USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 817 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 47 TYR OH : rot 180:sc= 0.778 USER MOD Set 1.2: A 101 TYR OH : rot -139:sc= 1.42 USER MOD Set 2.1: A 1 MET N :NH3+ 167:sc= 1.4 (180deg=0.474) USER MOD Set 2.2: A 13 THR OG1 : rot 90:sc= 0.477 USER MOD Set 2.3: A 16 GLN : amide:sc= -4.55! C(o=-2.7!,f=-10!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0.496 K(o=0.5,f=-3!) USER MOD Single : A 4 HIS : no HE2:sc= 0.15 K(o=0.15,f=-0.58) USER MOD Single : A 5 HIS : no HE2:sc= 1.1 K(o=1.1,f=-4.9!) USER MOD Single : A 6 HIS : no HD1:sc= -0.929 K(o=-0.93,f=-1.6!) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc=-0.00362 X(o=-0.0036,f=-0.2) USER MOD Single : A 18 SER OG : rot 180:sc= 0.00791 USER MOD Single : A 19 GLN : amide:sc= -0.0635 X(o=-0.064,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.81 K(o=-0.81,f=-9.1!) USER MOD Single : A 23 THR OG1 : rot -26:sc= 0.706 USER MOD Single : A 26 SER OG : rot -30:sc= 1.13 USER MOD Single : A 27 LYS NZ :NH3+ -115:sc= 1.27 (180deg=-1.87) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -178:sc= -0.0247 (180deg=-0.0895) USER MOD Single : A 41 THR OG1 : rot 113:sc= 2.27 USER MOD Single : A 42 THR OG1 : rot -86:sc= 0.731 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -36:sc= 0.223 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -25:sc= 0.138 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 151:sc= 1.24 (180deg=1.1) USER MOD Single : A 62 SER OG : rot 170:sc= 0.178 USER MOD Single : A 67 LYS NZ :NH3+ -165:sc= 2.41 (180deg=2.22) USER MOD Single : A 68 MET CE :methyl 160:sc= -0.116 (180deg=-0.616) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -1.25! C(o=-1.3!,f=-4.8!) USER MOD Single : A 76 SER OG : rot 180:sc= -0.792 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc=-0.00906 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -1.51 X(o=-1.5,f=-1.2) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 92:sc= 0.623 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 170:sc=-0.00867 (180deg=-0.127) USER MOD Single : A 109 SER OG : rot 39:sc= 0.934 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.249 -9.088 -2.646 1.00 0.00 N ATOM 2 CA MET A 1 -14.640 -8.770 -1.282 1.00 0.00 C ATOM 3 C MET A 1 -14.059 -7.424 -0.878 1.00 0.00 C ATOM 4 O MET A 1 -12.840 -7.291 -0.671 1.00 0.00 O ATOM 5 CB MET A 1 -14.158 -9.849 -0.290 1.00 0.00 C ATOM 6 CG MET A 1 -14.678 -11.268 -0.533 1.00 0.00 C ATOM 7 SD MET A 1 -14.102 -11.992 -2.087 1.00 0.00 S ATOM 8 CE MET A 1 -14.832 -13.628 -1.980 1.00 0.00 C ATOM 0 H1 MET A 1 -14.456 -10.088 -2.842 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.781 -8.488 -3.308 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.230 -8.915 -2.764 1.00 0.00 H new ATOM 0 HA MET A 1 -15.729 -8.733 -1.249 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.069 -9.874 -0.313 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.448 -9.545 0.716 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.367 -11.907 0.293 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.768 -11.252 -0.531 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.569 -14.203 -2.868 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.455 -14.137 -1.093 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.916 -13.539 -1.914 1.00 0.00 H new ATOM 20 N GLY A 2 -14.909 -6.437 -0.799 1.00 0.00 N ATOM 21 CA GLY A 2 -14.520 -5.124 -0.376 1.00 0.00 C ATOM 22 C GLY A 2 -15.606 -4.547 0.473 1.00 0.00 C ATOM 23 O GLY A 2 -16.707 -4.317 -0.010 1.00 0.00 O ATOM 0 H GLY A 2 -15.899 -6.524 -1.029 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -13.587 -5.170 0.185 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -14.340 -4.487 -1.242 1.00 0.00 H new ATOM 27 N HIS A 3 -15.319 -4.333 1.733 1.00 0.00 N ATOM 28 CA HIS A 3 -16.324 -3.878 2.685 1.00 0.00 C ATOM 29 C HIS A 3 -15.614 -3.285 3.873 1.00 0.00 C ATOM 30 O HIS A 3 -14.486 -3.660 4.144 1.00 0.00 O ATOM 31 CB HIS A 3 -17.191 -5.083 3.168 1.00 0.00 C ATOM 32 CG HIS A 3 -16.431 -6.129 3.975 1.00 0.00 C ATOM 33 ND1 HIS A 3 -16.662 -6.362 5.312 1.00 0.00 N ATOM 34 CD2 HIS A 3 -15.441 -6.989 3.619 1.00 0.00 C ATOM 35 CE1 HIS A 3 -15.853 -7.306 5.739 1.00 0.00 C ATOM 36 NE2 HIS A 3 -15.101 -7.703 4.734 1.00 0.00 N ATOM 0 H HIS A 3 -14.391 -4.466 2.134 1.00 0.00 H new ATOM 0 HA HIS A 3 -16.971 -3.141 2.210 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -18.013 -4.702 3.774 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -17.634 -5.567 2.298 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -15.004 -7.090 2.637 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -15.812 -7.692 6.747 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -14.382 -8.425 4.780 1.00 0.00 H new ATOM 45 N HIS A 4 -16.236 -2.384 4.592 1.00 0.00 N ATOM 46 CA HIS A 4 -15.571 -1.890 5.785 1.00 0.00 C ATOM 47 C HIS A 4 -15.564 -3.015 6.821 1.00 0.00 C ATOM 48 O HIS A 4 -16.541 -3.749 6.930 1.00 0.00 O ATOM 49 CB HIS A 4 -16.159 -0.559 6.342 1.00 0.00 C ATOM 50 CG HIS A 4 -17.527 -0.636 6.968 1.00 0.00 C ATOM 51 ND1 HIS A 4 -17.763 -0.279 8.272 1.00 0.00 N ATOM 52 CD2 HIS A 4 -18.720 -0.991 6.460 1.00 0.00 C ATOM 53 CE1 HIS A 4 -19.042 -0.421 8.541 1.00 0.00 C ATOM 54 NE2 HIS A 4 -19.648 -0.851 7.454 1.00 0.00 N ATOM 0 H HIS A 4 -17.155 -1.990 4.393 1.00 0.00 H new ATOM 0 HA HIS A 4 -14.549 -1.617 5.522 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -15.466 -0.165 7.085 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -16.197 0.164 5.527 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -17.055 0.046 8.931 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -18.910 -1.326 5.451 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -19.515 -0.219 9.491 1.00 0.00 H new ATOM 63 N HIS A 5 -14.462 -3.184 7.539 1.00 0.00 N ATOM 64 CA HIS A 5 -14.350 -4.318 8.468 1.00 0.00 C ATOM 65 C HIS A 5 -15.265 -4.078 9.664 1.00 0.00 C ATOM 66 O HIS A 5 -15.946 -4.974 10.134 1.00 0.00 O ATOM 67 CB HIS A 5 -12.881 -4.522 8.906 1.00 0.00 C ATOM 68 CG HIS A 5 -12.624 -5.784 9.704 1.00 0.00 C ATOM 69 ND1 HIS A 5 -11.971 -6.888 9.187 1.00 0.00 N ATOM 70 CD2 HIS A 5 -12.900 -6.092 10.991 1.00 0.00 C ATOM 71 CE1 HIS A 5 -11.863 -7.802 10.124 1.00 0.00 C ATOM 72 NE2 HIS A 5 -12.417 -7.344 11.222 1.00 0.00 N ATOM 0 H HIS A 5 -13.647 -2.571 7.504 1.00 0.00 H new ATOM 0 HA HIS A 5 -14.665 -5.234 7.967 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -12.251 -4.537 8.017 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -12.572 -3.663 9.502 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -11.628 -6.978 8.231 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -13.410 -5.461 11.704 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -11.396 -8.769 10.010 1.00 0.00 H new ATOM 81 N HIS A 6 -15.262 -2.854 10.120 1.00 0.00 N ATOM 82 CA HIS A 6 -16.113 -2.372 11.190 1.00 0.00 C ATOM 83 C HIS A 6 -15.922 -0.880 11.195 1.00 0.00 C ATOM 84 O HIS A 6 -15.344 -0.368 10.234 1.00 0.00 O ATOM 85 CB HIS A 6 -15.763 -3.013 12.576 1.00 0.00 C ATOM 86 CG HIS A 6 -14.432 -2.646 13.186 1.00 0.00 C ATOM 87 ND1 HIS A 6 -14.320 -2.038 14.416 1.00 0.00 N ATOM 88 CD2 HIS A 6 -13.167 -2.853 12.762 1.00 0.00 C ATOM 89 CE1 HIS A 6 -13.056 -1.887 14.717 1.00 0.00 C ATOM 90 NE2 HIS A 6 -12.331 -2.373 13.734 1.00 0.00 N ATOM 0 H HIS A 6 -14.645 -2.133 9.746 1.00 0.00 H new ATOM 0 HA HIS A 6 -17.154 -2.650 11.024 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -16.546 -2.739 13.283 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -15.798 -4.097 12.466 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -12.870 -3.311 11.830 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -12.672 -1.438 15.621 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -11.312 -2.390 13.701 1.00 0.00 H new ATOM 99 N HIS A 7 -16.387 -0.167 12.203 1.00 0.00 N ATOM 100 CA HIS A 7 -16.124 1.276 12.258 1.00 0.00 C ATOM 101 C HIS A 7 -14.691 1.572 12.667 1.00 0.00 C ATOM 102 O HIS A 7 -14.415 1.944 13.814 1.00 0.00 O ATOM 103 CB HIS A 7 -17.129 2.078 13.103 1.00 0.00 C ATOM 104 CG HIS A 7 -18.508 2.138 12.529 1.00 0.00 C ATOM 105 ND1 HIS A 7 -18.909 3.116 11.649 1.00 0.00 N ATOM 106 CD2 HIS A 7 -19.583 1.345 12.715 1.00 0.00 C ATOM 107 CE1 HIS A 7 -20.169 2.923 11.322 1.00 0.00 C ATOM 108 NE2 HIS A 7 -20.602 1.855 11.954 1.00 0.00 N ATOM 0 H HIS A 7 -16.934 -0.540 12.979 1.00 0.00 H new ATOM 0 HA HIS A 7 -16.269 1.626 11.236 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -17.182 1.637 14.098 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -16.754 3.094 13.224 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -19.632 0.470 13.347 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -20.749 3.537 10.649 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -21.544 1.469 11.889 1.00 0.00 H new ATOM 117 N HIS A 8 -13.796 1.287 11.727 1.00 0.00 N ATOM 118 CA HIS A 8 -12.358 1.504 11.797 1.00 0.00 C ATOM 119 C HIS A 8 -11.724 0.693 10.688 1.00 0.00 C ATOM 120 O HIS A 8 -11.721 -0.536 10.753 1.00 0.00 O ATOM 121 CB HIS A 8 -11.746 1.070 13.147 1.00 0.00 C ATOM 122 CG HIS A 8 -10.276 1.376 13.297 1.00 0.00 C ATOM 123 ND1 HIS A 8 -9.299 0.409 13.311 1.00 0.00 N ATOM 124 CD2 HIS A 8 -9.632 2.553 13.487 1.00 0.00 C ATOM 125 CE1 HIS A 8 -8.125 0.970 13.505 1.00 0.00 C ATOM 126 NE2 HIS A 8 -8.297 2.270 13.613 1.00 0.00 N ATOM 0 H HIS A 8 -14.076 0.871 10.839 1.00 0.00 H new ATOM 0 HA HIS A 8 -12.167 2.572 11.694 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -12.290 1.562 13.953 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -11.895 -0.003 13.271 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -10.086 3.532 13.531 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -7.180 0.451 13.565 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -7.557 2.955 13.766 1.00 0.00 H new ATOM 135 N LEU A 9 -11.246 1.389 9.672 1.00 0.00 N ATOM 136 CA LEU A 9 -10.543 0.810 8.515 1.00 0.00 C ATOM 137 C LEU A 9 -11.451 -0.037 7.607 1.00 0.00 C ATOM 138 O LEU A 9 -11.972 -1.105 7.994 1.00 0.00 O ATOM 139 CB LEU A 9 -9.293 0.002 8.924 1.00 0.00 C ATOM 140 CG LEU A 9 -8.237 0.733 9.773 1.00 0.00 C ATOM 141 CD1 LEU A 9 -7.068 -0.185 10.064 1.00 0.00 C ATOM 142 CD2 LEU A 9 -7.754 2.002 9.088 1.00 0.00 C ATOM 0 H LEU A 9 -11.333 2.404 9.617 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.217 1.671 7.932 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.624 -0.877 9.477 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.809 -0.357 8.016 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.706 1.020 10.714 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.330 0.346 10.665 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.420 -1.060 10.611 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.612 -0.502 9.126 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.009 2.493 9.715 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.309 1.749 8.126 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.597 2.675 8.932 1.00 0.00 H new ATOM 154 N GLU A 10 -11.653 0.450 6.417 1.00 0.00 N ATOM 155 CA GLU A 10 -12.369 -0.264 5.412 1.00 0.00 C ATOM 156 C GLU A 10 -11.506 -1.375 4.803 1.00 0.00 C ATOM 157 O GLU A 10 -10.447 -1.128 4.241 1.00 0.00 O ATOM 158 CB GLU A 10 -13.015 0.661 4.335 1.00 0.00 C ATOM 159 CG GLU A 10 -12.141 1.816 3.811 1.00 0.00 C ATOM 160 CD GLU A 10 -12.111 3.024 4.752 1.00 0.00 C ATOM 161 OE1 GLU A 10 -11.453 2.972 5.810 1.00 0.00 O ATOM 162 OE2 GLU A 10 -12.793 4.029 4.457 1.00 0.00 O ATOM 0 H GLU A 10 -11.319 1.366 6.118 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.213 -0.743 5.908 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.310 0.043 3.487 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.928 1.086 4.752 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.124 1.454 3.662 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.513 2.132 2.836 1.00 0.00 H new ATOM 169 N GLU A 11 -11.970 -2.591 4.927 1.00 0.00 N ATOM 170 CA GLU A 11 -11.241 -3.744 4.498 1.00 0.00 C ATOM 171 C GLU A 11 -11.333 -3.996 2.996 1.00 0.00 C ATOM 172 O GLU A 11 -12.413 -4.021 2.392 1.00 0.00 O ATOM 173 CB GLU A 11 -11.694 -4.963 5.275 1.00 0.00 C ATOM 174 CG GLU A 11 -11.177 -6.265 4.739 1.00 0.00 C ATOM 175 CD GLU A 11 -11.647 -7.426 5.567 1.00 0.00 C ATOM 176 OE1 GLU A 11 -11.204 -7.568 6.729 1.00 0.00 O ATOM 177 OE2 GLU A 11 -12.506 -8.195 5.081 1.00 0.00 O ATOM 0 H GLU A 11 -12.879 -2.806 5.336 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.189 -3.546 4.706 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.374 -4.858 6.312 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.784 -4.992 5.279 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.509 -6.393 3.709 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.087 -6.246 4.722 1.00 0.00 H new ATOM 184 N PHE A 12 -10.209 -4.172 2.445 1.00 0.00 N ATOM 185 CA PHE A 12 -9.998 -4.507 1.097 1.00 0.00 C ATOM 186 C PHE A 12 -9.280 -5.807 1.050 1.00 0.00 C ATOM 187 O PHE A 12 -8.592 -6.149 1.989 1.00 0.00 O ATOM 188 CB PHE A 12 -9.074 -3.503 0.474 1.00 0.00 C ATOM 189 CG PHE A 12 -9.644 -2.150 0.166 1.00 0.00 C ATOM 190 CD1 PHE A 12 -10.360 -1.941 -1.001 1.00 0.00 C ATOM 191 CD2 PHE A 12 -9.450 -1.075 1.030 1.00 0.00 C ATOM 192 CE1 PHE A 12 -10.875 -0.697 -1.301 1.00 0.00 C ATOM 193 CE2 PHE A 12 -9.964 0.168 0.733 1.00 0.00 C ATOM 194 CZ PHE A 12 -10.678 0.359 -0.435 1.00 0.00 C ATOM 0 H PHE A 12 -9.336 -4.079 2.964 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.957 -4.540 0.579 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.222 -3.368 1.141 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -8.689 -3.927 -0.453 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -10.517 -2.762 -1.685 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.891 -1.218 1.943 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.433 -0.550 -2.214 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.809 0.993 1.413 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.081 1.333 -0.669 1.00 0.00 H new ATOM 204 N THR A 13 -9.410 -6.530 -0.014 1.00 0.00 N ATOM 205 CA THR A 13 -8.628 -7.695 -0.148 1.00 0.00 C ATOM 206 C THR A 13 -7.582 -7.404 -1.236 1.00 0.00 C ATOM 207 O THR A 13 -7.849 -6.609 -2.125 1.00 0.00 O ATOM 208 CB THR A 13 -9.496 -8.888 -0.480 1.00 0.00 C ATOM 209 OG1 THR A 13 -10.602 -8.939 0.453 1.00 0.00 O ATOM 210 CG2 THR A 13 -8.698 -10.145 -0.351 1.00 0.00 C ATOM 0 H THR A 13 -10.043 -6.331 -0.788 1.00 0.00 H new ATOM 0 HA THR A 13 -8.125 -7.949 0.785 1.00 0.00 H new ATOM 0 HB THR A 13 -9.866 -8.794 -1.501 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.353 -8.418 0.099 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.327 -11.002 -0.591 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.853 -10.112 -1.039 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.331 -10.240 0.671 1.00 0.00 H new ATOM 218 N ALA A 14 -6.427 -8.033 -1.172 1.00 0.00 N ATOM 219 CA ALA A 14 -5.291 -7.655 -2.021 1.00 0.00 C ATOM 220 C ALA A 14 -5.531 -7.864 -3.509 1.00 0.00 C ATOM 221 O ALA A 14 -5.108 -7.034 -4.329 1.00 0.00 O ATOM 222 CB ALA A 14 -4.012 -8.310 -1.558 1.00 0.00 C ATOM 0 H ALA A 14 -6.239 -8.813 -0.542 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.181 -6.577 -1.900 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.192 -8.008 -2.209 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.795 -8.002 -0.535 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.124 -9.394 -1.595 1.00 0.00 H new ATOM 228 N GLU A 15 -6.211 -8.949 -3.869 1.00 0.00 N ATOM 229 CA GLU A 15 -6.549 -9.177 -5.274 1.00 0.00 C ATOM 230 C GLU A 15 -7.557 -8.132 -5.735 1.00 0.00 C ATOM 231 O GLU A 15 -7.601 -7.761 -6.895 1.00 0.00 O ATOM 232 CB GLU A 15 -7.112 -10.577 -5.511 1.00 0.00 C ATOM 233 CG GLU A 15 -6.195 -11.700 -5.088 1.00 0.00 C ATOM 234 CD GLU A 15 -6.744 -13.054 -5.455 1.00 0.00 C ATOM 235 OE1 GLU A 15 -7.759 -13.476 -4.872 1.00 0.00 O ATOM 236 OE2 GLU A 15 -6.176 -13.709 -6.346 1.00 0.00 O ATOM 0 H GLU A 15 -6.534 -9.671 -3.225 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.629 -9.091 -5.852 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.055 -10.672 -4.972 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.338 -10.689 -6.571 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.220 -11.566 -5.557 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.040 -11.653 -4.010 1.00 0.00 H new ATOM 243 N GLN A 16 -8.382 -7.679 -4.816 1.00 0.00 N ATOM 244 CA GLN A 16 -9.345 -6.656 -5.123 1.00 0.00 C ATOM 245 C GLN A 16 -8.707 -5.282 -5.193 1.00 0.00 C ATOM 246 O GLN A 16 -9.062 -4.472 -6.044 1.00 0.00 O ATOM 247 CB GLN A 16 -10.562 -6.657 -4.179 1.00 0.00 C ATOM 248 CG GLN A 16 -11.458 -7.870 -4.327 1.00 0.00 C ATOM 249 CD GLN A 16 -11.053 -9.073 -3.513 1.00 0.00 C ATOM 250 OE1 GLN A 16 -11.527 -9.241 -2.416 1.00 0.00 O ATOM 251 NE2 GLN A 16 -10.169 -9.880 -4.008 1.00 0.00 N ATOM 0 H GLN A 16 -8.401 -8.007 -3.850 1.00 0.00 H new ATOM 0 HA GLN A 16 -9.726 -6.902 -6.114 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -10.210 -6.602 -3.149 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.151 -5.759 -4.362 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.473 -7.588 -4.048 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -11.485 -8.156 -5.379 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.788 -9.710 -4.939 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.854 -10.685 -3.467 1.00 0.00 H new ATOM 260 N LEU A 17 -7.747 -5.047 -4.323 1.00 0.00 N ATOM 261 CA LEU A 17 -7.084 -3.761 -4.202 1.00 0.00 C ATOM 262 C LEU A 17 -6.332 -3.379 -5.467 1.00 0.00 C ATOM 263 O LEU A 17 -6.251 -2.205 -5.806 1.00 0.00 O ATOM 264 CB LEU A 17 -6.091 -3.777 -3.059 1.00 0.00 C ATOM 265 CG LEU A 17 -5.461 -2.423 -2.743 1.00 0.00 C ATOM 266 CD1 LEU A 17 -6.493 -1.458 -2.198 1.00 0.00 C ATOM 267 CD2 LEU A 17 -4.310 -2.564 -1.801 1.00 0.00 C ATOM 0 H LEU A 17 -7.400 -5.751 -3.671 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.871 -3.029 -4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.593 -4.147 -2.165 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.297 -4.486 -3.295 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.075 -2.013 -3.676 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.018 -0.501 -1.981 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.281 -1.313 -2.937 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.924 -1.865 -1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.884 -1.582 -1.597 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.656 -3.011 -0.869 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.549 -3.203 -2.249 1.00 0.00 H new ATOM 279 N SER A 18 -5.826 -4.373 -6.182 1.00 0.00 N ATOM 280 CA SER A 18 -4.983 -4.155 -7.355 1.00 0.00 C ATOM 281 C SER A 18 -5.724 -3.534 -8.554 1.00 0.00 C ATOM 282 O SER A 18 -5.172 -3.402 -9.649 1.00 0.00 O ATOM 283 CB SER A 18 -4.289 -5.453 -7.712 1.00 0.00 C ATOM 284 OG SER A 18 -5.223 -6.502 -7.830 1.00 0.00 O ATOM 0 H SER A 18 -5.987 -5.357 -5.967 1.00 0.00 H new ATOM 0 HA SER A 18 -4.237 -3.405 -7.092 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.747 -5.335 -8.650 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.553 -5.700 -6.947 1.00 0.00 H new ATOM 0 HG SER A 18 -4.756 -7.331 -8.062 1.00 0.00 H new ATOM 290 N GLN A 19 -6.942 -3.133 -8.323 1.00 0.00 N ATOM 291 CA GLN A 19 -7.763 -2.494 -9.325 1.00 0.00 C ATOM 292 C GLN A 19 -7.854 -1.008 -9.007 1.00 0.00 C ATOM 293 O GLN A 19 -8.218 -0.189 -9.843 1.00 0.00 O ATOM 294 CB GLN A 19 -9.140 -3.125 -9.299 1.00 0.00 C ATOM 295 CG GLN A 19 -9.103 -4.618 -9.548 1.00 0.00 C ATOM 296 CD GLN A 19 -10.433 -5.270 -9.339 1.00 0.00 C ATOM 297 OE1 GLN A 19 -11.235 -5.397 -10.252 1.00 0.00 O ATOM 298 NE2 GLN A 19 -10.688 -5.661 -8.127 1.00 0.00 N ATOM 0 H GLN A 19 -7.404 -3.240 -7.420 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.331 -2.620 -10.318 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.605 -2.933 -8.332 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.767 -2.650 -10.054 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.768 -4.804 -10.568 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.370 -5.075 -8.883 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.990 -5.536 -7.393 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -11.586 -6.093 -7.909 1.00 0.00 H new ATOM 307 N TYR A 20 -7.476 -0.676 -7.797 1.00 0.00 N ATOM 308 CA TYR A 20 -7.517 0.678 -7.274 1.00 0.00 C ATOM 309 C TYR A 20 -6.184 1.368 -7.510 1.00 0.00 C ATOM 310 O TYR A 20 -5.702 2.140 -6.686 1.00 0.00 O ATOM 311 CB TYR A 20 -7.863 0.622 -5.778 1.00 0.00 C ATOM 312 CG TYR A 20 -9.267 0.112 -5.513 1.00 0.00 C ATOM 313 CD1 TYR A 20 -10.351 0.980 -5.499 1.00 0.00 C ATOM 314 CD2 TYR A 20 -9.508 -1.232 -5.291 1.00 0.00 C ATOM 315 CE1 TYR A 20 -11.634 0.518 -5.270 1.00 0.00 C ATOM 316 CE2 TYR A 20 -10.783 -1.706 -5.059 1.00 0.00 C ATOM 317 CZ TYR A 20 -11.845 -0.832 -5.047 1.00 0.00 C ATOM 318 OH TYR A 20 -13.126 -1.311 -4.820 1.00 0.00 O ATOM 0 H TYR A 20 -7.120 -1.356 -7.125 1.00 0.00 H new ATOM 0 HA TYR A 20 -8.283 1.257 -7.790 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -7.146 -0.022 -5.269 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -7.757 1.618 -5.349 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -10.189 2.034 -5.670 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -8.680 -1.925 -5.299 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -12.466 1.206 -5.265 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -10.946 -2.760 -4.887 1.00 0.00 H new ATOM 0 HH TYR A 20 -13.093 -2.281 -4.684 1.00 0.00 H new ATOM 328 N ASN A 21 -5.617 1.105 -8.672 1.00 0.00 N ATOM 329 CA ASN A 21 -4.340 1.681 -9.069 1.00 0.00 C ATOM 330 C ASN A 21 -4.493 3.121 -9.554 1.00 0.00 C ATOM 331 O ASN A 21 -3.518 3.847 -9.701 1.00 0.00 O ATOM 332 CB ASN A 21 -3.632 0.811 -10.120 1.00 0.00 C ATOM 333 CG ASN A 21 -4.451 0.556 -11.388 1.00 0.00 C ATOM 334 OD1 ASN A 21 -5.309 1.362 -11.787 1.00 0.00 O ATOM 335 ND2 ASN A 21 -4.187 -0.552 -12.030 1.00 0.00 N ATOM 0 H ASN A 21 -6.027 0.485 -9.371 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.710 1.704 -8.180 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.694 1.291 -10.399 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.377 -0.148 -9.668 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.692 -0.777 -12.887 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.476 -1.191 -11.674 1.00 0.00 H new ATOM 342 N GLY A 22 -5.718 3.511 -9.830 1.00 0.00 N ATOM 343 CA GLY A 22 -5.985 4.877 -10.199 1.00 0.00 C ATOM 344 C GLY A 22 -5.919 5.162 -11.665 1.00 0.00 C ATOM 345 O GLY A 22 -6.311 6.243 -12.101 1.00 0.00 O ATOM 0 H GLY A 22 -6.537 2.904 -9.805 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.976 5.148 -9.836 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.271 5.522 -9.687 1.00 0.00 H new ATOM 349 N THR A 23 -5.442 4.239 -12.445 1.00 0.00 N ATOM 350 CA THR A 23 -5.354 4.509 -13.842 1.00 0.00 C ATOM 351 C THR A 23 -6.538 3.951 -14.570 1.00 0.00 C ATOM 352 O THR A 23 -6.715 4.199 -15.765 1.00 0.00 O ATOM 353 CB THR A 23 -4.039 4.030 -14.483 1.00 0.00 C ATOM 354 OG1 THR A 23 -3.981 4.475 -15.855 1.00 0.00 O ATOM 355 CG2 THR A 23 -3.909 2.513 -14.439 1.00 0.00 C ATOM 0 H THR A 23 -5.117 3.319 -12.147 1.00 0.00 H new ATOM 0 HA THR A 23 -5.356 5.595 -13.938 1.00 0.00 H new ATOM 0 HB THR A 23 -3.214 4.456 -13.911 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.891 4.602 -16.196 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.968 2.215 -14.901 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.927 2.176 -13.403 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.739 2.061 -14.982 1.00 0.00 H new ATOM 363 N ASP A 24 -7.360 3.205 -13.873 1.00 0.00 N ATOM 364 CA ASP A 24 -8.542 2.704 -14.502 1.00 0.00 C ATOM 365 C ASP A 24 -9.589 3.767 -14.494 1.00 0.00 C ATOM 366 O ASP A 24 -10.387 3.848 -13.549 1.00 0.00 O ATOM 367 CB ASP A 24 -9.088 1.445 -13.860 1.00 0.00 C ATOM 368 CG ASP A 24 -10.296 0.901 -14.604 1.00 0.00 C ATOM 369 OD1 ASP A 24 -10.158 0.501 -15.776 1.00 0.00 O ATOM 370 OD2 ASP A 24 -11.386 0.838 -14.009 1.00 0.00 O ATOM 0 H ASP A 24 -7.233 2.940 -12.896 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.266 2.432 -15.521 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.307 0.685 -13.833 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.364 1.656 -12.827 1.00 0.00 H new ATOM 375 N GLU A 25 -9.507 4.640 -15.492 1.00 0.00 N ATOM 376 CA GLU A 25 -10.391 5.740 -15.724 1.00 0.00 C ATOM 377 C GLU A 25 -10.244 6.791 -14.664 1.00 0.00 C ATOM 378 O GLU A 25 -9.688 7.867 -14.903 1.00 0.00 O ATOM 379 CB GLU A 25 -11.842 5.291 -15.827 1.00 0.00 C ATOM 380 CG GLU A 25 -12.117 4.305 -16.931 1.00 0.00 C ATOM 381 CD GLU A 25 -13.561 3.948 -16.989 1.00 0.00 C ATOM 382 OE1 GLU A 25 -14.325 4.672 -17.647 1.00 0.00 O ATOM 383 OE2 GLU A 25 -13.968 2.946 -16.351 1.00 0.00 O ATOM 0 H GLU A 25 -8.771 4.581 -16.195 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.107 6.175 -16.683 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.139 4.845 -14.878 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.470 6.169 -15.977 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.806 4.729 -17.886 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.523 3.404 -16.774 1.00 0.00 H new ATOM 390 N SER A 26 -10.674 6.448 -13.494 1.00 0.00 N ATOM 391 CA SER A 26 -10.803 7.355 -12.438 1.00 0.00 C ATOM 392 C SER A 26 -11.085 6.621 -11.107 1.00 0.00 C ATOM 393 O SER A 26 -11.576 7.232 -10.157 1.00 0.00 O ATOM 394 CB SER A 26 -11.966 8.268 -12.839 1.00 0.00 C ATOM 395 OG SER A 26 -12.422 9.121 -11.802 1.00 0.00 O ATOM 0 H SER A 26 -10.950 5.495 -13.255 1.00 0.00 H new ATOM 0 HA SER A 26 -9.888 7.923 -12.270 1.00 0.00 H new ATOM 0 HB2 SER A 26 -11.657 8.879 -13.687 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.798 7.650 -13.178 1.00 0.00 H new ATOM 0 HG SER A 26 -12.284 8.685 -10.935 1.00 0.00 H new ATOM 401 N LYS A 27 -10.765 5.316 -11.022 1.00 0.00 N ATOM 402 CA LYS A 27 -11.021 4.591 -9.768 1.00 0.00 C ATOM 403 C LYS A 27 -10.128 5.122 -8.634 1.00 0.00 C ATOM 404 O LYS A 27 -9.014 5.600 -8.897 1.00 0.00 O ATOM 405 CB LYS A 27 -10.874 3.040 -9.882 1.00 0.00 C ATOM 406 CG LYS A 27 -11.782 2.375 -10.918 1.00 0.00 C ATOM 407 CD LYS A 27 -12.264 0.999 -10.436 1.00 0.00 C ATOM 408 CE LYS A 27 -11.162 -0.042 -10.408 1.00 0.00 C ATOM 409 NZ LYS A 27 -10.811 -0.517 -11.758 1.00 0.00 N ATOM 0 H LYS A 27 -10.347 4.764 -11.771 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.069 4.782 -9.536 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.838 2.806 -10.127 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.078 2.599 -8.906 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.642 3.015 -11.116 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.244 2.265 -11.859 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.687 1.099 -9.436 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.066 0.653 -11.088 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.277 0.381 -9.932 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.479 -0.888 -9.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.053 -1.525 -11.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.341 0.029 -12.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.791 -0.391 -11.916 1.00 0.00 H new ATOM 423 N PRO A 28 -10.631 5.086 -7.368 1.00 0.00 N ATOM 424 CA PRO A 28 -9.863 5.505 -6.172 1.00 0.00 C ATOM 425 C PRO A 28 -8.521 4.781 -6.076 1.00 0.00 C ATOM 426 O PRO A 28 -8.388 3.647 -6.540 1.00 0.00 O ATOM 427 CB PRO A 28 -10.773 5.099 -5.014 1.00 0.00 C ATOM 428 CG PRO A 28 -12.138 5.150 -5.591 1.00 0.00 C ATOM 429 CD PRO A 28 -11.997 4.651 -6.994 1.00 0.00 C ATOM 0 HA PRO A 28 -9.618 6.567 -6.186 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.532 4.101 -4.649 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.672 5.781 -4.170 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.829 4.529 -5.021 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -12.534 6.165 -5.573 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.105 3.568 -7.050 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.752 5.081 -7.653 1.00 0.00 H new ATOM 437 N ILE A 29 -7.544 5.428 -5.480 1.00 0.00 N ATOM 438 CA ILE A 29 -6.197 4.902 -5.427 1.00 0.00 C ATOM 439 C ILE A 29 -5.811 4.693 -3.969 1.00 0.00 C ATOM 440 O ILE A 29 -6.046 5.573 -3.125 1.00 0.00 O ATOM 441 CB ILE A 29 -5.196 5.895 -6.047 1.00 0.00 C ATOM 442 CG1 ILE A 29 -5.781 6.504 -7.309 1.00 0.00 C ATOM 443 CG2 ILE A 29 -3.912 5.159 -6.400 1.00 0.00 C ATOM 444 CD1 ILE A 29 -4.869 7.489 -7.988 1.00 0.00 C ATOM 0 H ILE A 29 -7.660 6.331 -5.020 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.167 3.966 -5.984 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.988 6.687 -5.328 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.022 5.704 -8.009 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.718 7.003 -7.060 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.201 5.858 -6.839 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.483 4.723 -5.498 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.132 4.367 -7.116 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.356 7.880 -8.881 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.648 8.310 -7.306 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.941 6.991 -8.270 1.00 0.00 H new ATOM 456 N TYR A 30 -5.189 3.575 -3.663 1.00 0.00 N ATOM 457 CA TYR A 30 -4.882 3.241 -2.308 1.00 0.00 C ATOM 458 C TYR A 30 -3.590 2.492 -2.261 1.00 0.00 C ATOM 459 O TYR A 30 -3.274 1.764 -3.180 1.00 0.00 O ATOM 460 CB TYR A 30 -5.985 2.368 -1.703 1.00 0.00 C ATOM 461 CG TYR A 30 -7.338 3.029 -1.566 1.00 0.00 C ATOM 462 CD1 TYR A 30 -7.560 3.994 -0.595 1.00 0.00 C ATOM 463 CD2 TYR A 30 -8.393 2.679 -2.394 1.00 0.00 C ATOM 464 CE1 TYR A 30 -8.790 4.594 -0.456 1.00 0.00 C ATOM 465 CE2 TYR A 30 -9.626 3.275 -2.260 1.00 0.00 C ATOM 466 CZ TYR A 30 -9.819 4.233 -1.291 1.00 0.00 C ATOM 467 OH TYR A 30 -11.047 4.831 -1.154 1.00 0.00 O ATOM 0 H TYR A 30 -4.888 2.882 -4.349 1.00 0.00 H new ATOM 0 HA TYR A 30 -4.804 4.164 -1.733 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.097 1.476 -2.319 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.661 2.036 -0.717 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.753 4.279 0.064 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -8.245 1.928 -3.155 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -8.946 5.344 0.305 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.439 2.992 -2.912 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.665 4.466 -1.821 1.00 0.00 H new ATOM 477 N VAL A 31 -2.848 2.675 -1.216 1.00 0.00 N ATOM 478 CA VAL A 31 -1.609 1.960 -1.040 1.00 0.00 C ATOM 479 C VAL A 31 -1.595 1.307 0.340 1.00 0.00 C ATOM 480 O VAL A 31 -2.029 1.908 1.305 1.00 0.00 O ATOM 481 CB VAL A 31 -0.358 2.871 -1.267 1.00 0.00 C ATOM 482 CG1 VAL A 31 -0.307 4.060 -0.349 1.00 0.00 C ATOM 483 CG2 VAL A 31 0.889 2.076 -1.148 1.00 0.00 C ATOM 0 H VAL A 31 -3.076 3.320 -0.459 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.548 1.182 -1.801 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.448 3.267 -2.279 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.587 4.647 -0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.192 4.677 -0.504 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.279 3.720 0.686 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.750 2.724 -1.309 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.946 1.636 -0.152 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.888 1.283 -1.896 1.00 0.00 H new ATOM 493 N ALA A 32 -1.139 0.080 0.429 1.00 0.00 N ATOM 494 CA ALA A 32 -1.181 -0.627 1.694 1.00 0.00 C ATOM 495 C ALA A 32 0.201 -0.880 2.287 1.00 0.00 C ATOM 496 O ALA A 32 1.077 -1.495 1.650 1.00 0.00 O ATOM 497 CB ALA A 32 -1.958 -1.917 1.560 1.00 0.00 C ATOM 0 H ALA A 32 -0.739 -0.447 -0.347 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.698 0.026 2.397 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.977 -2.432 2.521 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.978 -1.696 1.246 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.480 -2.554 0.816 1.00 0.00 H new ATOM 503 N ILE A 33 0.383 -0.416 3.510 1.00 0.00 N ATOM 504 CA ILE A 33 1.622 -0.586 4.256 1.00 0.00 C ATOM 505 C ILE A 33 1.266 -1.188 5.618 1.00 0.00 C ATOM 506 O ILE A 33 0.519 -0.578 6.380 1.00 0.00 O ATOM 507 CB ILE A 33 2.358 0.774 4.467 1.00 0.00 C ATOM 508 CG1 ILE A 33 2.603 1.472 3.128 1.00 0.00 C ATOM 509 CG2 ILE A 33 3.682 0.572 5.199 1.00 0.00 C ATOM 510 CD1 ILE A 33 3.328 2.796 3.258 1.00 0.00 C ATOM 0 H ILE A 33 -0.334 0.097 4.022 1.00 0.00 H new ATOM 0 HA ILE A 33 2.292 -1.237 3.695 1.00 0.00 H new ATOM 0 HB ILE A 33 1.716 1.406 5.080 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.183 0.811 2.484 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.646 1.638 2.634 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.174 1.535 5.333 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.494 0.122 6.174 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.325 -0.086 4.614 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.467 3.233 2.269 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.739 3.474 3.875 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.300 2.634 3.723 1.00 0.00 H new ATOM 522 N LYS A 34 1.761 -2.413 5.883 1.00 0.00 N ATOM 523 CA LYS A 34 1.476 -3.185 7.137 1.00 0.00 C ATOM 524 C LYS A 34 0.031 -3.660 7.155 1.00 0.00 C ATOM 525 O LYS A 34 -0.466 -4.178 8.152 1.00 0.00 O ATOM 526 CB LYS A 34 1.781 -2.372 8.413 1.00 0.00 C ATOM 527 CG LYS A 34 3.243 -2.038 8.649 1.00 0.00 C ATOM 528 CD LYS A 34 4.080 -3.278 8.900 1.00 0.00 C ATOM 529 CE LYS A 34 5.529 -2.919 9.224 1.00 0.00 C ATOM 530 NZ LYS A 34 5.652 -2.089 10.445 1.00 0.00 N ATOM 0 H LYS A 34 2.375 -2.909 5.237 1.00 0.00 H new ATOM 0 HA LYS A 34 2.142 -4.048 7.134 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.217 -1.440 8.371 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.412 -2.930 9.274 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.637 -1.505 7.784 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.327 -1.366 9.503 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.652 -3.846 9.725 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.051 -3.922 8.021 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.106 -3.835 9.352 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.964 -2.384 8.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.651 -1.846 10.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.097 -1.217 10.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.294 -2.621 11.264 1.00 0.00 H new ATOM 544 N GLY A 35 -0.622 -3.495 6.039 1.00 0.00 N ATOM 545 CA GLY A 35 -1.991 -3.868 5.918 1.00 0.00 C ATOM 546 C GLY A 35 -2.907 -2.676 6.032 1.00 0.00 C ATOM 547 O GLY A 35 -4.082 -2.767 5.719 1.00 0.00 O ATOM 0 H GLY A 35 -0.215 -3.098 5.192 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.151 -4.359 4.958 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.240 -4.594 6.692 1.00 0.00 H new ATOM 551 N ARG A 36 -2.367 -1.559 6.484 1.00 0.00 N ATOM 552 CA ARG A 36 -3.113 -0.340 6.600 1.00 0.00 C ATOM 553 C ARG A 36 -3.173 0.271 5.225 1.00 0.00 C ATOM 554 O ARG A 36 -2.143 0.374 4.547 1.00 0.00 O ATOM 555 CB ARG A 36 -2.376 0.619 7.526 1.00 0.00 C ATOM 556 CG ARG A 36 -2.029 0.034 8.881 1.00 0.00 C ATOM 557 CD ARG A 36 -1.159 0.989 9.682 1.00 0.00 C ATOM 558 NE ARG A 36 0.087 1.318 8.960 1.00 0.00 N ATOM 559 CZ ARG A 36 1.327 1.138 9.442 1.00 0.00 C ATOM 560 NH1 ARG A 36 1.508 0.589 10.630 1.00 0.00 N ATOM 561 NH2 ARG A 36 2.380 1.494 8.723 1.00 0.00 N ATOM 0 H ARG A 36 -1.394 -1.482 6.780 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.109 -0.531 6.999 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.457 0.944 7.037 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.990 1.508 7.673 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.944 -0.180 9.433 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.508 -0.914 8.749 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.715 1.904 9.888 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.916 0.541 10.645 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.002 1.712 8.023 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.703 0.299 11.186 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.452 0.455 10.991 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.251 1.907 7.799 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.320 1.356 9.093 1.00 0.00 H new ATOM 575 N VAL A 37 -4.331 0.639 4.807 1.00 0.00 N ATOM 576 CA VAL A 37 -4.507 1.229 3.509 1.00 0.00 C ATOM 577 C VAL A 37 -4.484 2.746 3.610 1.00 0.00 C ATOM 578 O VAL A 37 -5.135 3.312 4.440 1.00 0.00 O ATOM 579 CB VAL A 37 -5.809 0.729 2.839 1.00 0.00 C ATOM 580 CG1 VAL A 37 -6.031 1.406 1.524 1.00 0.00 C ATOM 581 CG2 VAL A 37 -5.735 -0.765 2.621 1.00 0.00 C ATOM 0 H VAL A 37 -5.190 0.544 5.348 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.676 0.918 2.875 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.641 0.967 3.501 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.953 1.036 1.075 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.109 2.482 1.677 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.193 1.194 0.860 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -6.655 -1.110 2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.887 -0.997 1.976 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.609 -1.267 3.580 1.00 0.00 H new ATOM 591 N PHE A 38 -3.693 3.367 2.787 1.00 0.00 N ATOM 592 CA PHE A 38 -3.539 4.814 2.744 1.00 0.00 C ATOM 593 C PHE A 38 -4.229 5.325 1.494 1.00 0.00 C ATOM 594 O PHE A 38 -4.152 4.670 0.443 1.00 0.00 O ATOM 595 CB PHE A 38 -2.040 5.177 2.625 1.00 0.00 C ATOM 596 CG PHE A 38 -1.125 4.713 3.747 1.00 0.00 C ATOM 597 CD1 PHE A 38 -1.062 3.379 4.123 1.00 0.00 C ATOM 598 CD2 PHE A 38 -0.310 5.613 4.401 1.00 0.00 C ATOM 599 CE1 PHE A 38 -0.218 2.961 5.122 1.00 0.00 C ATOM 600 CE2 PHE A 38 0.536 5.196 5.404 1.00 0.00 C ATOM 601 CZ PHE A 38 0.581 3.868 5.765 1.00 0.00 C ATOM 0 H PHE A 38 -3.115 2.879 2.103 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.962 5.252 3.648 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.665 4.763 1.689 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.959 6.261 2.549 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.688 2.656 3.621 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.336 6.656 4.123 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.184 1.918 5.400 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.166 5.913 5.909 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.244 3.543 6.553 1.00 0.00 H new ATOM 611 N ASP A 39 -4.896 6.463 1.579 1.00 0.00 N ATOM 612 CA ASP A 39 -5.517 7.032 0.382 1.00 0.00 C ATOM 613 C ASP A 39 -4.516 7.826 -0.395 1.00 0.00 C ATOM 614 O ASP A 39 -3.864 8.726 0.143 1.00 0.00 O ATOM 615 CB ASP A 39 -6.733 7.931 0.675 1.00 0.00 C ATOM 616 CG ASP A 39 -7.328 8.523 -0.624 1.00 0.00 C ATOM 617 OD1 ASP A 39 -6.839 9.591 -1.103 1.00 0.00 O ATOM 618 OD2 ASP A 39 -8.268 7.912 -1.196 1.00 0.00 O ATOM 0 H ASP A 39 -5.023 7.003 2.435 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.875 6.178 -0.193 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.497 7.353 1.196 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.436 8.740 1.342 1.00 0.00 H new ATOM 623 N VAL A 40 -4.376 7.485 -1.638 1.00 0.00 N ATOM 624 CA VAL A 40 -3.529 8.220 -2.531 1.00 0.00 C ATOM 625 C VAL A 40 -4.305 8.635 -3.763 1.00 0.00 C ATOM 626 O VAL A 40 -3.725 9.015 -4.780 1.00 0.00 O ATOM 627 CB VAL A 40 -2.214 7.477 -2.907 1.00 0.00 C ATOM 628 CG1 VAL A 40 -1.278 7.409 -1.713 1.00 0.00 C ATOM 629 CG2 VAL A 40 -2.499 6.078 -3.399 1.00 0.00 C ATOM 0 H VAL A 40 -4.846 6.687 -2.065 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.207 9.111 -1.993 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.737 8.041 -3.709 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.365 6.886 -1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.031 8.419 -1.386 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.765 6.873 -0.899 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.561 5.584 -3.654 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.006 5.513 -2.616 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.136 6.126 -4.282 1.00 0.00 H new ATOM 639 N THR A 41 -5.639 8.604 -3.639 1.00 0.00 N ATOM 640 CA THR A 41 -6.534 9.069 -4.688 1.00 0.00 C ATOM 641 C THR A 41 -6.317 10.561 -4.807 1.00 0.00 C ATOM 642 O THR A 41 -6.280 11.140 -5.895 1.00 0.00 O ATOM 643 CB THR A 41 -8.008 8.844 -4.284 1.00 0.00 C ATOM 644 OG1 THR A 41 -8.193 7.491 -3.846 1.00 0.00 O ATOM 645 CG2 THR A 41 -8.931 9.128 -5.465 1.00 0.00 C ATOM 0 H THR A 41 -6.119 8.256 -2.809 1.00 0.00 H new ATOM 0 HA THR A 41 -6.333 8.534 -5.616 1.00 0.00 H new ATOM 0 HB THR A 41 -8.253 9.526 -3.470 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.400 7.483 -2.888 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.966 8.965 -5.165 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.804 10.162 -5.785 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.683 8.460 -6.290 1.00 0.00 H new ATOM 653 N THR A 42 -6.140 11.155 -3.655 1.00 0.00 N ATOM 654 CA THR A 42 -5.850 12.542 -3.498 1.00 0.00 C ATOM 655 C THR A 42 -4.503 12.928 -4.163 1.00 0.00 C ATOM 656 O THR A 42 -4.281 14.088 -4.522 1.00 0.00 O ATOM 657 CB THR A 42 -5.853 12.873 -2.001 1.00 0.00 C ATOM 658 OG1 THR A 42 -5.122 11.843 -1.289 1.00 0.00 O ATOM 659 CG2 THR A 42 -7.276 12.954 -1.465 1.00 0.00 C ATOM 0 H THR A 42 -6.198 10.656 -2.767 1.00 0.00 H new ATOM 0 HA THR A 42 -6.616 13.129 -4.004 1.00 0.00 H new ATOM 0 HB THR A 42 -5.377 13.842 -1.853 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.726 11.101 -1.075 1.00 0.00 H new ATOM 0 HG21 THR A 42 -7.251 13.190 -0.401 1.00 0.00 H new ATOM 0 HG22 THR A 42 -7.821 13.734 -1.997 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.775 11.997 -1.613 1.00 0.00 H new ATOM 667 N GLY A 43 -3.633 11.944 -4.340 1.00 0.00 N ATOM 668 CA GLY A 43 -2.358 12.158 -4.987 1.00 0.00 C ATOM 669 C GLY A 43 -2.282 11.400 -6.301 1.00 0.00 C ATOM 670 O GLY A 43 -1.255 10.794 -6.635 1.00 0.00 O ATOM 0 H GLY A 43 -3.795 10.983 -4.039 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.212 13.223 -5.168 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.553 11.833 -4.328 1.00 0.00 H new ATOM 674 N LYS A 44 -3.370 11.442 -7.056 1.00 0.00 N ATOM 675 CA LYS A 44 -3.497 10.752 -8.313 1.00 0.00 C ATOM 676 C LYS A 44 -2.445 11.176 -9.340 1.00 0.00 C ATOM 677 O LYS A 44 -2.026 10.373 -10.170 1.00 0.00 O ATOM 678 CB LYS A 44 -4.962 10.857 -8.823 1.00 0.00 C ATOM 679 CG LYS A 44 -5.220 10.388 -10.251 1.00 0.00 C ATOM 680 CD LYS A 44 -4.928 11.483 -11.272 1.00 0.00 C ATOM 681 CE LYS A 44 -5.922 12.635 -11.160 1.00 0.00 C ATOM 682 NZ LYS A 44 -5.652 13.722 -12.129 1.00 0.00 N ATOM 0 H LYS A 44 -4.203 11.971 -6.798 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.283 9.695 -8.151 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.599 10.279 -8.154 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.277 11.897 -8.743 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.599 9.518 -10.465 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.258 10.070 -10.347 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.916 11.859 -11.123 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.968 11.064 -12.277 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.931 12.255 -11.319 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.890 13.040 -10.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.357 14.477 -12.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.700 14.107 -11.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.709 13.346 -13.097 1.00 0.00 H new ATOM 696 N SER A 45 -2.003 12.394 -9.271 1.00 0.00 N ATOM 697 CA SER A 45 -0.993 12.870 -10.185 1.00 0.00 C ATOM 698 C SER A 45 0.411 12.330 -9.826 1.00 0.00 C ATOM 699 O SER A 45 1.357 12.507 -10.578 1.00 0.00 O ATOM 700 CB SER A 45 -1.018 14.392 -10.245 1.00 0.00 C ATOM 701 OG SER A 45 -2.302 14.841 -10.686 1.00 0.00 O ATOM 0 H SER A 45 -2.323 13.084 -8.591 1.00 0.00 H new ATOM 0 HA SER A 45 -1.223 12.485 -11.178 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.796 14.807 -9.262 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.245 14.751 -10.924 1.00 0.00 H new ATOM 0 HG SER A 45 -2.312 15.820 -10.721 1.00 0.00 H new ATOM 707 N PHE A 46 0.524 11.657 -8.686 1.00 0.00 N ATOM 708 CA PHE A 46 1.798 11.088 -8.267 1.00 0.00 C ATOM 709 C PHE A 46 1.749 9.551 -8.264 1.00 0.00 C ATOM 710 O PHE A 46 2.752 8.880 -8.546 1.00 0.00 O ATOM 711 CB PHE A 46 2.191 11.598 -6.873 1.00 0.00 C ATOM 712 CG PHE A 46 2.325 13.095 -6.775 1.00 0.00 C ATOM 713 CD1 PHE A 46 3.498 13.726 -7.153 1.00 0.00 C ATOM 714 CD2 PHE A 46 1.276 13.869 -6.296 1.00 0.00 C ATOM 715 CE1 PHE A 46 3.623 15.100 -7.060 1.00 0.00 C ATOM 716 CE2 PHE A 46 1.396 15.242 -6.200 1.00 0.00 C ATOM 717 CZ PHE A 46 2.571 15.858 -6.584 1.00 0.00 C ATOM 0 H PHE A 46 -0.247 11.493 -8.039 1.00 0.00 H new ATOM 0 HA PHE A 46 2.551 11.408 -8.987 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.444 11.264 -6.153 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.138 11.141 -6.585 1.00 0.00 H new ATOM 0 HD1 PHE A 46 4.325 13.139 -7.525 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.355 13.392 -5.995 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.543 15.580 -7.359 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.573 15.832 -5.825 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.667 16.931 -6.512 1.00 0.00 H new ATOM 727 N TYR A 47 0.587 9.000 -7.936 1.00 0.00 N ATOM 728 CA TYR A 47 0.413 7.548 -7.855 1.00 0.00 C ATOM 729 C TYR A 47 -0.403 6.960 -9.001 1.00 0.00 C ATOM 730 O TYR A 47 -0.110 5.870 -9.461 1.00 0.00 O ATOM 731 CB TYR A 47 -0.215 7.163 -6.511 1.00 0.00 C ATOM 732 CG TYR A 47 0.683 7.428 -5.338 1.00 0.00 C ATOM 733 CD1 TYR A 47 0.841 8.707 -4.837 1.00 0.00 C ATOM 734 CD2 TYR A 47 1.385 6.397 -4.738 1.00 0.00 C ATOM 735 CE1 TYR A 47 1.672 8.953 -3.781 1.00 0.00 C ATOM 736 CE2 TYR A 47 2.222 6.636 -3.671 1.00 0.00 C ATOM 737 CZ TYR A 47 2.362 7.916 -3.200 1.00 0.00 C ATOM 738 OH TYR A 47 3.199 8.170 -2.146 1.00 0.00 O ATOM 0 H TYR A 47 -0.254 9.536 -7.720 1.00 0.00 H new ATOM 0 HA TYR A 47 1.412 7.119 -7.940 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.145 7.717 -6.380 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.475 6.105 -6.529 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.299 9.525 -5.288 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.275 5.390 -5.112 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.786 9.959 -3.404 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.763 5.823 -3.210 1.00 0.00 H new ATOM 0 HH TYR A 47 3.612 7.333 -1.847 1.00 0.00 H new ATOM 748 N GLY A 48 -1.383 7.689 -9.471 1.00 0.00 N ATOM 749 CA GLY A 48 -2.285 7.146 -10.472 1.00 0.00 C ATOM 750 C GLY A 48 -1.880 7.453 -11.897 1.00 0.00 C ATOM 751 O GLY A 48 -1.233 6.657 -12.557 1.00 0.00 O ATOM 0 H GLY A 48 -1.581 8.648 -9.186 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.342 6.065 -10.346 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.286 7.541 -10.297 1.00 0.00 H new ATOM 755 N SER A 49 -2.221 8.636 -12.349 1.00 0.00 N ATOM 756 CA SER A 49 -2.028 9.019 -13.743 1.00 0.00 C ATOM 757 C SER A 49 -0.639 9.640 -13.955 1.00 0.00 C ATOM 758 O SER A 49 -0.276 10.058 -15.056 1.00 0.00 O ATOM 759 CB SER A 49 -3.143 9.981 -14.145 1.00 0.00 C ATOM 760 OG SER A 49 -3.140 10.265 -15.531 1.00 0.00 O ATOM 0 H SER A 49 -2.639 9.364 -11.770 1.00 0.00 H new ATOM 0 HA SER A 49 -2.075 8.135 -14.378 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.106 9.552 -13.867 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.035 10.911 -13.587 1.00 0.00 H new ATOM 0 HG SER A 49 -2.216 10.298 -15.856 1.00 0.00 H new ATOM 766 N GLY A 50 0.113 9.673 -12.908 1.00 0.00 N ATOM 767 CA GLY A 50 1.464 10.167 -12.939 1.00 0.00 C ATOM 768 C GLY A 50 2.245 9.317 -12.019 1.00 0.00 C ATOM 769 O GLY A 50 3.204 9.756 -11.371 1.00 0.00 O ATOM 0 H GLY A 50 -0.190 9.354 -11.988 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.871 10.120 -13.949 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.502 11.211 -12.628 1.00 0.00 H new ATOM 773 N GLY A 51 1.802 8.079 -11.962 1.00 0.00 N ATOM 774 CA GLY A 51 2.289 7.111 -11.036 1.00 0.00 C ATOM 775 C GLY A 51 3.729 6.718 -11.177 1.00 0.00 C ATOM 776 O GLY A 51 4.065 5.803 -11.925 1.00 0.00 O ATOM 0 H GLY A 51 1.074 7.721 -12.580 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.137 7.496 -10.028 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.679 6.212 -11.129 1.00 0.00 H new ATOM 780 N ASP A 52 4.581 7.403 -10.446 1.00 0.00 N ATOM 781 CA ASP A 52 5.983 7.002 -10.323 1.00 0.00 C ATOM 782 C ASP A 52 6.011 5.873 -9.315 1.00 0.00 C ATOM 783 O ASP A 52 6.872 5.002 -9.314 1.00 0.00 O ATOM 784 CB ASP A 52 6.837 8.172 -9.821 1.00 0.00 C ATOM 785 CG ASP A 52 8.304 7.823 -9.696 1.00 0.00 C ATOM 786 OD1 ASP A 52 9.033 7.894 -10.720 1.00 0.00 O ATOM 787 OD2 ASP A 52 8.762 7.488 -8.589 1.00 0.00 O ATOM 0 H ASP A 52 4.336 8.244 -9.923 1.00 0.00 H new ATOM 0 HA ASP A 52 6.388 6.693 -11.287 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.727 9.014 -10.504 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.463 8.497 -8.850 1.00 0.00 H new ATOM 792 N TYR A 53 5.001 5.900 -8.481 1.00 0.00 N ATOM 793 CA TYR A 53 4.756 4.925 -7.462 1.00 0.00 C ATOM 794 C TYR A 53 3.500 4.143 -7.843 1.00 0.00 C ATOM 795 O TYR A 53 2.738 3.728 -6.991 1.00 0.00 O ATOM 796 CB TYR A 53 4.530 5.629 -6.122 1.00 0.00 C ATOM 797 CG TYR A 53 5.679 6.495 -5.667 1.00 0.00 C ATOM 798 CD1 TYR A 53 6.806 5.938 -5.079 1.00 0.00 C ATOM 799 CD2 TYR A 53 5.637 7.872 -5.828 1.00 0.00 C ATOM 800 CE1 TYR A 53 7.858 6.731 -4.662 1.00 0.00 C ATOM 801 CE2 TYR A 53 6.680 8.668 -5.417 1.00 0.00 C ATOM 802 CZ TYR A 53 7.789 8.096 -4.834 1.00 0.00 C ATOM 803 OH TYR A 53 8.836 8.893 -4.425 1.00 0.00 O ATOM 0 H TYR A 53 4.298 6.639 -8.500 1.00 0.00 H new ATOM 0 HA TYR A 53 5.609 4.253 -7.370 1.00 0.00 H new ATOM 0 HB2 TYR A 53 3.634 6.246 -6.197 1.00 0.00 H new ATOM 0 HB3 TYR A 53 4.335 4.876 -5.359 1.00 0.00 H new ATOM 0 HD1 TYR A 53 6.862 4.868 -4.945 1.00 0.00 H new ATOM 0 HD2 TYR A 53 4.770 8.327 -6.284 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.728 6.284 -4.204 1.00 0.00 H new ATOM 0 HE2 TYR A 53 6.630 9.738 -5.551 1.00 0.00 H new ATOM 0 HH TYR A 53 8.629 9.831 -4.619 1.00 0.00 H new ATOM 813 N SER A 54 3.311 3.927 -9.133 1.00 0.00 N ATOM 814 CA SER A 54 2.124 3.245 -9.654 1.00 0.00 C ATOM 815 C SER A 54 2.039 1.777 -9.167 1.00 0.00 C ATOM 816 O SER A 54 0.991 1.152 -9.265 1.00 0.00 O ATOM 817 CB SER A 54 2.099 3.316 -11.187 1.00 0.00 C ATOM 818 OG SER A 54 0.910 2.761 -11.731 1.00 0.00 O ATOM 0 H SER A 54 3.972 4.217 -9.854 1.00 0.00 H new ATOM 0 HA SER A 54 1.247 3.762 -9.264 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.190 4.355 -11.502 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.962 2.785 -11.588 1.00 0.00 H new ATOM 0 HG SER A 54 0.535 2.110 -11.102 1.00 0.00 H new ATOM 824 N MET A 55 3.146 1.238 -8.659 1.00 0.00 N ATOM 825 CA MET A 55 3.142 -0.116 -8.084 1.00 0.00 C ATOM 826 C MET A 55 2.707 -0.086 -6.641 1.00 0.00 C ATOM 827 O MET A 55 2.515 -1.106 -6.017 1.00 0.00 O ATOM 828 CB MET A 55 4.487 -0.807 -8.228 1.00 0.00 C ATOM 829 CG MET A 55 4.866 -1.061 -9.661 1.00 0.00 C ATOM 830 SD MET A 55 3.638 -2.071 -10.531 1.00 0.00 S ATOM 831 CE MET A 55 4.377 -2.174 -12.158 1.00 0.00 C ATOM 0 H MET A 55 4.051 1.708 -8.631 1.00 0.00 H new ATOM 0 HA MET A 55 2.419 -0.701 -8.652 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.256 -0.195 -7.757 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.462 -1.755 -7.691 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.981 -0.108 -10.178 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.834 -1.561 -9.695 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.737 -2.767 -12.812 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.489 -1.171 -12.571 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.356 -2.647 -12.084 1.00 0.00 H new ATOM 841 N PHE A 56 2.599 1.097 -6.119 1.00 0.00 N ATOM 842 CA PHE A 56 2.099 1.319 -4.785 1.00 0.00 C ATOM 843 C PHE A 56 0.617 1.580 -4.919 1.00 0.00 C ATOM 844 O PHE A 56 -0.194 1.162 -4.107 1.00 0.00 O ATOM 845 CB PHE A 56 2.763 2.556 -4.166 1.00 0.00 C ATOM 846 CG PHE A 56 4.258 2.486 -3.946 1.00 0.00 C ATOM 847 CD1 PHE A 56 5.138 2.150 -4.972 1.00 0.00 C ATOM 848 CD2 PHE A 56 4.776 2.771 -2.707 1.00 0.00 C ATOM 849 CE1 PHE A 56 6.497 2.103 -4.751 1.00 0.00 C ATOM 850 CE2 PHE A 56 6.126 2.729 -2.481 1.00 0.00 C ATOM 851 CZ PHE A 56 6.994 2.394 -3.501 1.00 0.00 C ATOM 0 H PHE A 56 2.858 1.953 -6.610 1.00 0.00 H new ATOM 0 HA PHE A 56 2.309 0.459 -4.149 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.553 3.412 -4.808 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.287 2.753 -3.206 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.750 1.923 -5.954 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.109 3.032 -1.899 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.169 1.839 -5.554 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.514 2.959 -1.500 1.00 0.00 H new ATOM 0 HZ PHE A 56 8.058 2.360 -3.319 1.00 0.00 H new ATOM 861 N ALA A 57 0.295 2.299 -5.965 1.00 0.00 N ATOM 862 CA ALA A 57 -1.056 2.623 -6.321 1.00 0.00 C ATOM 863 C ALA A 57 -1.857 1.364 -6.595 1.00 0.00 C ATOM 864 O ALA A 57 -1.639 0.679 -7.599 1.00 0.00 O ATOM 865 CB ALA A 57 -1.053 3.502 -7.548 1.00 0.00 C ATOM 0 H ALA A 57 0.988 2.684 -6.607 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.521 3.152 -5.489 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.079 3.750 -7.821 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.502 4.419 -7.338 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.576 2.973 -8.373 1.00 0.00 H new ATOM 871 N GLY A 58 -2.732 1.038 -5.692 1.00 0.00 N ATOM 872 CA GLY A 58 -3.571 -0.103 -5.853 1.00 0.00 C ATOM 873 C GLY A 58 -2.865 -1.360 -5.468 1.00 0.00 C ATOM 874 O GLY A 58 -3.304 -2.445 -5.790 1.00 0.00 O ATOM 0 H GLY A 58 -2.882 1.556 -4.826 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.467 0.014 -5.243 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.899 -0.172 -6.890 1.00 0.00 H new ATOM 878 N LYS A 59 -1.765 -1.239 -4.789 1.00 0.00 N ATOM 879 CA LYS A 59 -1.028 -2.382 -4.470 1.00 0.00 C ATOM 880 C LYS A 59 -0.341 -2.315 -3.117 1.00 0.00 C ATOM 881 O LYS A 59 0.220 -1.299 -2.712 1.00 0.00 O ATOM 882 CB LYS A 59 -0.088 -2.733 -5.650 1.00 0.00 C ATOM 883 CG LYS A 59 0.836 -3.926 -5.484 1.00 0.00 C ATOM 884 CD LYS A 59 0.149 -5.168 -4.953 1.00 0.00 C ATOM 885 CE LYS A 59 -1.154 -5.496 -5.649 1.00 0.00 C ATOM 886 NZ LYS A 59 -1.729 -6.736 -5.109 1.00 0.00 N ATOM 0 H LYS A 59 -1.375 -0.358 -4.455 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.722 -3.212 -4.340 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.706 -2.907 -6.531 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.528 -1.858 -5.860 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.290 -4.158 -6.448 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.646 -3.654 -4.807 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.826 -6.016 -5.053 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.043 -5.037 -3.888 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.859 -4.675 -5.519 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.984 -5.604 -6.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.765 -6.704 -5.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.362 -7.550 -5.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.468 -6.832 -4.107 1.00 0.00 H new ATOM 900 N ASP A 60 -0.489 -3.406 -2.411 1.00 0.00 N ATOM 901 CA ASP A 60 0.171 -3.683 -1.170 1.00 0.00 C ATOM 902 C ASP A 60 1.685 -3.611 -1.342 1.00 0.00 C ATOM 903 O ASP A 60 2.323 -4.522 -1.829 1.00 0.00 O ATOM 904 CB ASP A 60 -0.307 -5.055 -0.642 1.00 0.00 C ATOM 905 CG ASP A 60 -0.379 -6.135 -1.744 1.00 0.00 C ATOM 906 OD1 ASP A 60 -1.439 -6.236 -2.431 1.00 0.00 O ATOM 907 OD2 ASP A 60 0.581 -6.867 -1.956 1.00 0.00 O ATOM 0 H ASP A 60 -1.107 -4.162 -2.706 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.088 -2.929 -0.427 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.369 -5.391 0.144 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.292 -4.940 -0.189 1.00 0.00 H new ATOM 912 N ALA A 61 2.236 -2.492 -0.949 1.00 0.00 N ATOM 913 CA ALA A 61 3.629 -2.193 -1.177 1.00 0.00 C ATOM 914 C ALA A 61 4.449 -2.310 0.092 1.00 0.00 C ATOM 915 O ALA A 61 5.529 -1.752 0.178 1.00 0.00 O ATOM 916 CB ALA A 61 3.743 -0.788 -1.750 1.00 0.00 C ATOM 0 H ALA A 61 1.728 -1.756 -0.458 1.00 0.00 H new ATOM 0 HA ALA A 61 4.028 -2.922 -1.883 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.792 -0.551 -1.926 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.195 -0.733 -2.691 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.323 -0.072 -1.044 1.00 0.00 H new ATOM 922 N SER A 62 3.973 -3.084 1.041 1.00 0.00 N ATOM 923 CA SER A 62 4.662 -3.234 2.317 1.00 0.00 C ATOM 924 C SER A 62 6.096 -3.786 2.121 1.00 0.00 C ATOM 925 O SER A 62 7.057 -3.210 2.605 1.00 0.00 O ATOM 926 CB SER A 62 3.837 -4.107 3.247 1.00 0.00 C ATOM 927 OG SER A 62 2.535 -3.547 3.418 1.00 0.00 O ATOM 0 H SER A 62 3.111 -3.623 0.960 1.00 0.00 H new ATOM 0 HA SER A 62 4.769 -2.252 2.779 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.757 -5.114 2.838 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.334 -4.194 4.213 1.00 0.00 H new ATOM 0 HG SER A 62 1.961 -4.191 3.883 1.00 0.00 H new ATOM 933 N ARG A 63 6.223 -4.876 1.383 1.00 0.00 N ATOM 934 CA ARG A 63 7.537 -5.428 1.054 1.00 0.00 C ATOM 935 C ARG A 63 8.299 -4.500 0.101 1.00 0.00 C ATOM 936 O ARG A 63 9.521 -4.376 0.183 1.00 0.00 O ATOM 937 CB ARG A 63 7.417 -6.839 0.429 1.00 0.00 C ATOM 938 CG ARG A 63 8.732 -7.353 -0.162 1.00 0.00 C ATOM 939 CD ARG A 63 8.601 -8.716 -0.820 1.00 0.00 C ATOM 940 NE ARG A 63 9.787 -9.006 -1.659 1.00 0.00 N ATOM 941 CZ ARG A 63 10.370 -10.199 -1.813 1.00 0.00 C ATOM 942 NH1 ARG A 63 9.974 -11.236 -1.114 1.00 0.00 N ATOM 943 NH2 ARG A 63 11.369 -10.338 -2.674 1.00 0.00 N ATOM 0 H ARG A 63 5.437 -5.399 0.998 1.00 0.00 H new ATOM 0 HA ARG A 63 8.095 -5.511 1.987 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.071 -7.538 1.191 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.658 -6.819 -0.353 1.00 0.00 H new ATOM 0 HG2 ARG A 63 9.097 -6.636 -0.897 1.00 0.00 H new ATOM 0 HG3 ARG A 63 9.481 -7.409 0.628 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.492 -9.486 -0.056 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.700 -8.745 -1.432 1.00 0.00 H new ATOM 0 HE ARG A 63 10.197 -8.222 -2.167 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.212 -11.138 -0.443 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.428 -12.141 -1.242 1.00 0.00 H new ATOM 0 HH21 ARG A 63 11.690 -9.536 -3.216 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.816 -11.247 -2.794 1.00 0.00 H new ATOM 957 N ALA A 64 7.552 -3.778 -0.733 1.00 0.00 N ATOM 958 CA ALA A 64 8.129 -2.990 -1.819 1.00 0.00 C ATOM 959 C ALA A 64 8.918 -1.875 -1.258 1.00 0.00 C ATOM 960 O ALA A 64 9.917 -1.476 -1.801 1.00 0.00 O ATOM 961 CB ALA A 64 7.054 -2.459 -2.744 1.00 0.00 C ATOM 0 H ALA A 64 6.535 -3.723 -0.675 1.00 0.00 H new ATOM 0 HA ALA A 64 8.781 -3.637 -2.405 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.515 -1.877 -3.542 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.502 -3.293 -3.177 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.370 -1.824 -2.181 1.00 0.00 H new ATOM 967 N LEU A 65 8.458 -1.395 -0.159 1.00 0.00 N ATOM 968 CA LEU A 65 9.084 -0.346 0.565 1.00 0.00 C ATOM 969 C LEU A 65 10.494 -0.697 1.037 1.00 0.00 C ATOM 970 O LEU A 65 11.359 0.164 1.089 1.00 0.00 O ATOM 971 CB LEU A 65 8.196 0.039 1.706 1.00 0.00 C ATOM 972 CG LEU A 65 6.911 0.751 1.337 1.00 0.00 C ATOM 973 CD1 LEU A 65 6.102 1.036 2.557 1.00 0.00 C ATOM 974 CD2 LEU A 65 7.214 2.034 0.647 1.00 0.00 C ATOM 0 H LEU A 65 7.602 -1.735 0.278 1.00 0.00 H new ATOM 0 HA LEU A 65 9.217 0.503 -0.106 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.941 -0.863 2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.763 0.681 2.381 1.00 0.00 H new ATOM 0 HG LEU A 65 6.343 0.101 0.671 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.183 1.548 2.273 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.856 0.099 3.057 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.675 1.669 3.234 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.282 2.536 0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.799 2.674 1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.784 1.833 -0.260 1.00 0.00 H new ATOM 986 N GLY A 66 10.734 -1.949 1.344 1.00 0.00 N ATOM 987 CA GLY A 66 12.059 -2.328 1.788 1.00 0.00 C ATOM 988 C GLY A 66 12.904 -2.853 0.652 1.00 0.00 C ATOM 989 O GLY A 66 14.064 -3.213 0.835 1.00 0.00 O ATOM 0 H GLY A 66 10.052 -2.706 1.298 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.551 -1.466 2.239 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.978 -3.090 2.563 1.00 0.00 H new ATOM 993 N LYS A 67 12.317 -2.903 -0.519 1.00 0.00 N ATOM 994 CA LYS A 67 12.997 -3.387 -1.709 1.00 0.00 C ATOM 995 C LYS A 67 13.322 -2.209 -2.611 1.00 0.00 C ATOM 996 O LYS A 67 14.423 -2.095 -3.132 1.00 0.00 O ATOM 997 CB LYS A 67 12.091 -4.383 -2.458 1.00 0.00 C ATOM 998 CG LYS A 67 11.635 -5.622 -1.655 1.00 0.00 C ATOM 999 CD LYS A 67 12.670 -6.761 -1.538 1.00 0.00 C ATOM 1000 CE LYS A 67 13.969 -6.382 -0.863 1.00 0.00 C ATOM 1001 NZ LYS A 67 14.855 -7.556 -0.698 1.00 0.00 N ATOM 0 H LYS A 67 11.353 -2.610 -0.680 1.00 0.00 H new ATOM 0 HA LYS A 67 13.919 -3.893 -1.423 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.204 -3.850 -2.800 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.619 -4.726 -3.348 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.361 -5.300 -0.650 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.733 -6.021 -2.119 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.219 -7.585 -0.986 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.893 -7.132 -2.538 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.478 -5.620 -1.453 1.00 0.00 H new ATOM 0 HE3 LYS A 67 13.759 -5.943 0.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 15.610 -7.329 -0.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 14.301 -8.361 -0.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 15.277 -7.804 -1.616 1.00 0.00 H new ATOM 1015 N MET A 68 12.310 -1.355 -2.791 1.00 0.00 N ATOM 1016 CA MET A 68 12.339 -0.125 -3.592 1.00 0.00 C ATOM 1017 C MET A 68 12.237 -0.485 -5.058 1.00 0.00 C ATOM 1018 O MET A 68 12.423 0.334 -5.962 1.00 0.00 O ATOM 1019 CB MET A 68 13.551 0.762 -3.251 1.00 0.00 C ATOM 1020 CG MET A 68 13.614 1.127 -1.771 1.00 0.00 C ATOM 1021 SD MET A 68 14.968 2.244 -1.350 1.00 0.00 S ATOM 1022 CE MET A 68 14.539 3.692 -2.318 1.00 0.00 C ATOM 0 H MET A 68 11.399 -1.510 -2.359 1.00 0.00 H new ATOM 0 HA MET A 68 11.476 0.492 -3.343 1.00 0.00 H new ATOM 0 HB2 MET A 68 14.467 0.243 -3.532 1.00 0.00 H new ATOM 0 HB3 MET A 68 13.507 1.675 -3.845 1.00 0.00 H new ATOM 0 HG2 MET A 68 12.671 1.590 -1.481 1.00 0.00 H new ATOM 0 HG3 MET A 68 13.715 0.213 -1.185 1.00 0.00 H new ATOM 0 HE1 MET A 68 15.049 4.565 -1.912 1.00 0.00 H new ATOM 0 HE2 MET A 68 14.846 3.542 -3.353 1.00 0.00 H new ATOM 0 HE3 MET A 68 13.461 3.850 -2.278 1.00 0.00 H new ATOM 1032 N SER A 69 11.861 -1.715 -5.247 1.00 0.00 N ATOM 1033 CA SER A 69 11.679 -2.341 -6.505 1.00 0.00 C ATOM 1034 C SER A 69 10.240 -2.213 -6.928 1.00 0.00 C ATOM 1035 O SER A 69 9.325 -2.281 -6.112 1.00 0.00 O ATOM 1036 CB SER A 69 12.080 -3.785 -6.350 1.00 0.00 C ATOM 1037 OG SER A 69 13.439 -3.886 -5.906 1.00 0.00 O ATOM 0 H SER A 69 11.662 -2.342 -4.468 1.00 0.00 H new ATOM 0 HA SER A 69 12.289 -1.872 -7.277 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.421 -4.276 -5.635 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.963 -4.305 -7.301 1.00 0.00 H new ATOM 0 HG SER A 69 13.682 -4.830 -5.809 1.00 0.00 H new ATOM 1043 N LYS A 70 10.069 -2.014 -8.197 1.00 0.00 N ATOM 1044 CA LYS A 70 8.782 -1.762 -8.795 1.00 0.00 C ATOM 1045 C LYS A 70 8.272 -2.993 -9.508 1.00 0.00 C ATOM 1046 O LYS A 70 7.159 -3.025 -10.016 1.00 0.00 O ATOM 1047 CB LYS A 70 8.973 -0.649 -9.760 1.00 0.00 C ATOM 1048 CG LYS A 70 9.456 0.621 -9.107 1.00 0.00 C ATOM 1049 CD LYS A 70 10.060 1.497 -10.140 1.00 0.00 C ATOM 1050 CE LYS A 70 10.340 2.908 -9.647 1.00 0.00 C ATOM 1051 NZ LYS A 70 11.337 2.942 -8.559 1.00 0.00 N ATOM 0 H LYS A 70 10.836 -2.021 -8.869 1.00 0.00 H new ATOM 0 HA LYS A 70 8.045 -1.503 -8.034 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.690 -0.955 -10.522 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.030 -0.453 -10.271 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.626 1.132 -8.619 1.00 0.00 H new ATOM 0 HG3 LYS A 70 10.189 0.391 -8.333 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.992 1.049 -10.486 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.392 1.546 -11.000 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.695 3.516 -10.479 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.411 3.358 -9.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.491 3.926 -8.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.990 2.385 -7.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.234 2.539 -8.897 1.00 0.00 H new ATOM 1065 N ASN A 71 9.109 -3.973 -9.593 1.00 0.00 N ATOM 1066 CA ASN A 71 8.722 -5.251 -10.133 1.00 0.00 C ATOM 1067 C ASN A 71 7.752 -5.909 -9.159 1.00 0.00 C ATOM 1068 O ASN A 71 8.002 -5.947 -7.947 1.00 0.00 O ATOM 1069 CB ASN A 71 9.955 -6.117 -10.424 1.00 0.00 C ATOM 1070 CG ASN A 71 10.840 -6.293 -9.219 1.00 0.00 C ATOM 1071 OD1 ASN A 71 11.711 -5.474 -8.959 1.00 0.00 O ATOM 1072 ND2 ASN A 71 10.672 -7.355 -8.520 1.00 0.00 N ATOM 0 H ASN A 71 10.082 -3.919 -9.292 1.00 0.00 H new ATOM 0 HA ASN A 71 8.216 -5.125 -11.090 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.631 -7.096 -10.778 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.531 -5.662 -11.229 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.275 -7.538 -7.718 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.935 -8.016 -8.766 1.00 0.00 H new ATOM 1079 N GLU A 72 6.666 -6.431 -9.694 1.00 0.00 N ATOM 1080 CA GLU A 72 5.521 -6.897 -8.903 1.00 0.00 C ATOM 1081 C GLU A 72 5.860 -7.963 -7.871 1.00 0.00 C ATOM 1082 O GLU A 72 5.236 -8.015 -6.819 1.00 0.00 O ATOM 1083 CB GLU A 72 4.410 -7.391 -9.814 1.00 0.00 C ATOM 1084 CG GLU A 72 3.856 -6.333 -10.749 1.00 0.00 C ATOM 1085 CD GLU A 72 2.760 -6.872 -11.624 1.00 0.00 C ATOM 1086 OE1 GLU A 72 1.593 -6.906 -11.176 1.00 0.00 O ATOM 1087 OE2 GLU A 72 3.041 -7.269 -12.777 1.00 0.00 O ATOM 0 H GLU A 72 6.543 -6.549 -10.700 1.00 0.00 H new ATOM 0 HA GLU A 72 5.187 -6.027 -8.337 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.786 -8.224 -10.408 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.597 -7.779 -9.200 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.474 -5.496 -10.164 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.660 -5.944 -11.374 1.00 0.00 H new ATOM 1094 N GLU A 73 6.851 -8.782 -8.141 1.00 0.00 N ATOM 1095 CA GLU A 73 7.185 -9.866 -7.223 1.00 0.00 C ATOM 1096 C GLU A 73 7.829 -9.375 -5.930 1.00 0.00 C ATOM 1097 O GLU A 73 7.836 -10.091 -4.920 1.00 0.00 O ATOM 1098 CB GLU A 73 8.008 -10.939 -7.905 1.00 0.00 C ATOM 1099 CG GLU A 73 7.256 -11.607 -9.044 1.00 0.00 C ATOM 1100 CD GLU A 73 6.013 -12.353 -8.571 1.00 0.00 C ATOM 1101 OE1 GLU A 73 4.948 -11.730 -8.400 1.00 0.00 O ATOM 1102 OE2 GLU A 73 6.075 -13.581 -8.373 1.00 0.00 O ATOM 0 H GLU A 73 7.437 -8.727 -8.974 1.00 0.00 H new ATOM 0 HA GLU A 73 6.241 -10.323 -6.926 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.928 -10.499 -8.289 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.297 -11.693 -7.172 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.966 -10.852 -9.774 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.921 -12.304 -9.554 1.00 0.00 H new ATOM 1109 N ASP A 74 8.351 -8.157 -5.946 1.00 0.00 N ATOM 1110 CA ASP A 74 8.909 -7.566 -4.737 1.00 0.00 C ATOM 1111 C ASP A 74 7.895 -6.682 -4.039 1.00 0.00 C ATOM 1112 O ASP A 74 8.178 -6.108 -2.993 1.00 0.00 O ATOM 1113 CB ASP A 74 10.236 -6.808 -4.977 1.00 0.00 C ATOM 1114 CG ASP A 74 11.441 -7.722 -5.143 1.00 0.00 C ATOM 1115 OD1 ASP A 74 11.959 -8.218 -4.133 1.00 0.00 O ATOM 1116 OD2 ASP A 74 11.903 -7.939 -6.277 1.00 0.00 O ATOM 0 H ASP A 74 8.400 -7.563 -6.774 1.00 0.00 H new ATOM 0 HA ASP A 74 9.152 -8.402 -4.081 1.00 0.00 H new ATOM 0 HB2 ASP A 74 10.135 -6.189 -5.869 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.415 -6.133 -4.140 1.00 0.00 H new ATOM 1121 N VAL A 75 6.716 -6.576 -4.616 1.00 0.00 N ATOM 1122 CA VAL A 75 5.642 -5.802 -4.027 1.00 0.00 C ATOM 1123 C VAL A 75 4.671 -6.796 -3.363 1.00 0.00 C ATOM 1124 O VAL A 75 4.086 -7.640 -4.045 1.00 0.00 O ATOM 1125 CB VAL A 75 4.898 -4.951 -5.103 1.00 0.00 C ATOM 1126 CG1 VAL A 75 3.997 -3.926 -4.470 1.00 0.00 C ATOM 1127 CG2 VAL A 75 5.865 -4.272 -6.045 1.00 0.00 C ATOM 0 H VAL A 75 6.475 -7.021 -5.502 1.00 0.00 H new ATOM 0 HA VAL A 75 6.045 -5.103 -3.294 1.00 0.00 H new ATOM 0 HB VAL A 75 4.285 -5.644 -5.679 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.495 -3.352 -5.249 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.252 -4.428 -3.853 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.590 -3.254 -3.849 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.309 -3.689 -6.779 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.521 -3.611 -5.479 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.463 -5.025 -6.557 1.00 0.00 H new ATOM 1137 N SER A 76 4.510 -6.705 -2.056 1.00 0.00 N ATOM 1138 CA SER A 76 3.742 -7.689 -1.303 1.00 0.00 C ATOM 1139 C SER A 76 3.331 -7.081 0.063 1.00 0.00 C ATOM 1140 O SER A 76 3.975 -6.126 0.526 1.00 0.00 O ATOM 1141 CB SER A 76 4.653 -8.930 -1.119 1.00 0.00 C ATOM 1142 OG SER A 76 4.006 -10.017 -0.463 1.00 0.00 O ATOM 0 H SER A 76 4.903 -5.955 -1.487 1.00 0.00 H new ATOM 0 HA SER A 76 2.828 -7.976 -1.823 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.003 -9.262 -2.096 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.534 -8.642 -0.546 1.00 0.00 H new ATOM 0 HG SER A 76 4.631 -10.767 -0.379 1.00 0.00 H new ATOM 1148 N PRO A 77 2.246 -7.595 0.725 1.00 0.00 N ATOM 1149 CA PRO A 77 1.810 -7.093 2.029 1.00 0.00 C ATOM 1150 C PRO A 77 2.535 -7.801 3.170 1.00 0.00 C ATOM 1151 O PRO A 77 2.413 -7.430 4.348 1.00 0.00 O ATOM 1152 CB PRO A 77 0.323 -7.451 2.053 1.00 0.00 C ATOM 1153 CG PRO A 77 0.214 -8.703 1.241 1.00 0.00 C ATOM 1154 CD PRO A 77 1.351 -8.683 0.240 1.00 0.00 C ATOM 0 HA PRO A 77 2.013 -6.030 2.159 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.029 -7.610 3.072 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.283 -6.651 1.628 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.278 -9.584 1.880 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.748 -8.749 0.731 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.870 -9.641 0.208 1.00 0.00 H new ATOM 0 HD3 PRO A 77 0.990 -8.482 -0.769 1.00 0.00 H new ATOM 1162 N SER A 78 3.285 -8.806 2.815 1.00 0.00 N ATOM 1163 CA SER A 78 4.005 -9.585 3.761 1.00 0.00 C ATOM 1164 C SER A 78 5.378 -9.028 3.887 1.00 0.00 C ATOM 1165 O SER A 78 5.891 -8.382 2.965 1.00 0.00 O ATOM 1166 CB SER A 78 4.055 -11.031 3.306 1.00 0.00 C ATOM 1167 OG SER A 78 4.580 -11.885 4.314 1.00 0.00 O ATOM 0 H SER A 78 3.410 -9.104 1.848 1.00 0.00 H new ATOM 0 HA SER A 78 3.510 -9.551 4.731 1.00 0.00 H new ATOM 0 HB2 SER A 78 3.052 -11.362 3.036 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.669 -11.108 2.408 1.00 0.00 H new ATOM 0 HG SER A 78 4.595 -12.808 3.985 1.00 0.00 H new ATOM 1173 N LEU A 79 5.980 -9.272 5.007 1.00 0.00 N ATOM 1174 CA LEU A 79 7.251 -8.759 5.262 1.00 0.00 C ATOM 1175 C LEU A 79 8.216 -9.864 5.314 1.00 0.00 C ATOM 1176 O LEU A 79 8.555 -10.397 6.378 1.00 0.00 O ATOM 1177 CB LEU A 79 7.295 -7.893 6.501 1.00 0.00 C ATOM 1178 CG LEU A 79 6.355 -6.694 6.509 1.00 0.00 C ATOM 1179 CD1 LEU A 79 6.668 -5.778 7.671 1.00 0.00 C ATOM 1180 CD2 LEU A 79 6.402 -5.953 5.185 1.00 0.00 C ATOM 0 H LEU A 79 5.587 -9.836 5.761 1.00 0.00 H new ATOM 0 HA LEU A 79 7.525 -8.092 4.445 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.065 -8.517 7.365 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.315 -7.531 6.632 1.00 0.00 H new ATOM 0 HG LEU A 79 5.336 -7.060 6.639 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.986 -4.928 7.658 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.550 -6.324 8.607 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.694 -5.420 7.586 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.721 -5.102 5.220 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.416 -5.599 5.002 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.102 -6.625 4.381 1.00 0.00 H new ATOM 1192 N GLU A 80 8.571 -10.261 4.165 1.00 0.00 N ATOM 1193 CA GLU A 80 9.459 -11.305 3.935 1.00 0.00 C ATOM 1194 C GLU A 80 10.202 -10.936 2.715 1.00 0.00 C ATOM 1195 O GLU A 80 9.720 -10.116 1.923 1.00 0.00 O ATOM 1196 CB GLU A 80 8.685 -12.638 3.818 1.00 0.00 C ATOM 1197 CG GLU A 80 7.610 -12.689 2.737 1.00 0.00 C ATOM 1198 CD GLU A 80 8.112 -12.929 1.338 1.00 0.00 C ATOM 1199 OE1 GLU A 80 8.471 -14.078 1.013 1.00 0.00 O ATOM 1200 OE2 GLU A 80 8.097 -11.996 0.531 1.00 0.00 O ATOM 0 H GLU A 80 8.224 -9.835 3.306 1.00 0.00 H new ATOM 0 HA GLU A 80 10.164 -11.459 4.752 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.402 -13.437 3.629 1.00 0.00 H new ATOM 0 HB3 GLU A 80 8.217 -12.850 4.779 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.901 -13.477 2.991 1.00 0.00 H new ATOM 0 HG3 GLU A 80 7.060 -11.748 2.751 1.00 0.00 H new ATOM 1207 N GLY A 81 11.354 -11.444 2.578 1.00 0.00 N ATOM 1208 CA GLY A 81 12.156 -11.071 1.479 1.00 0.00 C ATOM 1209 C GLY A 81 12.921 -9.843 1.871 1.00 0.00 C ATOM 1210 O GLY A 81 13.451 -9.103 1.038 1.00 0.00 O ATOM 0 H GLY A 81 11.772 -12.124 3.213 1.00 0.00 H new ATOM 0 HA2 GLY A 81 12.838 -11.878 1.212 1.00 0.00 H new ATOM 0 HA3 GLY A 81 11.538 -10.873 0.603 1.00 0.00 H new ATOM 1214 N LEU A 82 12.945 -9.637 3.170 1.00 0.00 N ATOM 1215 CA LEU A 82 13.513 -8.511 3.802 1.00 0.00 C ATOM 1216 C LEU A 82 14.230 -8.959 5.046 1.00 0.00 C ATOM 1217 O LEU A 82 13.683 -9.735 5.825 1.00 0.00 O ATOM 1218 CB LEU A 82 12.389 -7.580 4.269 1.00 0.00 C ATOM 1219 CG LEU A 82 11.474 -6.946 3.225 1.00 0.00 C ATOM 1220 CD1 LEU A 82 10.408 -6.129 3.927 1.00 0.00 C ATOM 1221 CD2 LEU A 82 12.262 -6.051 2.311 1.00 0.00 C ATOM 0 H LEU A 82 12.541 -10.299 3.832 1.00 0.00 H new ATOM 0 HA LEU A 82 14.186 -8.013 3.104 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.761 -8.143 4.959 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.846 -6.772 4.840 1.00 0.00 H new ATOM 0 HG LEU A 82 11.012 -7.736 2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.751 -5.674 3.186 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.824 -6.777 4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.881 -5.347 4.521 1.00 0.00 H new ATOM 0 HD21 LEU A 82 11.595 -5.607 1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 82 12.735 -5.261 2.894 1.00 0.00 H new ATOM 0 HD23 LEU A 82 13.029 -6.635 1.802 1.00 0.00 H new ATOM 1233 N THR A 83 15.426 -8.511 5.226 1.00 0.00 N ATOM 1234 CA THR A 83 16.098 -8.710 6.474 1.00 0.00 C ATOM 1235 C THR A 83 15.773 -7.477 7.355 1.00 0.00 C ATOM 1236 O THR A 83 15.119 -6.547 6.863 1.00 0.00 O ATOM 1237 CB THR A 83 17.637 -8.909 6.282 1.00 0.00 C ATOM 1238 OG1 THR A 83 18.266 -9.200 7.543 1.00 0.00 O ATOM 1239 CG2 THR A 83 18.289 -7.679 5.660 1.00 0.00 C ATOM 0 H THR A 83 15.964 -8.002 4.525 1.00 0.00 H new ATOM 0 HA THR A 83 15.753 -9.624 6.957 1.00 0.00 H new ATOM 0 HB THR A 83 17.774 -9.750 5.602 1.00 0.00 H new ATOM 0 HG1 THR A 83 19.229 -9.324 7.408 1.00 0.00 H new ATOM 0 HG21 THR A 83 19.358 -7.854 5.542 1.00 0.00 H new ATOM 0 HG22 THR A 83 17.843 -7.485 4.684 1.00 0.00 H new ATOM 0 HG23 THR A 83 18.132 -6.817 6.308 1.00 0.00 H new ATOM 1247 N GLU A 84 16.215 -7.452 8.615 1.00 0.00 N ATOM 1248 CA GLU A 84 15.885 -6.347 9.542 1.00 0.00 C ATOM 1249 C GLU A 84 16.222 -4.987 8.943 1.00 0.00 C ATOM 1250 O GLU A 84 15.409 -4.057 8.994 1.00 0.00 O ATOM 1251 CB GLU A 84 16.591 -6.520 10.888 1.00 0.00 C ATOM 1252 CG GLU A 84 16.266 -5.436 11.901 1.00 0.00 C ATOM 1253 CD GLU A 84 16.923 -5.676 13.228 1.00 0.00 C ATOM 1254 OE1 GLU A 84 16.341 -6.383 14.068 1.00 0.00 O ATOM 1255 OE2 GLU A 84 18.038 -5.166 13.458 1.00 0.00 O ATOM 0 H GLU A 84 16.802 -8.179 9.024 1.00 0.00 H new ATOM 0 HA GLU A 84 14.808 -6.386 9.708 1.00 0.00 H new ATOM 0 HB2 GLU A 84 16.318 -7.488 11.308 1.00 0.00 H new ATOM 0 HB3 GLU A 84 17.668 -6.536 10.722 1.00 0.00 H new ATOM 0 HG2 GLU A 84 16.586 -4.470 11.510 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.186 -5.383 12.038 1.00 0.00 H new ATOM 1262 N LYS A 85 17.400 -4.893 8.352 1.00 0.00 N ATOM 1263 CA LYS A 85 17.862 -3.671 7.719 1.00 0.00 C ATOM 1264 C LYS A 85 16.934 -3.252 6.584 1.00 0.00 C ATOM 1265 O LYS A 85 16.626 -2.080 6.426 1.00 0.00 O ATOM 1266 CB LYS A 85 19.330 -3.833 7.257 1.00 0.00 C ATOM 1267 CG LYS A 85 19.940 -2.616 6.550 1.00 0.00 C ATOM 1268 CD LYS A 85 19.596 -2.510 5.058 1.00 0.00 C ATOM 1269 CE LYS A 85 20.097 -3.717 4.272 1.00 0.00 C ATOM 1270 NZ LYS A 85 19.811 -3.596 2.830 1.00 0.00 N ATOM 0 H LYS A 85 18.065 -5.665 8.298 1.00 0.00 H new ATOM 0 HA LYS A 85 17.836 -2.862 8.450 1.00 0.00 H new ATOM 0 HB2 LYS A 85 19.942 -4.070 8.127 1.00 0.00 H new ATOM 0 HB3 LYS A 85 19.388 -4.689 6.584 1.00 0.00 H new ATOM 0 HG2 LYS A 85 19.601 -1.711 7.054 1.00 0.00 H new ATOM 0 HG3 LYS A 85 21.024 -2.654 6.659 1.00 0.00 H new ATOM 0 HD2 LYS A 85 18.516 -2.423 4.940 1.00 0.00 H new ATOM 0 HD3 LYS A 85 20.036 -1.601 4.648 1.00 0.00 H new ATOM 0 HE2 LYS A 85 21.171 -3.826 4.420 1.00 0.00 H new ATOM 0 HE3 LYS A 85 19.629 -4.622 4.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 20.168 -4.437 2.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 18.784 -3.518 2.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 20.279 -2.747 2.453 1.00 0.00 H new ATOM 1284 N GLU A 86 16.465 -4.217 5.838 1.00 0.00 N ATOM 1285 CA GLU A 86 15.568 -3.971 4.731 1.00 0.00 C ATOM 1286 C GLU A 86 14.234 -3.533 5.217 1.00 0.00 C ATOM 1287 O GLU A 86 13.551 -2.735 4.579 1.00 0.00 O ATOM 1288 CB GLU A 86 15.445 -5.195 3.880 1.00 0.00 C ATOM 1289 CG GLU A 86 16.703 -5.497 3.099 1.00 0.00 C ATOM 1290 CD GLU A 86 16.592 -6.711 2.243 1.00 0.00 C ATOM 1291 OE1 GLU A 86 16.508 -7.821 2.795 1.00 0.00 O ATOM 1292 OE2 GLU A 86 16.630 -6.581 1.002 1.00 0.00 O ATOM 0 H GLU A 86 16.693 -5.201 5.979 1.00 0.00 H new ATOM 0 HA GLU A 86 15.985 -3.167 4.124 1.00 0.00 H new ATOM 0 HB2 GLU A 86 15.203 -6.049 4.513 1.00 0.00 H new ATOM 0 HB3 GLU A 86 14.614 -5.067 3.186 1.00 0.00 H new ATOM 0 HG2 GLU A 86 16.946 -4.640 2.471 1.00 0.00 H new ATOM 0 HG3 GLU A 86 17.531 -5.627 3.795 1.00 0.00 H new ATOM 1299 N ILE A 87 13.867 -4.034 6.356 1.00 0.00 N ATOM 1300 CA ILE A 87 12.613 -3.674 6.929 1.00 0.00 C ATOM 1301 C ILE A 87 12.694 -2.248 7.416 1.00 0.00 C ATOM 1302 O ILE A 87 11.750 -1.500 7.295 1.00 0.00 O ATOM 1303 CB ILE A 87 12.190 -4.581 8.087 1.00 0.00 C ATOM 1304 CG1 ILE A 87 12.013 -6.022 7.637 1.00 0.00 C ATOM 1305 CG2 ILE A 87 10.903 -4.072 8.672 1.00 0.00 C ATOM 1306 CD1 ILE A 87 11.570 -6.935 8.760 1.00 0.00 C ATOM 0 H ILE A 87 14.419 -4.693 6.905 1.00 0.00 H new ATOM 0 HA ILE A 87 11.858 -3.789 6.151 1.00 0.00 H new ATOM 0 HB ILE A 87 12.979 -4.562 8.839 1.00 0.00 H new ATOM 0 HG12 ILE A 87 11.278 -6.059 6.833 1.00 0.00 H new ATOM 0 HG13 ILE A 87 12.954 -6.388 7.226 1.00 0.00 H new ATOM 0 HG21 ILE A 87 10.599 -4.716 9.497 1.00 0.00 H new ATOM 0 HG22 ILE A 87 11.047 -3.056 9.039 1.00 0.00 H new ATOM 0 HG23 ILE A 87 10.128 -4.075 7.905 1.00 0.00 H new ATOM 0 HD11 ILE A 87 11.460 -7.951 8.381 1.00 0.00 H new ATOM 0 HD12 ILE A 87 12.316 -6.923 9.554 1.00 0.00 H new ATOM 0 HD13 ILE A 87 10.615 -6.589 9.155 1.00 0.00 H new ATOM 1318 N ASN A 88 13.857 -1.880 7.936 1.00 0.00 N ATOM 1319 CA ASN A 88 14.118 -0.518 8.416 1.00 0.00 C ATOM 1320 C ASN A 88 13.813 0.501 7.356 1.00 0.00 C ATOM 1321 O ASN A 88 13.330 1.597 7.651 1.00 0.00 O ATOM 1322 CB ASN A 88 15.566 -0.348 8.846 1.00 0.00 C ATOM 1323 CG ASN A 88 15.925 -1.091 10.124 1.00 0.00 C ATOM 1324 OD1 ASN A 88 15.086 -1.284 11.009 1.00 0.00 O ATOM 1325 ND2 ASN A 88 17.158 -1.509 10.237 1.00 0.00 N ATOM 0 H ASN A 88 14.650 -2.513 8.040 1.00 0.00 H new ATOM 0 HA ASN A 88 13.464 -0.361 9.274 1.00 0.00 H new ATOM 0 HB2 ASN A 88 16.216 -0.694 8.042 1.00 0.00 H new ATOM 0 HB3 ASN A 88 15.770 0.714 8.986 1.00 0.00 H new ATOM 0 HD21 ASN A 88 17.452 -2.011 11.075 1.00 0.00 H new ATOM 0 HD22 ASN A 88 17.827 -1.333 9.487 1.00 0.00 H new ATOM 1332 N THR A 89 14.090 0.144 6.132 1.00 0.00 N ATOM 1333 CA THR A 89 13.831 0.986 5.014 1.00 0.00 C ATOM 1334 C THR A 89 12.312 1.259 4.874 1.00 0.00 C ATOM 1335 O THR A 89 11.880 2.409 4.766 1.00 0.00 O ATOM 1336 CB THR A 89 14.363 0.295 3.763 1.00 0.00 C ATOM 1337 OG1 THR A 89 15.760 0.007 3.944 1.00 0.00 O ATOM 1338 CG2 THR A 89 14.181 1.167 2.573 1.00 0.00 C ATOM 0 H THR A 89 14.508 -0.754 5.888 1.00 0.00 H new ATOM 0 HA THR A 89 14.328 1.946 5.152 1.00 0.00 H new ATOM 0 HB THR A 89 13.811 -0.631 3.602 1.00 0.00 H new ATOM 0 HG1 THR A 89 16.108 -0.439 3.144 1.00 0.00 H new ATOM 0 HG21 THR A 89 14.566 0.660 1.688 1.00 0.00 H new ATOM 0 HG22 THR A 89 13.121 1.380 2.437 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.723 2.101 2.720 1.00 0.00 H new ATOM 1346 N LEU A 90 11.534 0.207 4.955 1.00 0.00 N ATOM 1347 CA LEU A 90 10.075 0.275 4.886 1.00 0.00 C ATOM 1348 C LEU A 90 9.500 0.891 6.152 1.00 0.00 C ATOM 1349 O LEU A 90 8.542 1.643 6.105 1.00 0.00 O ATOM 1350 CB LEU A 90 9.544 -1.135 4.691 1.00 0.00 C ATOM 1351 CG LEU A 90 8.312 -1.532 5.508 1.00 0.00 C ATOM 1352 CD1 LEU A 90 7.016 -1.004 4.956 1.00 0.00 C ATOM 1353 CD2 LEU A 90 8.274 -2.991 5.740 1.00 0.00 C ATOM 0 H LEU A 90 11.892 -0.741 5.073 1.00 0.00 H new ATOM 0 HA LEU A 90 9.775 0.908 4.051 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.307 -1.265 3.635 1.00 0.00 H new ATOM 0 HB3 LEU A 90 10.346 -1.835 4.926 1.00 0.00 H new ATOM 0 HG LEU A 90 8.419 -1.042 6.476 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.191 -1.328 5.590 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.048 0.085 4.931 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.868 -1.386 3.946 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.388 -3.244 6.323 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.239 -3.511 4.783 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.167 -3.296 6.286 1.00 0.00 H new ATOM 1365 N ASN A 91 10.092 0.541 7.260 1.00 0.00 N ATOM 1366 CA ASN A 91 9.712 1.018 8.584 1.00 0.00 C ATOM 1367 C ASN A 91 9.758 2.558 8.578 1.00 0.00 C ATOM 1368 O ASN A 91 8.892 3.249 9.136 1.00 0.00 O ATOM 1369 CB ASN A 91 10.735 0.462 9.579 1.00 0.00 C ATOM 1370 CG ASN A 91 10.195 0.232 10.961 1.00 0.00 C ATOM 1371 OD1 ASN A 91 10.190 1.119 11.809 1.00 0.00 O ATOM 1372 ND2 ASN A 91 9.774 -0.995 11.209 1.00 0.00 N ATOM 0 H ASN A 91 10.881 -0.106 7.279 1.00 0.00 H new ATOM 0 HA ASN A 91 8.708 0.694 8.859 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.124 -0.480 9.193 1.00 0.00 H new ATOM 0 HB3 ASN A 91 11.576 1.153 9.641 1.00 0.00 H new ATOM 0 HD21 ASN A 91 9.426 -1.237 12.137 1.00 0.00 H new ATOM 0 HD22 ASN A 91 9.797 -1.701 10.473 1.00 0.00 H new ATOM 1379 N ASP A 92 10.776 3.075 7.902 1.00 0.00 N ATOM 1380 CA ASP A 92 10.939 4.502 7.670 1.00 0.00 C ATOM 1381 C ASP A 92 9.821 5.006 6.756 1.00 0.00 C ATOM 1382 O ASP A 92 9.181 6.010 7.048 1.00 0.00 O ATOM 1383 CB ASP A 92 12.315 4.765 7.035 1.00 0.00 C ATOM 1384 CG ASP A 92 12.565 6.211 6.659 1.00 0.00 C ATOM 1385 OD1 ASP A 92 12.993 6.999 7.533 1.00 0.00 O ATOM 1386 OD2 ASP A 92 12.383 6.567 5.463 1.00 0.00 O ATOM 0 H ASP A 92 11.520 2.508 7.495 1.00 0.00 H new ATOM 0 HA ASP A 92 10.882 5.037 8.618 1.00 0.00 H new ATOM 0 HB2 ASP A 92 13.090 4.444 7.731 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.413 4.148 6.142 1.00 0.00 H new ATOM 1391 N TRP A 93 9.563 4.255 5.675 1.00 0.00 N ATOM 1392 CA TRP A 93 8.535 4.572 4.696 1.00 0.00 C ATOM 1393 C TRP A 93 7.157 4.714 5.294 1.00 0.00 C ATOM 1394 O TRP A 93 6.428 5.645 4.933 1.00 0.00 O ATOM 1395 CB TRP A 93 8.527 3.562 3.564 1.00 0.00 C ATOM 1396 CG TRP A 93 9.591 3.767 2.508 1.00 0.00 C ATOM 1397 CD1 TRP A 93 10.561 2.891 2.142 1.00 0.00 C ATOM 1398 CD2 TRP A 93 9.781 4.931 1.682 1.00 0.00 C ATOM 1399 NE1 TRP A 93 11.330 3.414 1.134 1.00 0.00 N ATOM 1400 CE2 TRP A 93 10.877 4.667 0.835 1.00 0.00 C ATOM 1401 CE3 TRP A 93 9.131 6.162 1.570 1.00 0.00 C ATOM 1402 CZ2 TRP A 93 11.334 5.588 -0.104 1.00 0.00 C ATOM 1403 CZ3 TRP A 93 9.586 7.076 0.638 1.00 0.00 C ATOM 1404 CH2 TRP A 93 10.677 6.784 -0.188 1.00 0.00 C ATOM 0 H TRP A 93 10.075 3.399 5.461 1.00 0.00 H new ATOM 0 HA TRP A 93 8.798 5.551 4.295 1.00 0.00 H new ATOM 0 HB2 TRP A 93 8.646 2.565 3.988 1.00 0.00 H new ATOM 0 HB3 TRP A 93 7.550 3.589 3.082 1.00 0.00 H new ATOM 0 HD1 TRP A 93 10.707 1.916 2.584 1.00 0.00 H new ATOM 0 HE1 TRP A 93 12.113 2.943 0.681 1.00 0.00 H new ATOM 0 HE3 TRP A 93 8.287 6.396 2.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 12.176 5.366 -0.742 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 9.091 8.031 0.546 1.00 0.00 H new ATOM 0 HH2 TRP A 93 11.007 7.519 -0.907 1.00 0.00 H new ATOM 1415 N GLU A 94 6.806 3.808 6.205 1.00 0.00 N ATOM 1416 CA GLU A 94 5.519 3.847 6.906 1.00 0.00 C ATOM 1417 C GLU A 94 5.295 5.229 7.448 1.00 0.00 C ATOM 1418 O GLU A 94 4.404 5.925 7.047 1.00 0.00 O ATOM 1419 CB GLU A 94 5.545 2.912 8.104 1.00 0.00 C ATOM 1420 CG GLU A 94 5.799 1.468 7.807 1.00 0.00 C ATOM 1421 CD GLU A 94 5.817 0.663 9.074 1.00 0.00 C ATOM 1422 OE1 GLU A 94 4.730 0.420 9.644 1.00 0.00 O ATOM 1423 OE2 GLU A 94 6.885 0.270 9.543 1.00 0.00 O ATOM 0 H GLU A 94 7.402 3.027 6.479 1.00 0.00 H new ATOM 0 HA GLU A 94 4.738 3.555 6.204 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.313 3.260 8.794 1.00 0.00 H new ATOM 0 HB3 GLU A 94 4.590 2.993 8.623 1.00 0.00 H new ATOM 0 HG2 GLU A 94 5.027 1.087 7.139 1.00 0.00 H new ATOM 0 HG3 GLU A 94 6.751 1.360 7.288 1.00 0.00 H new ATOM 1430 N THR A 95 6.203 5.599 8.281 1.00 0.00 N ATOM 1431 CA THR A 95 6.252 6.814 9.033 1.00 0.00 C ATOM 1432 C THR A 95 6.090 8.052 8.135 1.00 0.00 C ATOM 1433 O THR A 95 5.455 9.042 8.526 1.00 0.00 O ATOM 1434 CB THR A 95 7.639 6.860 9.722 1.00 0.00 C ATOM 1435 OG1 THR A 95 7.854 5.622 10.443 1.00 0.00 O ATOM 1436 CG2 THR A 95 7.747 8.024 10.690 1.00 0.00 C ATOM 0 H THR A 95 7.009 5.005 8.475 1.00 0.00 H new ATOM 0 HA THR A 95 5.434 6.830 9.753 1.00 0.00 H new ATOM 0 HB THR A 95 8.396 6.991 8.948 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.322 4.984 9.865 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.734 8.022 11.153 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.601 8.960 10.151 1.00 0.00 H new ATOM 0 HG23 THR A 95 6.984 7.927 11.462 1.00 0.00 H new ATOM 1444 N LYS A 96 6.640 7.980 6.936 1.00 0.00 N ATOM 1445 CA LYS A 96 6.655 9.106 6.047 1.00 0.00 C ATOM 1446 C LYS A 96 5.316 9.256 5.435 1.00 0.00 C ATOM 1447 O LYS A 96 4.734 10.321 5.436 1.00 0.00 O ATOM 1448 CB LYS A 96 7.697 8.873 4.973 1.00 0.00 C ATOM 1449 CG LYS A 96 9.066 8.615 5.542 1.00 0.00 C ATOM 1450 CD LYS A 96 9.632 9.828 6.246 1.00 0.00 C ATOM 1451 CE LYS A 96 10.983 9.516 6.834 1.00 0.00 C ATOM 1452 NZ LYS A 96 11.554 10.662 7.561 1.00 0.00 N ATOM 0 H LYS A 96 7.084 7.141 6.562 1.00 0.00 H new ATOM 0 HA LYS A 96 6.902 10.016 6.594 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.397 8.024 4.359 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.738 9.742 4.317 1.00 0.00 H new ATOM 0 HG2 LYS A 96 9.015 7.782 6.243 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.740 8.316 4.740 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.718 10.656 5.543 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.951 10.148 7.035 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.895 8.666 7.511 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.664 9.219 6.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.483 10.400 7.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.664 11.466 6.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.919 10.931 8.339 1.00 0.00 H new ATOM 1466 N PHE A 97 4.796 8.147 4.995 1.00 0.00 N ATOM 1467 CA PHE A 97 3.535 8.105 4.346 1.00 0.00 C ATOM 1468 C PHE A 97 2.406 8.296 5.331 1.00 0.00 C ATOM 1469 O PHE A 97 1.417 8.960 5.031 1.00 0.00 O ATOM 1470 CB PHE A 97 3.393 6.819 3.560 1.00 0.00 C ATOM 1471 CG PHE A 97 4.310 6.716 2.362 1.00 0.00 C ATOM 1472 CD1 PHE A 97 4.409 7.762 1.458 1.00 0.00 C ATOM 1473 CD2 PHE A 97 5.047 5.573 2.128 1.00 0.00 C ATOM 1474 CE1 PHE A 97 5.225 7.667 0.351 1.00 0.00 C ATOM 1475 CE2 PHE A 97 5.866 5.474 1.026 1.00 0.00 C ATOM 1476 CZ PHE A 97 5.955 6.522 0.134 1.00 0.00 C ATOM 0 H PHE A 97 5.249 7.238 5.082 1.00 0.00 H new ATOM 0 HA PHE A 97 3.478 8.934 3.640 1.00 0.00 H new ATOM 0 HB2 PHE A 97 3.588 5.977 4.225 1.00 0.00 H new ATOM 0 HB3 PHE A 97 2.361 6.726 3.222 1.00 0.00 H new ATOM 0 HD1 PHE A 97 3.839 8.664 1.623 1.00 0.00 H new ATOM 0 HD2 PHE A 97 4.980 4.745 2.819 1.00 0.00 H new ATOM 0 HE1 PHE A 97 5.291 8.490 -0.345 1.00 0.00 H new ATOM 0 HE2 PHE A 97 6.440 4.574 0.860 1.00 0.00 H new ATOM 0 HZ PHE A 97 6.596 6.444 -0.732 1.00 0.00 H new ATOM 1486 N GLU A 98 2.586 7.749 6.509 1.00 0.00 N ATOM 1487 CA GLU A 98 1.653 7.866 7.611 1.00 0.00 C ATOM 1488 C GLU A 98 1.433 9.307 8.051 1.00 0.00 C ATOM 1489 O GLU A 98 0.416 9.627 8.663 1.00 0.00 O ATOM 1490 CB GLU A 98 2.083 6.968 8.787 1.00 0.00 C ATOM 1491 CG GLU A 98 1.766 5.500 8.599 1.00 0.00 C ATOM 1492 CD GLU A 98 1.961 4.704 9.853 1.00 0.00 C ATOM 1493 OE1 GLU A 98 3.105 4.385 10.208 1.00 0.00 O ATOM 1494 OE2 GLU A 98 0.956 4.389 10.510 1.00 0.00 O ATOM 0 H GLU A 98 3.410 7.193 6.737 1.00 0.00 H new ATOM 0 HA GLU A 98 0.687 7.515 7.249 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.157 7.079 8.940 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.594 7.320 9.695 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.734 5.395 8.263 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.401 5.093 7.812 1.00 0.00 H new ATOM 1501 N ALA A 99 2.356 10.175 7.722 1.00 0.00 N ATOM 1502 CA ALA A 99 2.236 11.559 8.089 1.00 0.00 C ATOM 1503 C ALA A 99 1.616 12.370 6.958 1.00 0.00 C ATOM 1504 O ALA A 99 1.183 13.507 7.163 1.00 0.00 O ATOM 1505 CB ALA A 99 3.597 12.127 8.463 1.00 0.00 C ATOM 0 H ALA A 99 3.201 9.944 7.199 1.00 0.00 H new ATOM 0 HA ALA A 99 1.578 11.625 8.955 1.00 0.00 H new ATOM 0 HB1 ALA A 99 3.490 13.176 8.739 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.004 11.570 9.307 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.273 12.043 7.612 1.00 0.00 H new ATOM 1511 N LYS A 100 1.543 11.786 5.773 1.00 0.00 N ATOM 1512 CA LYS A 100 1.083 12.479 4.621 1.00 0.00 C ATOM 1513 C LYS A 100 -0.314 12.075 4.295 1.00 0.00 C ATOM 1514 O LYS A 100 -1.203 12.912 4.116 1.00 0.00 O ATOM 1515 CB LYS A 100 1.956 12.065 3.494 1.00 0.00 C ATOM 1516 CG LYS A 100 3.399 12.385 3.716 1.00 0.00 C ATOM 1517 CD LYS A 100 4.240 11.748 2.667 1.00 0.00 C ATOM 1518 CE LYS A 100 3.900 12.253 1.302 1.00 0.00 C ATOM 1519 NZ LYS A 100 4.228 13.684 1.126 1.00 0.00 N ATOM 0 H LYS A 100 1.806 10.815 5.601 1.00 0.00 H new ATOM 0 HA LYS A 100 1.109 13.555 4.794 1.00 0.00 H new ATOM 0 HB2 LYS A 100 1.849 10.992 3.336 1.00 0.00 H new ATOM 0 HB3 LYS A 100 1.618 12.557 2.582 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.545 13.465 3.701 1.00 0.00 H new ATOM 0 HG3 LYS A 100 3.708 12.035 4.701 1.00 0.00 H new ATOM 0 HD2 LYS A 100 5.292 11.944 2.876 1.00 0.00 H new ATOM 0 HD3 LYS A 100 4.104 10.667 2.699 1.00 0.00 H new ATOM 0 HE2 LYS A 100 4.438 11.667 0.557 1.00 0.00 H new ATOM 0 HE3 LYS A 100 2.836 12.103 1.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 4.133 13.941 0.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 3.577 14.262 1.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.205 13.857 1.437 1.00 0.00 H new ATOM 1533 N TYR A 101 -0.499 10.789 4.218 1.00 0.00 N ATOM 1534 CA TYR A 101 -1.740 10.227 3.806 1.00 0.00 C ATOM 1535 C TYR A 101 -2.453 9.629 4.999 1.00 0.00 C ATOM 1536 O TYR A 101 -1.824 8.983 5.844 1.00 0.00 O ATOM 1537 CB TYR A 101 -1.475 9.127 2.780 1.00 0.00 C ATOM 1538 CG TYR A 101 -0.516 9.523 1.681 1.00 0.00 C ATOM 1539 CD1 TYR A 101 -0.719 10.664 0.915 1.00 0.00 C ATOM 1540 CD2 TYR A 101 0.614 8.759 1.428 1.00 0.00 C ATOM 1541 CE1 TYR A 101 0.183 11.032 -0.064 1.00 0.00 C ATOM 1542 CE2 TYR A 101 1.506 9.115 0.450 1.00 0.00 C ATOM 1543 CZ TYR A 101 1.293 10.253 -0.290 1.00 0.00 C ATOM 1544 OH TYR A 101 2.215 10.627 -1.247 1.00 0.00 O ATOM 0 H TYR A 101 0.218 10.099 4.443 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.362 11.007 3.366 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -1.078 8.253 3.296 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -2.422 8.829 2.330 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -1.595 11.272 1.088 1.00 0.00 H new ATOM 0 HD2 TYR A 101 0.794 7.868 2.012 1.00 0.00 H new ATOM 0 HE1 TYR A 101 0.018 11.925 -0.648 1.00 0.00 H new ATOM 0 HE2 TYR A 101 2.375 8.502 0.261 1.00 0.00 H new ATOM 0 HH TYR A 101 2.511 9.835 -1.743 1.00 0.00 H new ATOM 1554 N PRO A 102 -3.750 9.872 5.129 1.00 0.00 N ATOM 1555 CA PRO A 102 -4.549 9.264 6.177 1.00 0.00 C ATOM 1556 C PRO A 102 -4.794 7.797 5.857 1.00 0.00 C ATOM 1557 O PRO A 102 -5.086 7.438 4.695 1.00 0.00 O ATOM 1558 CB PRO A 102 -5.860 10.051 6.124 1.00 0.00 C ATOM 1559 CG PRO A 102 -5.956 10.532 4.724 1.00 0.00 C ATOM 1560 CD PRO A 102 -4.547 10.776 4.275 1.00 0.00 C ATOM 0 HA PRO A 102 -4.075 9.295 7.158 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.710 9.421 6.385 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -5.851 10.883 6.828 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.445 9.793 4.090 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.548 11.445 4.665 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.418 10.546 3.217 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.257 11.818 4.413 1.00 0.00 H new ATOM 1568 N VAL A 103 -4.668 6.947 6.839 1.00 0.00 N ATOM 1569 CA VAL A 103 -4.872 5.550 6.575 1.00 0.00 C ATOM 1570 C VAL A 103 -6.341 5.175 6.673 1.00 0.00 C ATOM 1571 O VAL A 103 -6.964 5.195 7.755 1.00 0.00 O ATOM 1572 CB VAL A 103 -3.915 4.556 7.342 1.00 0.00 C ATOM 1573 CG1 VAL A 103 -2.484 4.920 7.104 1.00 0.00 C ATOM 1574 CG2 VAL A 103 -4.171 4.445 8.822 1.00 0.00 C ATOM 0 H VAL A 103 -4.432 7.187 7.802 1.00 0.00 H new ATOM 0 HA VAL A 103 -4.563 5.414 5.538 1.00 0.00 H new ATOM 0 HB VAL A 103 -4.137 3.573 6.927 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -1.838 4.225 7.640 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -2.268 4.867 6.037 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -2.302 5.934 7.461 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -3.465 3.740 9.261 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -4.045 5.423 9.287 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -5.188 4.092 8.990 1.00 0.00 H new ATOM 1584 N VAL A 104 -6.898 4.891 5.531 1.00 0.00 N ATOM 1585 CA VAL A 104 -8.271 4.562 5.399 1.00 0.00 C ATOM 1586 C VAL A 104 -8.479 3.137 4.872 1.00 0.00 C ATOM 1587 O VAL A 104 -8.843 2.923 3.717 1.00 0.00 O ATOM 1588 CB VAL A 104 -9.071 5.601 4.544 1.00 0.00 C ATOM 1589 CG1 VAL A 104 -9.122 6.949 5.250 1.00 0.00 C ATOM 1590 CG2 VAL A 104 -8.440 5.765 3.158 1.00 0.00 C ATOM 0 H VAL A 104 -6.388 4.884 4.648 1.00 0.00 H new ATOM 0 HA VAL A 104 -8.679 4.604 6.409 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.087 5.225 4.424 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -9.682 7.658 4.640 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.612 6.835 6.217 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -8.108 7.320 5.399 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -9.012 6.492 2.581 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.413 6.114 3.265 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -8.445 4.806 2.640 1.00 0.00 H new ATOM 1600 N GLY A 105 -8.157 2.170 5.681 1.00 0.00 N ATOM 1601 CA GLY A 105 -8.492 0.846 5.313 1.00 0.00 C ATOM 1602 C GLY A 105 -7.544 -0.202 5.786 1.00 0.00 C ATOM 1603 O GLY A 105 -6.544 0.081 6.456 1.00 0.00 O ATOM 0 H GLY A 105 -7.676 2.277 6.574 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -9.485 0.618 5.701 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -8.555 0.793 4.226 1.00 0.00 H new ATOM 1607 N ARG A 106 -7.868 -1.398 5.418 1.00 0.00 N ATOM 1608 CA ARG A 106 -7.162 -2.602 5.756 1.00 0.00 C ATOM 1609 C ARG A 106 -7.148 -3.494 4.560 1.00 0.00 C ATOM 1610 O ARG A 106 -8.168 -3.737 3.989 1.00 0.00 O ATOM 1611 CB ARG A 106 -7.921 -3.307 6.879 1.00 0.00 C ATOM 1612 CG ARG A 106 -7.568 -4.787 7.119 1.00 0.00 C ATOM 1613 CD ARG A 106 -6.118 -4.994 7.467 1.00 0.00 C ATOM 1614 NE ARG A 106 -5.761 -4.256 8.644 1.00 0.00 N ATOM 1615 CZ ARG A 106 -4.530 -4.223 9.181 1.00 0.00 C ATOM 1616 NH1 ARG A 106 -3.538 -4.945 8.650 1.00 0.00 N ATOM 1617 NH2 ARG A 106 -4.298 -3.490 10.254 1.00 0.00 N ATOM 0 H ARG A 106 -8.686 -1.578 4.835 1.00 0.00 H new ATOM 0 HA ARG A 106 -6.144 -2.372 6.070 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -7.747 -2.760 7.805 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -8.988 -3.240 6.665 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -8.189 -5.177 7.925 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -7.808 -5.362 6.225 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -5.927 -6.055 7.627 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -5.492 -4.679 6.632 1.00 0.00 H new ATOM 0 HE ARG A 106 -6.494 -3.718 9.106 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -3.713 -5.527 7.831 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.606 -4.914 9.064 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -5.053 -2.949 10.675 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -3.364 -3.465 10.662 1.00 0.00 H new ATOM 1631 N VAL A 107 -6.015 -3.952 4.181 1.00 0.00 N ATOM 1632 CA VAL A 107 -5.939 -4.910 3.124 1.00 0.00 C ATOM 1633 C VAL A 107 -5.777 -6.283 3.764 1.00 0.00 C ATOM 1634 O VAL A 107 -5.055 -6.438 4.762 1.00 0.00 O ATOM 1635 CB VAL A 107 -4.771 -4.620 2.153 1.00 0.00 C ATOM 1636 CG1 VAL A 107 -3.465 -4.788 2.846 1.00 0.00 C ATOM 1637 CG2 VAL A 107 -4.847 -5.486 0.914 1.00 0.00 C ATOM 0 H VAL A 107 -5.118 -3.683 4.584 1.00 0.00 H new ATOM 0 HA VAL A 107 -6.849 -4.862 2.525 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.857 -3.584 1.826 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.654 -4.580 2.148 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.407 -4.096 3.686 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.376 -5.811 3.212 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.010 -5.254 0.256 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -4.802 -6.537 1.201 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.784 -5.292 0.392 1.00 0.00 H new ATOM 1647 N VAL A 108 -6.470 -7.233 3.259 1.00 0.00 N ATOM 1648 CA VAL A 108 -6.439 -8.561 3.782 1.00 0.00 C ATOM 1649 C VAL A 108 -6.102 -9.503 2.678 1.00 0.00 C ATOM 1650 O VAL A 108 -6.430 -9.234 1.516 1.00 0.00 O ATOM 1651 CB VAL A 108 -7.795 -8.943 4.438 1.00 0.00 C ATOM 1652 CG1 VAL A 108 -8.137 -7.915 5.457 1.00 0.00 C ATOM 1653 CG2 VAL A 108 -8.923 -9.035 3.427 1.00 0.00 C ATOM 0 H VAL A 108 -7.088 -7.116 2.456 1.00 0.00 H new ATOM 0 HA VAL A 108 -5.679 -8.620 4.561 1.00 0.00 H new ATOM 0 HB VAL A 108 -7.682 -9.928 4.891 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -9.087 -8.170 5.926 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -7.355 -7.881 6.216 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -8.220 -6.940 4.977 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -9.848 -9.305 3.937 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -9.049 -8.071 2.933 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -8.684 -9.795 2.683 1.00 0.00 H new ATOM 1663 N SER A 109 -5.392 -10.538 2.977 1.00 0.00 N ATOM 1664 CA SER A 109 -5.089 -11.468 1.962 1.00 0.00 C ATOM 1665 C SER A 109 -5.029 -12.874 2.531 1.00 0.00 C ATOM 1666 O SER A 109 -6.066 -13.569 2.532 1.00 0.00 O ATOM 1667 CB SER A 109 -3.758 -11.054 1.316 1.00 0.00 C ATOM 1668 OG SER A 109 -2.685 -11.067 2.270 1.00 0.00 O ATOM 1669 OXT SER A 109 -3.962 -13.272 3.032 1.00 0.00 O ATOM 0 H SER A 109 -5.019 -10.753 3.902 1.00 0.00 H new ATOM 0 HA SER A 109 -5.869 -11.471 1.201 1.00 0.00 H new ATOM 0 HB2 SER A 109 -3.525 -11.731 0.495 1.00 0.00 H new ATOM 0 HB3 SER A 109 -3.854 -10.056 0.888 1.00 0.00 H new ATOM 0 HG SER A 109 -2.787 -11.838 2.867 1.00 0.00 H new TER 1675 SER A 109