00 0.00 C ATOM 1287 CG2 VAL A 81 4.652 5.850 -1.666 1.00 0.00 C ATOM 0 H VAL A 81 5.041 8.215 -3.932 1.00 0.00 H new ATOM 0 HA VAL A 81 6.858 6.073 -3.081 1.00 0.00 H new ATOM 0 HB VAL A 81 3.876 6.231 -3.613 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.753 3.806 -3.213 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.678 4.187 -4.685 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.530 3.723 -3.193 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.736 5.380 -1.308 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.513 5.361 -1.211 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.648 6.905 -1.394 1.00 0.00 H new ATOM 1297 N GLU A 82 7.307 5.094 -5.317 1.00 0.00 N ATOM 1298 CA GLU A 82 7.651 4.573 -6.635 1.00 0.00 C ATOM 1299 C GLU A 82 7.881 3.066 -6.582 1.00 0.00 C ATOM 1300 O GLU A 82 8.130 2.503 -5.516 1.00 0.00 O ATOM 1301 CB GLU A 82 8.901 5.272 -7.174 1.00 0.00 C ATOM 1302 CG GLU A 82 10.151 5.002 -6.353 1.00 0.00 C ATOM 1303 CD GLU A 82 11.424 5.153 -7.162 1.00 0.00 C ATOM 1304 OE1 GLU A 82 11.441 4.707 -8.329 1.00 0.00 O ATOM 1305 OE2 GLU A 82 12.404 5.716 -6.630 1.00 0.00 O ATOM 0 H GLU A 82 7.925 4.785 -4.566 1.00 0.00 H new ATOM 0 HA GLU A 82 6.815 4.772 -7.305 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.074 4.949 -8.200 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.722 6.347 -7.204 1.00 0.00 H new ATOM 0 HG2 GLU A 82 10.180 5.687 -5.506 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.102 3.993 -5.945 1.00 0.00 H new ATOM 1312 N ASN A 83 7.796 2.418 -7.739 1.00 0.00 N ATOM 1313 CA ASN A 83 7.993 0.976 -7.825 1.00 0.00 C ATOM 1314 C ASN A 83 9.253 0.554 -7.074 1.00 0.00 C ATOM 1315 O ASN A 83 10.270 1.245 -7.109 1.00 0.00 O ATOM 1316 CB ASN A 83 8.088 0.539 -9.288 1.00 0.00 C ATOM 1317 CG ASN A 83 9.414 0.915 -9.919 1.00 0.00 C ATOM 1318 OD1 ASN A 83 10.361 0.128 -9.917 1.00 0.00 O ATOM 1319 ND2 ASN A 83 9.488 2.124 -10.464 1.00 0.00 N ATOM 0 H ASN A 83 7.592 2.869 -8.631 1.00 0.00 H new ATOM 0 HA ASN A 83 7.134 0.489 -7.363 1.00 0.00 H new ATOM 0 HB2 ASN A 83 7.952 -0.541 -9.351 1.00 0.00 H new ATOM 0 HB3 ASN A 83 7.277 0.996 -9.854 1.00 0.00 H new ATOM 0 HD21 ASN A 83 10.355 2.433 -10.904 1.00 0.00 H new ATOM 0 HD22 ASN A 83 8.678 2.743 -10.443 1.00 0.00 H new ATOM 1326 N GLY A 84 9.177 -0.587 -6.396 1.00 0.00 N ATOM 1327 CA GLY A 84 10.317 -1.082 -5.647 1.00 0.00 C ATOM 1328 C GLY A 84 10.121 -0.965 -4.148 1.00 0.00 C ATOM 1329 O GLY A 84 10.515 -1.853 -3.392 1.00 0.00 O ATOM 0 H GLY A 84 8.346 -1.177 -6.352 1.00 0.00 H new ATOM 0 HA2 GLY A 84 10.493 -2.126 -5.907 1.00 0.00 H new ATOM 0 HA3 GLY A 84 11.208 -0.526 -5.938 1.00 0.00 H new ATOM 1333 N ASP A 85 9.513 0.135 -3.717 1.00 0.00 N ATOM 1334 CA ASP A 85 9.267 0.366 -2.299 1.00 0.00 C ATOM 1335 C ASP A 85 8.498 -0.799 -1.683 1.00 0.00 C ATOM 1336 O ASP A 85 8.054 -1.705 -2.390 1.00 0.00 O ATOM 1337 CB ASP A 85 8.489 1.668 -2.100 1.00 0.00 C ATOM 1338 CG ASP A 85 9.126 2.839 -2.822 1.00 0.00 C ATOM 1339 OD1 ASP A 85 10.360 2.819 -3.010 1.00 0.00 O ATOM 1340 OD2 ASP A 85 8.390 3.776 -3.197 1.00 0.00 O ATOM 0 H ASP A 85 9.182 0.880 -4.330 1.00 0.00 H new ATOM 0 HA ASP A 85 10.231 0.447 -1.797 1.00 0.00 H new ATOM 0 HB2 ASP A 85 7.468 1.536 -2.458 1.00 0.00 H new ATOM 0 HB3 ASP A 85 8.427 1.892 -1.035 1.00 0.00 H new ATOM 1345 N CYS A 86 8.347 -0.770 -0.364 1.00 0.00 N ATOM 1346 CA CYS A 86 7.634 -1.825 0.347 1.00 0.00 C ATOM 1347 C CYS A 86 6.389 -1.273 1.033 1.00 0.00 C ATOM 1348 O CYS A 86 6.365 -0.120 1.465 1.00 0.00 O ATOM 1349 CB CYS A 86 8.551 -2.483 1.379 1.00 0.00 C ATOM 1350 SG CYS A 86 9.840 -3.529 0.662 1.00 0.00 S ATOM 0 H CYS A 86 8.709 -0.028 0.235 1.00 0.00 H new ATOM 0 HA CYS A 86 7.323 -2.574 -0.381 1.00 0.00 H new ATOM 0 HB2 CYS A 86 9.022 -1.705 1.979 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.945 -3.085 2.056 1.00 0.00 H new ATOM 0 HG CYS A 86 10.565 -4.038 1.614 1.00 0.00 H new ATOM 1356 N LEU A 87 5.356 -2.102 1.129 1.00 0.00 N ATOM 1357 CA LEU A 87 4.105 -1.697 1.762 1.00 0.00 C ATOM 1358 C LEU A 87 3.965 -2.326 3.145 1.00 0.00 C ATOM 1359 O LEU A 87 3.994 -3.549 3.288 1.00 0.00 O ATOM 1360 CB LEU A 87 2.915 -2.093 0.886 1.00 0.00 C ATOM 1361 CG LEU A 87 2.627 -1.182 -0.307 1.00 0.00 C ATOM 1362 CD1 LEU A 87 1.542 -1.782 -1.187 1.00 0.00 C ATOM 1363 CD2 LEU A 87 2.224 0.207 0.168 1.00 0.00 C ATOM 0 H LEU A 87 5.359 -3.059 0.777 1.00 0.00 H new ATOM 0 HA LEU A 87 4.119 -0.613 1.876 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.084 -3.103 0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.024 -2.129 1.513 1.00 0.00 H new ATOM 0 HG LEU A 87 3.538 -1.092 -0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.350 -1.120 -2.031 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.869 -2.754 -1.556 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.628 -1.903 -0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.023 0.842 -0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.327 0.135 0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.033 0.639 0.756 1.00 0.00 H new ATOM 1375 N LEU A 88 3.812 -1.483 4.160 1.00 0.00 N ATOM 1376 CA LEU A 88 3.665 -1.956 5.532 1.00 0.00 C ATOM 1377 C LEU A 88 2.246 -1.723 6.039 1.00 0.00 C ATOM 1378 O LEU A 88 1.862 -0.594 6.345 1.00 0.00 O ATOM 1379 CB LEU A 88 4.668 -1.250 6.446 1.00 0.00 C ATOM 1380 CG LEU A 88 6.122 -1.246 5.971 1.00 0.00 C ATOM 1381 CD1 LEU A 88 6.885 -0.089 6.598 1.00 0.00 C ATOM 1382 CD2 LEU A 88 6.794 -2.571 6.300 1.00 0.00 C ATOM 0 H LEU A 88 3.786 -0.468 4.059 1.00 0.00 H new ATOM 0 HA LEU A 88 3.864 -3.028 5.544 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.346 -0.217 6.576 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.629 -1.722 7.428 1.00 0.00 H new ATOM 0 HG LEU A 88 6.130 -1.116 4.889 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.917 -0.102 6.249 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.417 0.853 6.312 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.868 -0.188 7.683 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.828 -2.550 5.955 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.774 -2.731 7.378 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.262 -3.382 5.803 1.00 0.00 H new ATOM 1394 N VAL A 89 1.470 -2.799 6.128 1.00 0.00 N ATOM 1395 CA VAL A 89 0.094 -2.713 6.602 1.00 0.00 C ATOM 1396 C VAL A 89 0.014 -2.953 8.105 1.00 0.00 C ATOM 1397 O VAL A 89 0.475 -3.980 8.605 1.00 0.00 O ATOM 1398 CB VAL A 89 -0.812 -3.729 5.881 1.00 0.00 C ATOM 1399 CG1 VAL A 89 -2.246 -3.610 6.376 1.00 0.00 C ATOM 1400 CG2 VAL A 89 -0.741 -3.531 4.375 1.00 0.00 C ATOM 0 H VAL A 89 1.771 -3.741 5.878 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.255 -1.705 6.380 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.456 -4.734 6.109 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.872 -4.335 5.856 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.278 -3.806 7.448 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.616 -2.604 6.179 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.387 -4.257 3.882 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.071 -2.523 4.125 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.286 -3.671 4.038 1.00 0.00 H new ATOM 1410 N ARG A 90 -0.574 -2.000 8.821 1.00 0.00 N ATOM 1411 CA ARG A 90 -0.714 -2.108 10.268 1.00 0.00 C ATOM 1412 C ARG A 90 -1.825 -1.193 10.776 1.00 0.00 C ATOM 1413 O ARG A 90 -1.969 -0.061 10.316 1.00 0.00 O ATOM 1414 CB ARG A 90 0.606 -1.757 10.957 1.00 0.00 C ATOM 1415 CG ARG A 90 1.046 -0.319 10.733 1.00 0.00 C ATOM 1416 CD ARG A 90 2.041 0.130 11.791 1.00 0.00 C ATOM 1417 NE ARG A 90 2.970 1.134 11.279 1.00 0.00 N ATOM 1418 CZ ARG A 90 4.140 1.410 11.844 1.00 0.00 C ATOM 1419 NH1 ARG A 90 4.522 0.760 12.935 1.00 0.00 N ATOM 1420 NH2 ARG A 90 4.930 2.338 11.319 1.00 0.00 N ATOM 0 H ARG A 90 -0.961 -1.145 8.422 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.978 -3.138 10.507 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.506 -1.935 12.028 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.385 -2.427 10.594 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.497 -0.225 9.745 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.175 0.336 10.750 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.502 0.538 12.646 1.00 0.00 H new ATOM 0 HD3 ARG A 90 2.602 -0.733 12.150 1.00 0.00 H new ATOM 0 HE ARG A 90 2.706 1.652 10.441 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.917 0.047 13.342 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.421 0.973 13.367 1.00 0.00 H new ATOM 0 HH21 ARG A 90 4.639 2.841 10.480 1.00 0.00 H new ATOM 0 HH22 ARG A 90 5.828 2.549 11.754 1.00 0.00 H new ATOM 1434 N TRP A 91 -2.606 -1.693 11.727 1.00 0.00 N ATOM 1435 CA TRP A 91 -3.704 -0.921 12.297 1.00 0.00 C ATOM 1436 C TRP A 91 -3.474 -0.661 13.782 1.00 0.00 C ATOM 1437 O TRP A 91 -2.469 -1.092 14.348 1.00 0.00 O ATOM 1438 CB TRP A 91 -5.030 -1.655 12.095 1.00 0.00 C ATOM 1439 CG TRP A 91 -4.977 -3.098 12.497 1.00 0.00 C ATOM 1440 CD1 TRP A 91 -5.439 -3.642 13.662 1.00 0.00 C ATOM 1441 CD2 TRP A 91 -4.431 -4.180 11.736 1.00 0.00 C ATOM 1442 NE1 TRP A 91 -5.212 -4.997 13.671 1.00 0.00 N ATOM 1443 CE2 TRP A 91 -4.595 -5.352 12.500 1.00 0.00 C ATOM 1444 CE3 TRP A 91 -3.820 -4.274 10.482 1.00 0.00 C ATOM 1445 CZ2 TRP A 91 -4.170 -6.600 12.051 1.00 0.00 C ATOM 1446 CZ3 TRP A 91 -3.398 -5.513 10.038 1.00 0.00 C ATOM 1447 CH2 TRP A 91 -3.575 -6.662 10.820 1.00 0.00 C ATOM 0 H TRP A 91 -2.499 -2.629 12.119 1.00 0.00 H new ATOM 0 HA TRP A 91 -3.746 0.038 11.781 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -5.807 -1.153 12.672 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -5.318 -1.588 11.046 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -5.913 -3.088 14.459 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -5.462 -5.635 14.426 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -3.680 -3.394 9.871 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -4.305 -7.487 12.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -2.924 -5.597 9.071 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -3.235 -7.616 10.444 1.00 0.00 H new ATOM 1458 N SER A 92 -4.410 0.044 14.407 1.00 0.00 N ATOM 1459 CA SER A 92 -4.307 0.364 15.826 1.00 0.00 C ATOM 1460 C SER A 92 -5.690 0.501 16.455 1.00 0.00 C ATOM 1461 O SER A 92 -6.460 1.392 16.099 1.00 0.00 O ATOM 1462 CB SER A 92 -3.514 1.657 16.023 1.00 0.00 C ATOM 1463 OG SER A 92 -4.378 2.779 16.092 1.00 0.00 O ATOM 0 H SER A 92 -5.249 0.405 13.953 1.00 0.00 H new ATOM 0 HA SER A 92 -3.783 -0.454 16.320 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.925 1.591 16.938 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.811 1.785 15.200 1.00 0.00 H new ATOM 0 HG SER A 92 -5.270 2.525 15.775 1.00 0.00 H new ATOM 1469 N GLY A 93 -5.998 -0.390 17.393 1.00 0.00 N ATOM 1470 CA GLY A 93 -7.288 -0.352 18.056 1.00 0.00 C ATOM 1471 C GLY A 93 -7.262 -1.026 19.414 1.00 0.00 C ATOM 1472 O GLY A 93 -7.813 -2.110 19.604 1.00 0.00 O ATOM 0 H GLY A 93 -5.377 -1.137 17.705 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -7.602 0.685 18.174 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -8.032 -0.840 17.426 1.00 0.00 H new ATOM 1476 N PRO A 94 -6.606 -0.377 20.388 1.00 0.00 N ATOM 1477 CA PRO A 94 -6.493 -0.903 21.752 1.00 0.00 C ATOM 1478 C PRO A 94 -7.823 -0.876 22.496 1.00 0.00 C ATOM 1479 O PRO A 94 -8.390 0.191 22.734 1.00 0.00 O ATOM 1480 CB PRO A 94 -5.490 0.045 22.415 1.00 0.00 C ATOM 1481 CG PRO A 94 -5.606 1.317 21.647 1.00 0.00 C ATOM 1482 CD PRO A 94 -5.925 0.919 20.233 1.00 0.00 C ATOM 0 HA PRO A 94 -6.184 -1.948 21.762 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -5.725 0.196 23.469 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -4.477 -0.355 22.368 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -6.390 1.952 22.060 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -4.678 1.886 21.692 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.565 1.653 19.744 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.023 0.829 19.628 1.00 0.00 H new ATOM 1490 N SER A 95 -8.316 -2.055 22.860 1.00 0.00 N ATOM 1491 CA SER A 95 -9.583 -2.166 23.574 1.00 0.00 C ATOM 1492 C SER A 95 -9.390 -1.910 25.066 1.00 0.00 C ATOM 1493 O SER A 95 -8.508 -2.492 25.698 1.00 0.00 O ATOM 1494 CB SER A 95 -10.194 -3.552 23.359 1.00 0.00 C ATOM 1495 OG SER A 95 -10.776 -3.658 22.071 1.00 0.00 O ATOM 0 H SER A 95 -7.858 -2.947 22.673 1.00 0.00 H new ATOM 0 HA SER A 95 -10.262 -1.411 23.178 1.00 0.00 H new ATOM 0 HB2 SER A 95 -9.424 -4.315 23.478 1.00 0.00 H new ATOM 0 HB3 SER A 95 -10.951 -3.742 24.120 1.00 0.00 H new ATOM 0 HG SER A 95 -11.158 -4.553 21.957 1.00 0.00 H new ATOM 1501 N SER A 96 -10.221 -1.034 25.622 1.00 0.00 N ATOM 1502 CA SER A 96 -10.140 -0.697 27.038 1.00 0.00 C ATOM 1503 C SER A 96 -11.526 -0.407 27.608 1.00 0.00 C ATOM 1504 O SER A 96 -12.360 0.215 26.953 1.00 0.00 O ATOM 1505 CB SER A 96 -9.228 0.514 27.245 1.00 0.00 C ATOM 1506 OG SER A 96 -9.182 0.891 28.610 1.00 0.00 O ATOM 0 H SER A 96 -10.958 -0.545 25.113 1.00 0.00 H new ATOM 0 HA SER A 96 -9.721 -1.553 27.566 1.00 0.00 H new ATOM 0 HB2 SER A 96 -8.223 0.280 26.895 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.587 1.350 26.645 1.00 0.00 H new ATOM 0 HG SER A 96 -8.591 1.666 28.716 1.00 0.00 H new ATOM 1512 N GLY A 97 -11.763 -0.865 28.833 1.00 0.00 N ATOM 1513 CA GLY A 97 -13.047 -0.646 29.471 1.00 0.00 C ATOM 1514 C GLY A 97 -13.130 0.701 30.163 1.00 0.00 C ATOM 1515 O GLY A 97 -12.116 1.242 30.605 1.00 0.00 O ATOM 0 H GLY A 97 -11.088 -1.384 29.395 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -13.837 -0.716 28.723 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -13.227 -1.437 30.199 1.00 0.00 H new TER 1519 GLY A 97