USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 722 hydrogens (34 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 NoAdj-H: B 4 MLY H2 : B 4 MLY N : B 3 THR C :(H bumps) USER MOD NoAdj-H: B 4 MLY H : B 4 MLY N : B 3 THR C :(H bumps) USER MOD NoAdj-H: B 9 MLY H2 : B 9 MLY N : B 8 ARG C :(H bumps) USER MOD Set 1.1: A 8 HIS : no HD1:sc= -2.15 K(o=-2.2,f=-9.1!) USER MOD Set 1.2: A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc=-0.00953 USER MOD Single : A 25 LYS NZ :NH3+ -143:sc= -1.24 (180deg=-3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 154:sc= -3.86! (180deg=-5.82!) USER MOD Single : A 38 TYR OH : rot 165:sc= -0.426 USER MOD Single : A 41 LYS NZ :NH3+ 164:sc= -0.0557 (180deg=-0.356) USER MOD Single : A 43 LYS NZ :NH3+ 141:sc= -3.23! (180deg=-6.2!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -4.28! C(o=-4.3!,f=-4.9!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -3.72! K(o=-3.7!,f=-1) USER MOD Single : A 60 CYS SG : rot 180:sc= -0.188 USER MOD Single : A 69 GLN : amide:sc= -1.16! K(o=-1.2!,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.0448 X(o=-0.045,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -3.04! K(o=-3!,f=-0.22) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 13:sc= 0.734 USER MOD Single : B 1 ALA N :NH3+ -171:sc= 0 (180deg=-0.0671) USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD Single : B 5 GLN : amide:sc= -1.47 X(o=-1.5,f=-1.4) USER MOD Single : B 6 THR OG1 : rot 153:sc= 0.463 USER MOD Single : B 10 SER OG : rot -57:sc= 0.972 USER MOD Single : B 11 THR OG1 : rot -5:sc= -1.09 USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 8 -15.894 -5.877 15.610 1.00 0.00 N ATOM 2 CA HIS A 8 -15.458 -7.275 15.358 1.00 0.00 C ATOM 3 C HIS A 8 -16.653 -8.216 15.176 1.00 0.00 C ATOM 4 O HIS A 8 -17.356 -8.137 14.169 1.00 0.00 O ATOM 5 CB HIS A 8 -14.548 -7.726 16.511 1.00 0.00 C ATOM 6 CG HIS A 8 -15.032 -7.326 17.874 1.00 0.00 C ATOM 7 ND1 HIS A 8 -16.200 -7.801 18.437 1.00 0.00 N ATOM 8 CD2 HIS A 8 -14.489 -6.492 18.793 1.00 0.00 C ATOM 9 CE1 HIS A 8 -16.354 -7.275 19.639 1.00 0.00 C ATOM 10 NE2 HIS A 8 -15.330 -6.478 19.879 1.00 0.00 N ATOM 0 HA HIS A 8 -14.897 -7.313 14.424 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -14.450 -8.811 16.477 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -13.552 -7.311 16.356 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -13.566 -5.940 18.691 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -17.178 -7.465 20.311 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -15.186 -5.939 20.733 1.00 0.00 H new ATOM 21 N MET A 9 -16.868 -9.111 16.139 1.00 0.00 N ATOM 22 CA MET A 9 -17.968 -10.071 16.073 1.00 0.00 C ATOM 23 C MET A 9 -17.743 -11.067 14.937 1.00 0.00 C ATOM 24 O MET A 9 -16.605 -11.430 14.639 1.00 0.00 O ATOM 25 CB MET A 9 -19.316 -9.360 15.890 1.00 0.00 C ATOM 26 CG MET A 9 -19.723 -8.477 17.060 1.00 0.00 C ATOM 27 SD MET A 9 -18.748 -6.965 17.174 1.00 0.00 S ATOM 28 CE MET A 9 -19.500 -6.184 18.599 1.00 0.00 C ATOM 0 H MET A 9 -16.292 -9.191 16.977 1.00 0.00 H new ATOM 0 HA MET A 9 -17.993 -10.612 17.019 1.00 0.00 H new ATOM 0 HB2 MET A 9 -19.272 -8.750 14.988 1.00 0.00 H new ATOM 0 HB3 MET A 9 -20.090 -10.110 15.730 1.00 0.00 H new ATOM 0 HG2 MET A 9 -20.777 -8.217 16.962 1.00 0.00 H new ATOM 0 HG3 MET A 9 -19.619 -9.041 17.987 1.00 0.00 H new ATOM 0 HE1 MET A 9 -19.004 -5.234 18.797 1.00 0.00 H new ATOM 0 HE2 MET A 9 -20.557 -6.007 18.401 1.00 0.00 H new ATOM 0 HE3 MET A 9 -19.397 -6.835 19.467 1.00 0.00 H new ATOM 38 N VAL A 10 -18.831 -11.506 14.305 1.00 0.00 N ATOM 39 CA VAL A 10 -18.747 -12.462 13.202 1.00 0.00 C ATOM 40 C VAL A 10 -19.913 -12.288 12.232 1.00 0.00 C ATOM 41 O VAL A 10 -20.495 -13.267 11.764 1.00 0.00 O ATOM 42 CB VAL A 10 -18.747 -13.918 13.716 1.00 0.00 C ATOM 43 CG1 VAL A 10 -17.460 -14.231 14.465 1.00 0.00 C ATOM 44 CG2 VAL A 10 -19.958 -14.167 14.604 1.00 0.00 C ATOM 0 H VAL A 10 -19.780 -11.215 14.538 1.00 0.00 H new ATOM 0 HA VAL A 10 -17.808 -12.262 12.685 1.00 0.00 H new ATOM 0 HB VAL A 10 -18.805 -14.583 12.855 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -17.485 -15.262 14.817 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -16.609 -14.096 13.798 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -17.363 -13.559 15.318 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -19.944 -15.198 14.958 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -19.929 -13.489 15.457 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -20.870 -13.992 14.033 1.00 0.00 H new ATOM 54 N GLU A 11 -20.250 -11.038 11.932 1.00 0.00 N ATOM 55 CA GLU A 11 -21.347 -10.746 11.017 1.00 0.00 C ATOM 56 C GLU A 11 -21.057 -11.302 9.626 1.00 0.00 C ATOM 57 O GLU A 11 -20.073 -10.927 8.987 1.00 0.00 O ATOM 58 CB GLU A 11 -21.586 -9.235 10.939 1.00 0.00 C ATOM 59 CG GLU A 11 -22.751 -8.841 10.041 1.00 0.00 C ATOM 60 CD GLU A 11 -24.092 -9.333 10.558 1.00 0.00 C ATOM 61 OE1 GLU A 11 -24.121 -9.970 11.633 1.00 0.00 O ATOM 62 OE2 GLU A 11 -25.114 -9.076 9.888 1.00 0.00 O ATOM 0 H GLU A 11 -19.781 -10.214 12.308 1.00 0.00 H new ATOM 0 HA GLU A 11 -22.246 -11.228 11.400 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -21.769 -8.854 11.944 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -20.679 -8.752 10.575 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -22.780 -7.755 9.948 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -22.584 -9.242 9.041 1.00 0.00 H new ATOM 69 N GLU A 12 -21.923 -12.197 9.163 1.00 0.00 N ATOM 70 CA GLU A 12 -21.766 -12.808 7.849 1.00 0.00 C ATOM 71 C GLU A 12 -22.283 -11.879 6.749 1.00 0.00 C ATOM 72 O GLU A 12 -21.914 -10.705 6.701 1.00 0.00 O ATOM 73 CB GLU A 12 -22.490 -14.157 7.808 1.00 0.00 C ATOM 74 CG GLU A 12 -21.954 -15.163 8.814 1.00 0.00 C ATOM 75 CD GLU A 12 -22.669 -16.498 8.742 1.00 0.00 C ATOM 76 OE1 GLU A 12 -23.900 -16.525 8.952 1.00 0.00 O ATOM 77 OE2 GLU A 12 -21.998 -17.518 8.473 1.00 0.00 O ATOM 0 H GLU A 12 -22.743 -12.516 9.680 1.00 0.00 H new ATOM 0 HA GLU A 12 -20.704 -12.976 7.669 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -23.552 -13.997 7.997 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -22.404 -14.576 6.806 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -20.889 -15.315 8.638 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -22.055 -14.755 9.820 1.00 0.00 H new ATOM 84 N VAL A 13 -23.134 -12.412 5.869 1.00 0.00 N ATOM 85 CA VAL A 13 -23.700 -11.635 4.768 1.00 0.00 C ATOM 86 C VAL A 13 -22.630 -11.258 3.749 1.00 0.00 C ATOM 87 O VAL A 13 -21.575 -10.733 4.105 1.00 0.00 O ATOM 88 CB VAL A 13 -24.396 -10.354 5.277 1.00 0.00 C ATOM 89 CG1 VAL A 13 -25.030 -9.589 4.124 1.00 0.00 C ATOM 90 CG2 VAL A 13 -25.434 -10.699 6.334 1.00 0.00 C ATOM 0 H VAL A 13 -23.446 -13.383 5.900 1.00 0.00 H new ATOM 0 HA VAL A 13 -24.443 -12.270 4.285 1.00 0.00 H new ATOM 0 HB VAL A 13 -23.643 -9.711 5.733 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -25.514 -8.690 4.506 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -24.259 -9.308 3.406 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -25.771 -10.220 3.633 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -25.916 -9.786 6.683 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -26.184 -11.363 5.904 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -24.947 -11.196 7.173 1.00 0.00 H new ATOM 100 N LEU A 14 -22.918 -11.534 2.478 1.00 0.00 N ATOM 101 CA LEU A 14 -21.996 -11.236 1.382 1.00 0.00 C ATOM 102 C LEU A 14 -20.689 -12.009 1.544 1.00 0.00 C ATOM 103 O LEU A 14 -19.934 -11.788 2.490 1.00 0.00 O ATOM 104 CB LEU A 14 -21.720 -9.730 1.312 1.00 0.00 C ATOM 105 CG LEU A 14 -20.848 -9.277 0.137 1.00 0.00 C ATOM 106 CD1 LEU A 14 -21.489 -9.658 -1.190 1.00 0.00 C ATOM 107 CD2 LEU A 14 -20.611 -7.776 0.202 1.00 0.00 C ATOM 0 H LEU A 14 -23.792 -11.968 2.180 1.00 0.00 H new ATOM 0 HA LEU A 14 -22.464 -11.550 0.449 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -22.674 -9.205 1.259 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -21.238 -9.422 2.240 1.00 0.00 H new ATOM 0 HG LEU A 14 -19.886 -9.785 0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -20.852 -9.326 -2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -21.609 -10.740 -1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -22.465 -9.181 -1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -19.990 -7.469 -0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -21.567 -7.254 0.157 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -20.106 -7.527 1.135 1.00 0.00 H new ATOM 119 N GLU A 15 -20.433 -12.923 0.612 1.00 0.00 N ATOM 120 CA GLU A 15 -19.223 -13.740 0.647 1.00 0.00 C ATOM 121 C GLU A 15 -18.015 -12.977 0.102 1.00 0.00 C ATOM 122 O GLU A 15 -17.188 -13.536 -0.619 1.00 0.00 O ATOM 123 CB GLU A 15 -19.431 -15.042 -0.141 1.00 0.00 C ATOM 124 CG GLU A 15 -19.515 -14.874 -1.657 1.00 0.00 C ATOM 125 CD GLU A 15 -20.662 -13.989 -2.109 1.00 0.00 C ATOM 126 OE1 GLU A 15 -20.573 -12.756 -1.928 1.00 0.00 O ATOM 127 OE2 GLU A 15 -21.652 -14.530 -2.645 1.00 0.00 O ATOM 0 H GLU A 15 -21.048 -13.117 -0.178 1.00 0.00 H new ATOM 0 HA GLU A 15 -19.020 -13.986 1.689 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -18.611 -15.723 0.089 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -20.348 -15.517 0.208 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -18.578 -14.452 -2.020 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -19.622 -15.856 -2.117 1.00 0.00 H new ATOM 134 N GLU A 16 -17.911 -11.699 0.459 1.00 0.00 N ATOM 135 CA GLU A 16 -16.797 -10.870 0.008 1.00 0.00 C ATOM 136 C GLU A 16 -16.815 -9.507 0.694 1.00 0.00 C ATOM 137 O GLU A 16 -17.811 -8.787 0.641 1.00 0.00 O ATOM 138 CB GLU A 16 -16.857 -10.688 -1.511 1.00 0.00 C ATOM 139 CG GLU A 16 -15.698 -9.882 -2.078 1.00 0.00 C ATOM 140 CD GLU A 16 -15.764 -9.748 -3.587 1.00 0.00 C ATOM 141 OE1 GLU A 16 -16.716 -10.284 -4.191 1.00 0.00 O ATOM 142 OE2 GLU A 16 -14.861 -9.107 -4.165 1.00 0.00 O ATOM 0 H GLU A 16 -18.582 -11.217 1.057 1.00 0.00 H new ATOM 0 HA GLU A 16 -15.869 -11.376 0.274 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.871 -11.669 -1.985 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -17.793 -10.194 -1.772 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -15.697 -8.889 -1.628 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -14.758 -10.359 -1.800 1.00 0.00 H new ATOM 149 N GLU A 17 -15.698 -9.160 1.332 1.00 0.00 N ATOM 150 CA GLU A 17 -15.567 -7.884 2.032 1.00 0.00 C ATOM 151 C GLU A 17 -14.194 -7.773 2.689 1.00 0.00 C ATOM 152 O GLU A 17 -13.725 -8.718 3.323 1.00 0.00 O ATOM 153 CB GLU A 17 -16.664 -7.732 3.091 1.00 0.00 C ATOM 154 CG GLU A 17 -16.655 -8.829 4.143 1.00 0.00 C ATOM 155 CD GLU A 17 -17.762 -8.666 5.168 1.00 0.00 C ATOM 156 OE1 GLU A 17 -18.541 -7.696 5.055 1.00 0.00 O ATOM 157 OE2 GLU A 17 -17.850 -9.510 6.085 1.00 0.00 O ATOM 0 H GLU A 17 -14.867 -9.749 1.378 1.00 0.00 H new ATOM 0 HA GLU A 17 -15.674 -7.084 1.299 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -16.549 -6.767 3.584 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -17.635 -7.723 2.596 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -16.758 -9.797 3.653 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -15.691 -8.831 4.652 1.00 0.00 H new ATOM 164 N GLU A 18 -13.553 -6.617 2.530 1.00 0.00 N ATOM 165 CA GLU A 18 -12.233 -6.390 3.107 1.00 0.00 C ATOM 166 C GLU A 18 -11.249 -7.461 2.647 1.00 0.00 C ATOM 167 O GLU A 18 -10.528 -8.045 3.456 1.00 0.00 O ATOM 168 CB GLU A 18 -12.314 -6.376 4.629 1.00 0.00 C ATOM 169 CG GLU A 18 -13.192 -5.269 5.185 1.00 0.00 C ATOM 170 CD GLU A 18 -13.291 -5.311 6.699 1.00 0.00 C ATOM 171 OE1 GLU A 18 -13.777 -6.330 7.232 1.00 0.00 O ATOM 172 OE2 GLU A 18 -12.884 -4.325 7.348 1.00 0.00 O ATOM 0 H GLU A 18 -13.927 -5.825 2.007 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.875 -5.420 2.762 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.696 -7.337 4.972 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -11.309 -6.269 5.036 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.792 -4.303 4.877 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -14.191 -5.352 4.756 1.00 0.00 H new ATOM 179 N GLU A 19 -11.230 -7.722 1.344 1.00 0.00 N ATOM 180 CA GLU A 19 -10.340 -8.729 0.782 1.00 0.00 C ATOM 181 C GLU A 19 -8.887 -8.264 0.805 1.00 0.00 C ATOM 182 O GLU A 19 -8.568 -7.163 0.356 1.00 0.00 O ATOM 183 CB GLU A 19 -10.761 -9.071 -0.639 1.00 0.00 C ATOM 184 CG GLU A 19 -10.933 -7.845 -1.495 1.00 0.00 C ATOM 185 CD GLU A 19 -11.281 -8.168 -2.934 1.00 0.00 C ATOM 186 OE1 GLU A 19 -10.477 -8.855 -3.600 1.00 0.00 O ATOM 187 OE2 GLU A 19 -12.357 -7.734 -3.397 1.00 0.00 O ATOM 0 H GLU A 19 -11.820 -7.250 0.659 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.415 -9.623 1.401 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.014 -9.724 -1.090 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.698 -9.628 -0.614 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.718 -7.219 -1.069 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.013 -7.261 -1.472 1.00 0.00 H new ATOM 194 N GLU A 20 -8.009 -9.114 1.333 1.00 0.00 N ATOM 195 CA GLU A 20 -6.589 -8.796 1.415 1.00 0.00 C ATOM 196 C GLU A 20 -5.865 -9.189 0.131 1.00 0.00 C ATOM 197 O GLU A 20 -6.000 -10.315 -0.350 1.00 0.00 O ATOM 198 CB GLU A 20 -5.952 -9.506 2.611 1.00 0.00 C ATOM 199 CG GLU A 20 -6.528 -9.076 3.952 1.00 0.00 C ATOM 200 CD GLU A 20 -5.885 -9.792 5.123 1.00 0.00 C ATOM 201 OE1 GLU A 20 -4.995 -10.636 4.889 1.00 0.00 O ATOM 202 OE2 GLU A 20 -6.272 -9.508 6.277 1.00 0.00 O ATOM 0 H GLU A 20 -8.258 -10.028 1.710 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.493 -7.718 1.548 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.084 -10.582 2.497 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.879 -9.314 2.608 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.395 -8.001 4.072 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.601 -9.267 3.960 1.00 0.00 H new ATOM 209 N TYR A 21 -5.093 -8.255 -0.414 1.00 0.00 N ATOM 210 CA TYR A 21 -4.339 -8.497 -1.639 1.00 0.00 C ATOM 211 C TYR A 21 -2.889 -8.849 -1.325 1.00 0.00 C ATOM 212 O TYR A 21 -2.286 -8.270 -0.424 1.00 0.00 O ATOM 213 CB TYR A 21 -4.398 -7.270 -2.551 1.00 0.00 C ATOM 214 CG TYR A 21 -5.778 -6.989 -3.100 1.00 0.00 C ATOM 215 CD1 TYR A 21 -6.834 -6.669 -2.256 1.00 0.00 C ATOM 216 CD2 TYR A 21 -6.028 -7.055 -4.465 1.00 0.00 C ATOM 217 CE1 TYR A 21 -8.097 -6.423 -2.756 1.00 0.00 C ATOM 218 CE2 TYR A 21 -7.289 -6.809 -4.972 1.00 0.00 C ATOM 219 CZ TYR A 21 -8.320 -6.493 -4.114 1.00 0.00 C ATOM 220 OH TYR A 21 -9.577 -6.249 -4.615 1.00 0.00 O ATOM 0 H TYR A 21 -4.973 -7.320 -0.025 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.793 -9.343 -2.155 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -4.053 -6.398 -1.995 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -3.708 -7.412 -3.382 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.664 -6.612 -1.191 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.223 -7.303 -5.141 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -8.907 -6.177 -2.086 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.466 -6.864 -6.036 1.00 0.00 H new ATOM 0 HH TYR A 21 -9.563 -6.339 -5.591 1.00 0.00 H new ATOM 230 N VAL A 22 -2.339 -9.806 -2.068 1.00 0.00 N ATOM 231 CA VAL A 22 -0.961 -10.238 -1.859 1.00 0.00 C ATOM 232 C VAL A 22 0.014 -9.079 -1.999 1.00 0.00 C ATOM 233 O VAL A 22 0.892 -8.893 -1.157 1.00 0.00 O ATOM 234 CB VAL A 22 -0.563 -11.351 -2.848 1.00 0.00 C ATOM 235 CG1 VAL A 22 0.868 -11.805 -2.600 1.00 0.00 C ATOM 236 CG2 VAL A 22 -1.525 -12.524 -2.744 1.00 0.00 C ATOM 0 H VAL A 22 -2.826 -10.296 -2.819 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.909 -10.627 -0.842 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.620 -10.948 -3.859 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.128 -12.591 -3.309 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.545 -10.961 -2.729 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.957 -12.189 -1.584 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.229 -13.301 -3.449 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.501 -12.925 -1.731 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.535 -12.188 -2.977 1.00 0.00 H new ATOM 246 N VAL A 23 -0.148 -8.305 -3.066 1.00 0.00 N ATOM 247 CA VAL A 23 0.714 -7.156 -3.327 1.00 0.00 C ATOM 248 C VAL A 23 2.151 -7.596 -3.598 1.00 0.00 C ATOM 249 O VAL A 23 2.741 -8.343 -2.817 1.00 0.00 O ATOM 250 CB VAL A 23 0.709 -6.173 -2.142 1.00 0.00 C ATOM 251 CG1 VAL A 23 1.415 -4.876 -2.510 1.00 0.00 C ATOM 252 CG2 VAL A 23 -0.713 -5.911 -1.675 1.00 0.00 C ATOM 0 H VAL A 23 -0.872 -8.453 -3.769 1.00 0.00 H new ATOM 0 HA VAL A 23 0.316 -6.656 -4.210 1.00 0.00 H new ATOM 0 HB VAL A 23 1.258 -6.626 -1.317 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.398 -4.198 -1.657 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.448 -5.089 -2.784 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.905 -4.411 -3.353 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.698 -5.214 -0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.292 -5.482 -2.493 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.171 -6.848 -1.359 1.00 0.00 H new ATOM 262 N GLU A 24 2.709 -7.126 -4.707 1.00 0.00 N ATOM 263 CA GLU A 24 4.078 -7.469 -5.074 1.00 0.00 C ATOM 264 C GLU A 24 5.079 -6.761 -4.166 1.00 0.00 C ATOM 265 O GLU A 24 5.961 -7.395 -3.585 1.00 0.00 O ATOM 266 CB GLU A 24 4.342 -7.093 -6.534 1.00 0.00 C ATOM 267 CG GLU A 24 5.754 -7.409 -7.002 1.00 0.00 C ATOM 268 CD GLU A 24 5.993 -7.017 -8.447 1.00 0.00 C ATOM 269 OE1 GLU A 24 5.054 -6.496 -9.086 1.00 0.00 O ATOM 270 OE2 GLU A 24 7.120 -7.232 -8.942 1.00 0.00 O ATOM 0 H GLU A 24 2.236 -6.508 -5.367 1.00 0.00 H new ATOM 0 HA GLU A 24 4.203 -8.545 -4.952 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.631 -7.621 -7.170 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.156 -6.027 -6.665 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.469 -6.887 -6.365 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.941 -8.476 -6.884 1.00 0.00 H new ATOM 277 N LYS A 25 4.930 -5.443 -4.053 1.00 0.00 N ATOM 278 CA LYS A 25 5.814 -4.628 -3.225 1.00 0.00 C ATOM 279 C LYS A 25 5.419 -3.159 -3.318 1.00 0.00 C ATOM 280 O LYS A 25 5.083 -2.671 -4.397 1.00 0.00 O ATOM 281 CB LYS A 25 7.267 -4.797 -3.674 1.00 0.00 C ATOM 282 CG LYS A 25 8.261 -3.992 -2.852 1.00 0.00 C ATOM 283 CD LYS A 25 9.686 -4.213 -3.334 1.00 0.00 C ATOM 284 CE LYS A 25 10.680 -3.391 -2.530 1.00 0.00 C ATOM 285 NZ LYS A 25 10.416 -1.930 -2.645 1.00 0.00 N ATOM 0 H LYS A 25 4.199 -4.914 -4.529 1.00 0.00 H new ATOM 0 HA LYS A 25 5.719 -4.959 -2.191 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.534 -5.852 -3.618 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.351 -4.502 -4.720 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.014 -2.932 -2.915 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.182 -4.276 -1.803 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.938 -5.270 -3.254 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.760 -3.946 -4.388 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.632 -3.687 -1.482 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.691 -3.605 -2.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.319 -1.415 -2.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.885 -1.741 -3.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.859 -1.612 -1.826 1.00 0.00 H new ATOM 299 N VAL A 26 5.454 -2.454 -2.190 1.00 0.00 N ATOM 300 CA VAL A 26 5.090 -1.043 -2.180 1.00 0.00 C ATOM 301 C VAL A 26 6.029 -0.260 -3.098 1.00 0.00 C ATOM 302 O VAL A 26 7.251 -0.407 -3.026 1.00 0.00 O ATOM 303 CB VAL A 26 5.100 -0.443 -0.746 1.00 0.00 C ATOM 304 CG1 VAL A 26 4.876 -1.523 0.299 1.00 0.00 C ATOM 305 CG2 VAL A 26 6.369 0.326 -0.453 1.00 0.00 C ATOM 0 H VAL A 26 5.727 -2.832 -1.283 1.00 0.00 H new ATOM 0 HA VAL A 26 4.068 -0.961 -2.550 1.00 0.00 H new ATOM 0 HB VAL A 26 4.274 0.266 -0.697 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.888 -1.076 1.293 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.911 -2.001 0.127 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.668 -2.268 0.227 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.327 0.725 0.560 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.227 -0.339 -0.546 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.469 1.147 -1.162 1.00 0.00 H new ATOM 315 N LEU A 27 5.455 0.547 -3.983 1.00 0.00 N ATOM 316 CA LEU A 27 6.253 1.321 -4.926 1.00 0.00 C ATOM 317 C LEU A 27 6.819 2.583 -4.286 1.00 0.00 C ATOM 318 O LEU A 27 8.031 2.797 -4.305 1.00 0.00 O ATOM 319 CB LEU A 27 5.427 1.685 -6.159 1.00 0.00 C ATOM 320 CG LEU A 27 4.948 0.497 -6.998 1.00 0.00 C ATOM 321 CD1 LEU A 27 4.090 0.976 -8.158 1.00 0.00 C ATOM 322 CD2 LEU A 27 6.134 -0.309 -7.510 1.00 0.00 C ATOM 0 H LEU A 27 4.447 0.682 -4.067 1.00 0.00 H new ATOM 0 HA LEU A 27 7.092 0.695 -5.230 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.556 2.256 -5.837 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.022 2.341 -6.794 1.00 0.00 H new ATOM 0 HG LEU A 27 4.341 -0.149 -6.364 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.758 0.119 -8.744 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.221 1.510 -7.772 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.674 1.644 -8.791 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.774 -1.149 -8.104 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.767 0.328 -8.128 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.711 -0.684 -6.665 1.00 0.00 H new ATOM 334 N ASP A 28 5.951 3.431 -3.730 1.00 0.00 N ATOM 335 CA ASP A 28 6.428 4.671 -3.111 1.00 0.00 C ATOM 336 C ASP A 28 5.732 4.981 -1.784 1.00 0.00 C ATOM 337 O ASP A 28 5.071 4.126 -1.195 1.00 0.00 O ATOM 338 CB ASP A 28 6.250 5.845 -4.074 1.00 0.00 C ATOM 339 CG ASP A 28 7.085 5.705 -5.332 1.00 0.00 C ATOM 340 OD1 ASP A 28 6.854 4.745 -6.096 1.00 0.00 O ATOM 341 OD2 ASP A 28 7.970 6.558 -5.554 1.00 0.00 O ATOM 0 H ASP A 28 4.941 3.289 -3.695 1.00 0.00 H new ATOM 0 HA ASP A 28 7.486 4.524 -2.893 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.198 5.927 -4.349 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.520 6.770 -3.565 1.00 0.00 H new ATOM 346 N ARG A 29 5.907 6.222 -1.323 1.00 0.00 N ATOM 347 CA ARG A 29 5.326 6.693 -0.066 1.00 0.00 C ATOM 348 C ARG A 29 5.270 8.221 -0.036 1.00 0.00 C ATOM 349 O ARG A 29 6.203 8.891 -0.476 1.00 0.00 O ATOM 350 CB ARG A 29 6.159 6.203 1.122 1.00 0.00 C ATOM 351 CG ARG A 29 5.782 6.866 2.439 1.00 0.00 C ATOM 352 CD ARG A 29 6.819 6.604 3.517 1.00 0.00 C ATOM 353 NE ARG A 29 8.141 7.084 3.130 1.00 0.00 N ATOM 354 CZ ARG A 29 9.216 7.007 3.910 1.00 0.00 C ATOM 355 NH1 ARG A 29 9.126 6.467 5.119 1.00 0.00 N ATOM 356 NH2 ARG A 29 10.381 7.471 3.483 1.00 0.00 N ATOM 0 H ARG A 29 6.456 6.928 -1.812 1.00 0.00 H new ATOM 0 HA ARG A 29 4.314 6.294 0.006 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.039 5.124 1.220 1.00 0.00 H new ATOM 0 HB3 ARG A 29 7.213 6.390 0.919 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.677 7.940 2.289 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.812 6.494 2.769 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.512 7.092 4.442 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.867 5.535 3.722 1.00 0.00 H new ATOM 0 HE ARG A 29 8.248 7.504 2.206 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.231 6.110 5.453 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.952 6.409 5.715 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.455 7.888 2.555 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.204 7.411 4.082 1.00 0.00 H new ATOM 370 N ARG A 30 4.178 8.764 0.497 1.00 0.00 N ATOM 371 CA ARG A 30 4.018 10.215 0.594 1.00 0.00 C ATOM 372 C ARG A 30 3.049 10.584 1.714 1.00 0.00 C ATOM 373 O ARG A 30 2.175 9.798 2.074 1.00 0.00 O ATOM 374 CB ARG A 30 3.534 10.803 -0.735 1.00 0.00 C ATOM 375 CG ARG A 30 2.127 10.381 -1.119 1.00 0.00 C ATOM 376 CD ARG A 30 1.696 11.010 -2.434 1.00 0.00 C ATOM 377 NE ARG A 30 1.721 12.469 -2.377 1.00 0.00 N ATOM 378 CZ ARG A 30 1.374 13.255 -3.391 1.00 0.00 C ATOM 379 NH1 ARG A 30 0.971 12.726 -4.539 1.00 0.00 N ATOM 380 NH2 ARG A 30 1.429 14.574 -3.259 1.00 0.00 N ATOM 0 H ARG A 30 3.394 8.226 0.867 1.00 0.00 H new ATOM 0 HA ARG A 30 4.995 10.640 0.826 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.573 11.891 -0.675 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.221 10.502 -1.526 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.082 9.295 -1.202 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.432 10.670 -0.331 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.354 10.667 -3.233 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.690 10.674 -2.684 1.00 0.00 H new ATOM 0 HE ARG A 30 2.022 12.911 -1.508 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.927 11.713 -4.646 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.706 13.333 -5.315 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.738 14.986 -2.379 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.162 15.176 -4.038 1.00 0.00 H new ATOM 394 N VAL A 31 3.206 11.787 2.260 1.00 0.00 N ATOM 395 CA VAL A 31 2.338 12.260 3.335 1.00 0.00 C ATOM 396 C VAL A 31 1.623 13.547 2.940 1.00 0.00 C ATOM 397 O VAL A 31 2.229 14.461 2.381 1.00 0.00 O ATOM 398 CB VAL A 31 3.127 12.508 4.638 1.00 0.00 C ATOM 399 CG1 VAL A 31 2.224 13.104 5.710 1.00 0.00 C ATOM 400 CG2 VAL A 31 3.758 11.219 5.132 1.00 0.00 C ATOM 0 H VAL A 31 3.926 12.452 1.976 1.00 0.00 H new ATOM 0 HA VAL A 31 1.603 11.474 3.509 1.00 0.00 H new ATOM 0 HB VAL A 31 3.922 13.222 4.424 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.801 13.271 6.620 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.819 14.053 5.358 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.405 12.416 5.920 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.310 11.413 6.051 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.978 10.483 5.326 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.440 10.834 4.374 1.00 0.00 H new ATOM 410 N VAL A 32 0.331 13.611 3.246 1.00 0.00 N ATOM 411 CA VAL A 32 -0.473 14.786 2.938 1.00 0.00 C ATOM 412 C VAL A 32 -1.232 15.251 4.179 1.00 0.00 C ATOM 413 O VAL A 32 -1.912 14.459 4.828 1.00 0.00 O ATOM 414 CB VAL A 32 -1.473 14.505 1.795 1.00 0.00 C ATOM 415 CG1 VAL A 32 -0.734 14.101 0.529 1.00 0.00 C ATOM 416 CG2 VAL A 32 -2.469 13.427 2.199 1.00 0.00 C ATOM 0 H VAL A 32 -0.182 12.860 3.708 1.00 0.00 H new ATOM 0 HA VAL A 32 0.208 15.572 2.612 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.028 15.422 1.595 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.454 13.907 -0.266 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.066 14.907 0.225 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.152 13.199 0.720 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.163 13.247 1.378 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.934 12.506 2.431 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.024 13.755 3.078 1.00 0.00 H new ATOM 426 N LYS A 33 -1.096 16.535 4.508 1.00 0.00 N ATOM 427 CA LYS A 33 -1.751 17.118 5.681 1.00 0.00 C ATOM 428 C LYS A 33 -1.666 16.182 6.888 1.00 0.00 C ATOM 429 O LYS A 33 -2.610 16.073 7.672 1.00 0.00 O ATOM 430 CB LYS A 33 -3.217 17.469 5.379 1.00 0.00 C ATOM 431 CG LYS A 33 -4.104 16.265 5.092 1.00 0.00 C ATOM 432 CD LYS A 33 -5.547 16.677 4.831 1.00 0.00 C ATOM 433 CE LYS A 33 -6.167 17.354 6.046 1.00 0.00 C ATOM 434 NZ LYS A 33 -7.584 17.740 5.804 1.00 0.00 N ATOM 0 H LYS A 33 -0.533 17.197 3.974 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.220 18.038 5.926 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.630 18.015 6.227 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.248 18.141 4.521 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.717 15.726 4.227 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.069 15.578 5.937 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.584 17.355 3.978 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.134 15.798 4.565 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.115 16.681 6.902 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.588 18.241 6.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.969 18.198 6.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.632 18.402 5.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.143 16.891 5.585 1.00 0.00 H new ATOM 448 N GLY A 34 -0.525 15.510 7.031 1.00 0.00 N ATOM 449 CA GLY A 34 -0.334 14.594 8.140 1.00 0.00 C ATOM 450 C GLY A 34 -1.110 13.302 7.973 1.00 0.00 C ATOM 451 O GLY A 34 -1.633 12.753 8.944 1.00 0.00 O ATOM 0 H GLY A 34 0.270 15.585 6.397 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.727 14.365 8.238 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.642 15.081 9.065 1.00 0.00 H new ATOM 455 N LYS A 35 -1.180 12.812 6.739 1.00 0.00 N ATOM 456 CA LYS A 35 -1.883 11.581 6.437 1.00 0.00 C ATOM 457 C LYS A 35 -0.945 10.575 5.787 1.00 0.00 C ATOM 458 O LYS A 35 -0.103 10.939 4.967 1.00 0.00 O ATOM 459 CB LYS A 35 -3.061 11.860 5.513 1.00 0.00 C ATOM 460 CG LYS A 35 -4.193 12.631 6.173 1.00 0.00 C ATOM 461 CD LYS A 35 -4.723 11.927 7.416 1.00 0.00 C ATOM 462 CE LYS A 35 -5.402 10.603 7.084 1.00 0.00 C ATOM 463 NZ LYS A 35 -4.432 9.571 6.620 1.00 0.00 N ATOM 0 H LYS A 35 -0.752 13.258 5.928 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.254 11.161 7.372 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.707 12.422 4.649 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.449 10.913 5.139 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.842 13.627 6.444 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.005 12.763 5.458 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.900 11.748 8.108 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.432 12.579 7.926 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.927 10.235 7.966 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.153 10.766 6.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.810 8.623 6.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.281 9.672 5.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.527 9.697 7.117 1.00 0.00 H new ATOM 477 N VAL A 36 -1.090 9.313 6.164 1.00 0.00 N ATOM 478 CA VAL A 36 -0.246 8.257 5.621 1.00 0.00 C ATOM 479 C VAL A 36 -0.878 7.599 4.396 1.00 0.00 C ATOM 480 O VAL A 36 -2.061 7.265 4.395 1.00 0.00 O ATOM 481 CB VAL A 36 0.047 7.169 6.671 1.00 0.00 C ATOM 482 CG1 VAL A 36 0.986 6.116 6.103 1.00 0.00 C ATOM 483 CG2 VAL A 36 0.632 7.778 7.935 1.00 0.00 C ATOM 0 H VAL A 36 -1.782 8.995 6.842 1.00 0.00 H new ATOM 0 HA VAL A 36 0.688 8.737 5.327 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.896 6.688 6.931 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.181 5.356 6.860 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.526 5.650 5.231 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.925 6.586 5.810 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.830 6.989 8.661 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.563 8.292 7.694 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.077 8.490 8.357 1.00 0.00 H new ATOM 493 N GLU A 37 -0.062 7.403 3.366 1.00 0.00 N ATOM 494 CA GLU A 37 -0.498 6.757 2.132 1.00 0.00 C ATOM 495 C GLU A 37 0.707 6.117 1.447 1.00 0.00 C ATOM 496 O GLU A 37 1.773 6.727 1.363 1.00 0.00 O ATOM 497 CB GLU A 37 -1.187 7.756 1.199 1.00 0.00 C ATOM 498 CG GLU A 37 -0.292 8.895 0.749 1.00 0.00 C ATOM 499 CD GLU A 37 -1.015 9.882 -0.146 1.00 0.00 C ATOM 500 OE1 GLU A 37 -1.497 9.467 -1.220 1.00 0.00 O ATOM 501 OE2 GLU A 37 -1.098 11.071 0.228 1.00 0.00 O ATOM 0 H GLU A 37 0.918 7.686 3.362 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.227 5.984 2.375 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.552 7.225 0.320 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.058 8.170 1.706 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.093 9.418 1.624 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.568 8.489 0.216 1.00 0.00 H new ATOM 508 N TYR A 38 0.547 4.885 0.975 1.00 0.00 N ATOM 509 CA TYR A 38 1.648 4.180 0.324 1.00 0.00 C ATOM 510 C TYR A 38 1.267 3.639 -1.042 1.00 0.00 C ATOM 511 O TYR A 38 0.216 3.024 -1.215 1.00 0.00 O ATOM 512 CB TYR A 38 2.138 3.020 1.190 1.00 0.00 C ATOM 513 CG TYR A 38 3.052 3.436 2.315 1.00 0.00 C ATOM 514 CD1 TYR A 38 2.570 4.148 3.402 1.00 0.00 C ATOM 515 CD2 TYR A 38 4.403 3.118 2.282 1.00 0.00 C ATOM 516 CE1 TYR A 38 3.410 4.531 4.429 1.00 0.00 C ATOM 517 CE2 TYR A 38 5.249 3.497 3.304 1.00 0.00 C ATOM 518 CZ TYR A 38 4.747 4.203 4.377 1.00 0.00 C ATOM 519 OH TYR A 38 5.585 4.582 5.399 1.00 0.00 O ATOM 0 H TYR A 38 -0.324 4.358 1.029 1.00 0.00 H new ATOM 0 HA TYR A 38 2.443 4.915 0.193 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.275 2.504 1.609 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.661 2.304 0.557 1.00 0.00 H new ATOM 0 HD1 TYR A 38 1.522 4.407 3.446 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.798 2.565 1.443 1.00 0.00 H new ATOM 0 HE1 TYR A 38 3.020 5.086 5.270 1.00 0.00 H new ATOM 0 HE2 TYR A 38 6.298 3.242 3.264 1.00 0.00 H new ATOM 0 HH TYR A 38 6.425 4.081 5.336 1.00 0.00 H new ATOM 529 N LEU A 39 2.163 3.843 -1.998 1.00 0.00 N ATOM 530 CA LEU A 39 1.967 3.349 -3.347 1.00 0.00 C ATOM 531 C LEU A 39 2.218 1.843 -3.364 1.00 0.00 C ATOM 532 O LEU A 39 3.144 1.363 -2.711 1.00 0.00 O ATOM 533 CB LEU A 39 2.903 4.082 -4.313 1.00 0.00 C ATOM 534 CG LEU A 39 2.788 3.666 -5.777 1.00 0.00 C ATOM 535 CD1 LEU A 39 1.337 3.601 -6.188 1.00 0.00 C ATOM 536 CD2 LEU A 39 3.549 4.630 -6.667 1.00 0.00 C ATOM 0 H LEU A 39 3.037 4.351 -1.859 1.00 0.00 H new ATOM 0 HA LEU A 39 0.943 3.537 -3.671 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.707 5.152 -4.240 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.931 3.923 -3.987 1.00 0.00 H new ATOM 0 HG LEU A 39 3.228 2.675 -5.892 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.268 3.303 -7.234 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.816 2.872 -5.568 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.878 4.581 -6.059 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.455 4.317 -7.707 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.138 5.633 -6.552 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.601 4.634 -6.383 1.00 0.00 H new ATOM 548 N LEU A 40 1.376 1.093 -4.071 1.00 0.00 N ATOM 549 CA LEU A 40 1.520 -0.361 -4.104 1.00 0.00 C ATOM 550 C LEU A 40 1.333 -0.935 -5.506 1.00 0.00 C ATOM 551 O LEU A 40 0.369 -0.615 -6.198 1.00 0.00 O ATOM 552 CB LEU A 40 0.505 -0.990 -3.146 1.00 0.00 C ATOM 553 CG LEU A 40 0.681 -0.589 -1.679 1.00 0.00 C ATOM 554 CD1 LEU A 40 -0.486 -1.060 -0.841 1.00 0.00 C ATOM 555 CD2 LEU A 40 1.965 -1.163 -1.125 1.00 0.00 C ATOM 0 H LEU A 40 0.599 1.460 -4.621 1.00 0.00 H new ATOM 0 HA LEU A 40 2.537 -0.600 -3.793 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.499 -0.712 -3.467 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.576 -2.075 -3.224 1.00 0.00 H new ATOM 0 HG LEU A 40 0.724 0.499 -1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.333 -0.761 0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.407 -0.613 -1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.560 -2.146 -0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.075 -0.868 -0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.937 -2.250 -1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.810 -0.785 -1.700 1.00 0.00 H new ATOM 567 N LYS A 41 2.263 -1.804 -5.900 1.00 0.00 N ATOM 568 CA LYS A 41 2.214 -2.456 -7.206 1.00 0.00 C ATOM 569 C LYS A 41 1.355 -3.717 -7.137 1.00 0.00 C ATOM 570 O LYS A 41 1.875 -4.833 -7.084 1.00 0.00 O ATOM 571 CB LYS A 41 3.630 -2.807 -7.676 1.00 0.00 C ATOM 572 CG LYS A 41 3.676 -3.480 -9.040 1.00 0.00 C ATOM 573 CD LYS A 41 3.181 -2.555 -10.140 1.00 0.00 C ATOM 574 CE LYS A 41 3.185 -3.248 -11.493 1.00 0.00 C ATOM 575 NZ LYS A 41 2.323 -4.462 -11.496 1.00 0.00 N ATOM 0 H LYS A 41 3.064 -2.073 -5.329 1.00 0.00 H new ATOM 0 HA LYS A 41 1.767 -1.767 -7.923 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.227 -1.896 -7.711 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.094 -3.465 -6.941 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.698 -3.791 -9.258 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.065 -4.383 -9.021 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.172 -2.217 -9.906 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.813 -1.668 -10.182 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.837 -2.554 -12.258 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.206 -3.526 -11.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.132 -4.750 -12.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.809 -5.234 -10.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.425 -4.251 -11.016 1.00 0.00 H new ATOM 589 N TRP A 42 0.038 -3.532 -7.115 1.00 0.00 N ATOM 590 CA TRP A 42 -0.894 -4.652 -7.029 1.00 0.00 C ATOM 591 C TRP A 42 -0.652 -5.658 -8.150 1.00 0.00 C ATOM 592 O TRP A 42 -0.538 -5.288 -9.319 1.00 0.00 O ATOM 593 CB TRP A 42 -2.335 -4.142 -7.075 1.00 0.00 C ATOM 594 CG TRP A 42 -2.571 -2.990 -6.148 1.00 0.00 C ATOM 595 CD1 TRP A 42 -2.495 -1.662 -6.457 1.00 0.00 C ATOM 596 CD2 TRP A 42 -2.885 -3.062 -4.754 1.00 0.00 C ATOM 597 NE1 TRP A 42 -2.758 -0.904 -5.343 1.00 0.00 N ATOM 598 CE2 TRP A 42 -2.999 -1.739 -4.284 1.00 0.00 C ATOM 599 CE3 TRP A 42 -3.088 -4.115 -3.858 1.00 0.00 C ATOM 600 CZ2 TRP A 42 -3.303 -1.445 -2.959 1.00 0.00 C ATOM 601 CZ3 TRP A 42 -3.390 -3.821 -2.542 1.00 0.00 C ATOM 602 CH2 TRP A 42 -3.496 -2.496 -2.103 1.00 0.00 C ATOM 0 H TRP A 42 -0.408 -2.616 -7.156 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.727 -5.161 -6.080 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -2.576 -3.838 -8.094 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -3.012 -4.956 -6.816 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -2.262 -1.266 -7.434 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.772 0.115 -5.309 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.010 -5.140 -4.188 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.384 -0.424 -2.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -3.547 -4.627 -1.840 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -3.735 -2.299 -1.068 1.00 0.00 H new ATOM 613 N LYS A 43 -0.569 -6.933 -7.780 1.00 0.00 N ATOM 614 CA LYS A 43 -0.330 -8.001 -8.743 1.00 0.00 C ATOM 615 C LYS A 43 -1.490 -8.141 -9.717 1.00 0.00 C ATOM 616 O LYS A 43 -2.656 -8.048 -9.331 1.00 0.00 O ATOM 617 CB LYS A 43 -0.089 -9.330 -8.018 1.00 0.00 C ATOM 618 CG LYS A 43 -1.268 -9.788 -7.172 1.00 0.00 C ATOM 619 CD LYS A 43 -0.986 -11.105 -6.461 1.00 0.00 C ATOM 620 CE LYS A 43 -0.907 -12.278 -7.431 1.00 0.00 C ATOM 621 NZ LYS A 43 0.277 -12.192 -8.330 1.00 0.00 N ATOM 0 H LYS A 43 -0.664 -7.251 -6.816 1.00 0.00 H new ATOM 0 HA LYS A 43 0.561 -7.739 -9.314 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.138 -10.100 -8.755 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.789 -9.231 -7.379 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.503 -9.021 -6.434 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.147 -9.900 -7.807 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.048 -11.026 -5.912 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.769 -11.295 -5.727 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.865 -13.210 -6.867 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.815 -12.310 -8.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.681 -13.141 -8.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.014 -11.806 -9.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.992 -11.569 -7.904 1.00 0.00 H new ATOM 635 N GLY A 44 -1.158 -8.361 -10.987 1.00 0.00 N ATOM 636 CA GLY A 44 -2.176 -8.504 -12.008 1.00 0.00 C ATOM 637 C GLY A 44 -2.736 -7.168 -12.447 1.00 0.00 C ATOM 638 O GLY A 44 -2.983 -6.951 -13.634 1.00 0.00 O ATOM 0 H GLY A 44 -0.199 -8.443 -11.325 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.754 -9.020 -12.870 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -2.985 -9.128 -11.628 1.00 0.00 H new ATOM 642 N PHE A 45 -2.939 -6.270 -11.487 1.00 0.00 N ATOM 643 CA PHE A 45 -3.475 -4.949 -11.778 1.00 0.00 C ATOM 644 C PHE A 45 -2.445 -4.070 -12.478 1.00 0.00 C ATOM 645 O PHE A 45 -1.272 -4.048 -12.105 1.00 0.00 O ATOM 646 CB PHE A 45 -3.963 -4.269 -10.495 1.00 0.00 C ATOM 647 CG PHE A 45 -5.193 -4.903 -9.901 1.00 0.00 C ATOM 648 CD1 PHE A 45 -5.196 -6.240 -9.532 1.00 0.00 C ATOM 649 CD2 PHE A 45 -6.348 -4.160 -9.718 1.00 0.00 C ATOM 650 CE1 PHE A 45 -6.328 -6.821 -8.991 1.00 0.00 C ATOM 651 CE2 PHE A 45 -7.482 -4.735 -9.178 1.00 0.00 C ATOM 652 CZ PHE A 45 -7.472 -6.067 -8.814 1.00 0.00 C ATOM 0 H PHE A 45 -2.739 -6.436 -10.501 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.321 -5.080 -12.452 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.162 -4.290 -9.756 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.173 -3.221 -10.708 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.304 -6.834 -9.669 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.362 -3.118 -10.001 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.318 -7.863 -8.707 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -8.375 -4.144 -9.041 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.357 -6.519 -8.391 1.00 0.00 H new ATOM 662 N SER A 46 -2.899 -3.344 -13.496 1.00 0.00 N ATOM 663 CA SER A 46 -2.030 -2.454 -14.259 1.00 0.00 C ATOM 664 C SER A 46 -1.466 -1.349 -13.372 1.00 0.00 C ATOM 665 O SER A 46 -2.038 -1.025 -12.330 1.00 0.00 O ATOM 666 CB SER A 46 -2.796 -1.839 -15.432 1.00 0.00 C ATOM 667 OG SER A 46 -3.261 -2.841 -16.319 1.00 0.00 O ATOM 0 H SER A 46 -3.869 -3.355 -13.812 1.00 0.00 H new ATOM 0 HA SER A 46 -1.199 -3.045 -14.645 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.640 -1.261 -15.056 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.149 -1.145 -15.969 1.00 0.00 H new ATOM 0 HG SER A 46 -3.749 -2.422 -17.059 1.00 0.00 H new ATOM 673 N ASP A 47 -0.340 -0.777 -13.790 1.00 0.00 N ATOM 674 CA ASP A 47 0.305 0.291 -13.032 1.00 0.00 C ATOM 675 C ASP A 47 -0.676 1.426 -12.747 1.00 0.00 C ATOM 676 O ASP A 47 -0.656 2.023 -11.671 1.00 0.00 O ATOM 677 CB ASP A 47 1.530 0.820 -13.788 1.00 0.00 C ATOM 678 CG ASP A 47 1.189 1.340 -15.172 1.00 0.00 C ATOM 679 OD1 ASP A 47 0.455 2.345 -15.267 1.00 0.00 O ATOM 680 OD2 ASP A 47 1.660 0.741 -16.162 1.00 0.00 O ATOM 0 H ASP A 47 0.145 -1.035 -14.650 1.00 0.00 H new ATOM 0 HA ASP A 47 0.635 -0.121 -12.078 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.991 1.619 -13.208 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.269 0.023 -13.876 1.00 0.00 H new ATOM 685 N GLU A 48 -1.539 1.717 -13.715 1.00 0.00 N ATOM 686 CA GLU A 48 -2.529 2.772 -13.561 1.00 0.00 C ATOM 687 C GLU A 48 -3.473 2.455 -12.404 1.00 0.00 C ATOM 688 O GLU A 48 -3.903 3.347 -11.674 1.00 0.00 O ATOM 689 CB GLU A 48 -3.320 2.938 -14.858 1.00 0.00 C ATOM 690 CG GLU A 48 -2.458 3.314 -16.052 1.00 0.00 C ATOM 691 CD GLU A 48 -3.258 3.447 -17.332 1.00 0.00 C ATOM 692 OE1 GLU A 48 -3.886 2.450 -17.748 1.00 0.00 O ATOM 693 OE2 GLU A 48 -3.259 4.550 -17.920 1.00 0.00 O ATOM 0 H GLU A 48 -1.571 1.236 -14.614 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.013 3.706 -13.338 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.843 2.007 -15.077 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.081 3.705 -14.714 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.950 4.256 -15.846 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.684 2.558 -16.189 1.00 0.00 H new ATOM 700 N ASP A 49 -3.791 1.173 -12.252 1.00 0.00 N ATOM 701 CA ASP A 49 -4.684 0.714 -11.197 1.00 0.00 C ATOM 702 C ASP A 49 -4.128 1.022 -9.808 1.00 0.00 C ATOM 703 O ASP A 49 -4.893 1.181 -8.856 1.00 0.00 O ATOM 704 CB ASP A 49 -4.927 -0.787 -11.335 1.00 0.00 C ATOM 705 CG ASP A 49 -5.592 -1.153 -12.648 1.00 0.00 C ATOM 706 OD1 ASP A 49 -5.873 -0.235 -13.449 1.00 0.00 O ATOM 707 OD2 ASP A 49 -5.834 -2.357 -12.876 1.00 0.00 O ATOM 0 H ASP A 49 -3.439 0.428 -12.853 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.626 1.251 -11.306 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.976 -1.314 -11.255 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.551 -1.128 -10.509 1.00 0.00 H new ATOM 712 N ASN A 50 -2.800 1.090 -9.691 1.00 0.00 N ATOM 713 CA ASN A 50 -2.160 1.364 -8.404 1.00 0.00 C ATOM 714 C ASN A 50 -2.857 2.504 -7.669 1.00 0.00 C ATOM 715 O ASN A 50 -3.295 3.477 -8.282 1.00 0.00 O ATOM 716 CB ASN A 50 -0.678 1.713 -8.580 1.00 0.00 C ATOM 717 CG ASN A 50 0.134 0.576 -9.169 1.00 0.00 C ATOM 718 OD1 ASN A 50 -0.025 -0.582 -8.786 1.00 0.00 O ATOM 719 ND2 ASN A 50 1.033 0.912 -10.085 1.00 0.00 N ATOM 0 H ASN A 50 -2.151 0.960 -10.467 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.244 0.453 -7.812 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.591 2.587 -9.226 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.258 1.988 -7.613 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.628 0.196 -10.502 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.129 1.886 -10.372 1.00 0.00 H new ATOM 726 N THR A 51 -2.951 2.373 -6.351 1.00 0.00 N ATOM 727 CA THR A 51 -3.589 3.390 -5.527 1.00 0.00 C ATOM 728 C THR A 51 -2.932 3.471 -4.153 1.00 0.00 C ATOM 729 O THR A 51 -2.763 2.462 -3.467 1.00 0.00 O ATOM 730 CB THR A 51 -5.097 3.116 -5.350 1.00 0.00 C ATOM 731 OG1 THR A 51 -5.682 4.122 -4.515 1.00 0.00 O ATOM 732 CG2 THR A 51 -5.336 1.742 -4.740 1.00 0.00 C ATOM 0 H THR A 51 -2.593 1.572 -5.831 1.00 0.00 H new ATOM 0 HA THR A 51 -3.464 4.340 -6.046 1.00 0.00 H new ATOM 0 HB THR A 51 -5.564 3.142 -6.335 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.640 3.943 -4.409 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.407 1.576 -4.627 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.917 0.976 -5.393 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.855 1.689 -3.763 1.00 0.00 H new ATOM 740 N TRP A 52 -2.561 4.685 -3.761 1.00 0.00 N ATOM 741 CA TRP A 52 -1.923 4.916 -2.476 1.00 0.00 C ATOM 742 C TRP A 52 -2.929 4.718 -1.347 1.00 0.00 C ATOM 743 O TRP A 52 -4.092 5.100 -1.470 1.00 0.00 O ATOM 744 CB TRP A 52 -1.340 6.327 -2.434 1.00 0.00 C ATOM 745 CG TRP A 52 -0.410 6.616 -3.577 1.00 0.00 C ATOM 746 CD1 TRP A 52 -0.696 6.564 -4.913 1.00 0.00 C ATOM 747 CD2 TRP A 52 0.965 6.990 -3.480 1.00 0.00 C ATOM 748 NE1 TRP A 52 0.419 6.886 -5.648 1.00 0.00 N ATOM 749 CE2 TRP A 52 1.450 7.158 -4.790 1.00 0.00 C ATOM 750 CE3 TRP A 52 1.830 7.203 -2.412 1.00 0.00 C ATOM 751 CZ2 TRP A 52 2.764 7.530 -5.054 1.00 0.00 C ATOM 752 CZ3 TRP A 52 3.131 7.570 -2.673 1.00 0.00 C ATOM 753 CH2 TRP A 52 3.589 7.733 -3.985 1.00 0.00 C ATOM 0 H TRP A 52 -2.694 5.527 -4.321 1.00 0.00 H new ATOM 0 HA TRP A 52 -1.113 4.199 -2.344 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.155 7.051 -2.445 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -0.805 6.464 -1.495 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -1.659 6.307 -5.330 1.00 0.00 H new ATOM 0 HE1 TRP A 52 0.470 6.917 -6.666 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.487 7.083 -1.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 3.119 7.654 -6.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 3.811 7.735 -1.850 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.615 8.025 -4.155 1.00 0.00 H new ATOM 764 N GLU A 53 -2.484 4.106 -0.254 1.00 0.00 N ATOM 765 CA GLU A 53 -3.363 3.848 0.881 1.00 0.00 C ATOM 766 C GLU A 53 -2.603 3.882 2.205 1.00 0.00 C ATOM 767 O GLU A 53 -1.439 3.492 2.276 1.00 0.00 O ATOM 768 CB GLU A 53 -4.068 2.505 0.700 1.00 0.00 C ATOM 769 CG GLU A 53 -3.149 1.387 0.243 1.00 0.00 C ATOM 770 CD GLU A 53 -3.911 0.124 -0.101 1.00 0.00 C ATOM 771 OE1 GLU A 53 -4.832 0.198 -0.941 1.00 0.00 O ATOM 772 OE2 GLU A 53 -3.586 -0.939 0.463 1.00 0.00 O ATOM 0 H GLU A 53 -1.525 3.781 -0.130 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.109 4.642 0.916 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.532 2.219 1.644 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.872 2.622 -0.027 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.584 1.717 -0.629 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.425 1.170 1.029 1.00 0.00 H new ATOM 779 N PRO A 54 -3.264 4.365 3.274 1.00 0.00 N ATOM 780 CA PRO A 54 -2.662 4.474 4.607 1.00 0.00 C ATOM 781 C PRO A 54 -2.019 3.181 5.087 1.00 0.00 C ATOM 782 O PRO A 54 -2.581 2.096 4.942 1.00 0.00 O ATOM 783 CB PRO A 54 -3.841 4.854 5.516 1.00 0.00 C ATOM 784 CG PRO A 54 -5.068 4.633 4.695 1.00 0.00 C ATOM 785 CD PRO A 54 -4.648 4.854 3.273 1.00 0.00 C ATOM 0 HA PRO A 54 -1.850 5.201 4.609 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -3.856 4.240 6.416 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.768 5.892 5.840 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -5.458 3.625 4.836 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.861 5.324 4.981 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -5.274 4.300 2.574 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -4.707 5.905 2.990 1.00 0.00 H new ATOM 793 N GLU A 55 -0.832 3.320 5.667 1.00 0.00 N ATOM 794 CA GLU A 55 -0.080 2.187 6.189 1.00 0.00 C ATOM 795 C GLU A 55 -0.865 1.462 7.280 1.00 0.00 C ATOM 796 O GLU A 55 -0.725 0.252 7.456 1.00 0.00 O ATOM 797 CB GLU A 55 1.269 2.666 6.735 1.00 0.00 C ATOM 798 CG GLU A 55 2.104 1.567 7.375 1.00 0.00 C ATOM 799 CD GLU A 55 2.528 0.494 6.389 1.00 0.00 C ATOM 800 OE1 GLU A 55 2.227 0.637 5.185 1.00 0.00 O ATOM 801 OE2 GLU A 55 3.169 -0.487 6.821 1.00 0.00 O ATOM 0 H GLU A 55 -0.366 4.219 5.788 1.00 0.00 H new ATOM 0 HA GLU A 55 0.091 1.483 5.375 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.840 3.115 5.922 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.093 3.450 7.472 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.992 2.009 7.826 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.532 1.107 8.181 1.00 0.00 H new ATOM 808 N GLU A 56 -1.683 2.214 8.011 1.00 0.00 N ATOM 809 CA GLU A 56 -2.488 1.648 9.091 1.00 0.00 C ATOM 810 C GLU A 56 -3.236 0.402 8.623 1.00 0.00 C ATOM 811 O GLU A 56 -3.168 -0.649 9.262 1.00 0.00 O ATOM 812 CB GLU A 56 -3.486 2.687 9.604 1.00 0.00 C ATOM 813 CG GLU A 56 -2.831 3.954 10.129 1.00 0.00 C ATOM 814 CD GLU A 56 -3.842 4.970 10.624 1.00 0.00 C ATOM 815 OE1 GLU A 56 -5.057 4.683 10.557 1.00 0.00 O ATOM 816 OE2 GLU A 56 -3.420 6.053 11.080 1.00 0.00 O ATOM 0 H GLU A 56 -1.806 3.217 7.876 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.815 1.363 9.899 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.171 2.950 8.798 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.085 2.242 10.399 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.151 3.698 10.942 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.228 4.402 9.339 1.00 0.00 H new ATOM 823 N ASN A 57 -3.943 0.527 7.506 1.00 0.00 N ATOM 824 CA ASN A 57 -4.700 -0.589 6.950 1.00 0.00 C ATOM 825 C ASN A 57 -3.769 -1.658 6.393 1.00 0.00 C ATOM 826 O ASN A 57 -4.049 -2.853 6.496 1.00 0.00 O ATOM 827 CB ASN A 57 -5.640 -0.105 5.845 1.00 0.00 C ATOM 828 CG ASN A 57 -6.698 0.852 6.358 1.00 0.00 C ATOM 829 OD1 ASN A 57 -7.493 0.506 7.232 1.00 0.00 O ATOM 830 ND2 ASN A 57 -6.716 2.063 5.813 1.00 0.00 N ATOM 0 H ASN A 57 -4.008 1.390 6.967 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.289 -1.023 7.758 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.057 0.387 5.067 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -6.126 -0.965 5.384 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.408 2.749 6.116 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.038 2.308 5.091 1.00 0.00 H new ATOM 837 N LEU A 58 -2.673 -1.218 5.783 1.00 0.00 N ATOM 838 CA LEU A 58 -1.710 -2.136 5.185 1.00 0.00 C ATOM 839 C LEU A 58 -1.192 -3.133 6.215 1.00 0.00 C ATOM 840 O LEU A 58 -0.686 -2.749 7.270 1.00 0.00 O ATOM 841 CB LEU A 58 -0.543 -1.360 4.565 1.00 0.00 C ATOM 842 CG LEU A 58 -0.941 -0.127 3.743 1.00 0.00 C ATOM 843 CD1 LEU A 58 0.209 0.336 2.864 1.00 0.00 C ATOM 844 CD2 LEU A 58 -2.165 -0.411 2.895 1.00 0.00 C ATOM 0 H LEU A 58 -2.430 -0.232 5.690 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.220 -2.692 4.398 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.127 -1.043 5.364 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.023 -2.037 3.924 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.184 0.672 4.444 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.100 1.211 2.292 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.064 0.594 3.489 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.489 -0.465 2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.426 0.479 2.323 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.951 -1.232 2.211 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.000 -0.684 3.541 1.00 0.00 H new ATOM 856 N ASP A 59 -1.322 -4.415 5.894 1.00 0.00 N ATOM 857 CA ASP A 59 -0.871 -5.483 6.778 1.00 0.00 C ATOM 858 C ASP A 59 0.348 -6.181 6.185 1.00 0.00 C ATOM 859 O ASP A 59 0.361 -7.401 6.016 1.00 0.00 O ATOM 860 CB ASP A 59 -2.000 -6.491 7.007 1.00 0.00 C ATOM 861 CG ASP A 59 -1.630 -7.560 8.017 1.00 0.00 C ATOM 862 OD1 ASP A 59 -1.339 -7.204 9.178 1.00 0.00 O ATOM 863 OD2 ASP A 59 -1.632 -8.753 7.646 1.00 0.00 O ATOM 0 H ASP A 59 -1.739 -4.741 5.022 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.590 -5.048 7.737 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.889 -5.963 7.351 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.257 -6.965 6.060 1.00 0.00 H new ATOM 868 N CYS A 60 1.367 -5.396 5.855 1.00 0.00 N ATOM 869 CA CYS A 60 2.585 -5.936 5.265 1.00 0.00 C ATOM 870 C CYS A 60 3.797 -5.065 5.598 1.00 0.00 C ATOM 871 O CYS A 60 4.491 -4.591 4.701 1.00 0.00 O ATOM 872 CB CYS A 60 2.424 -6.045 3.748 1.00 0.00 C ATOM 873 SG CYS A 60 2.045 -4.477 2.930 1.00 0.00 S ATOM 0 H CYS A 60 1.374 -4.384 5.986 1.00 0.00 H new ATOM 0 HA CYS A 60 2.754 -6.927 5.686 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.343 -6.451 3.324 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.630 -6.758 3.528 1.00 0.00 H new ATOM 0 HG CYS A 60 1.930 -4.672 1.650 1.00 0.00 H new ATOM 879 N PRO A 61 4.076 -4.849 6.900 1.00 0.00 N ATOM 880 CA PRO A 61 5.214 -4.037 7.342 1.00 0.00 C ATOM 881 C PRO A 61 6.523 -4.488 6.706 1.00 0.00 C ATOM 882 O PRO A 61 7.421 -3.679 6.471 1.00 0.00 O ATOM 883 CB PRO A 61 5.256 -4.249 8.864 1.00 0.00 C ATOM 884 CG PRO A 61 4.347 -5.401 9.135 1.00 0.00 C ATOM 885 CD PRO A 61 3.320 -5.384 8.042 1.00 0.00 C ATOM 0 HA PRO A 61 5.097 -2.992 7.055 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.270 -4.462 9.202 1.00 0.00 H new ATOM 0 HB3 PRO A 61 4.925 -3.356 9.393 1.00 0.00 H new ATOM 0 HG2 PRO A 61 4.899 -6.341 9.137 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.877 -5.305 10.114 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.929 -6.381 7.838 1.00 0.00 H new ATOM 0 HD3 PRO A 61 2.468 -4.753 8.296 1.00 0.00 H new ATOM 893 N ASP A 62 6.626 -5.786 6.433 1.00 0.00 N ATOM 894 CA ASP A 62 7.827 -6.347 5.828 1.00 0.00 C ATOM 895 C ASP A 62 8.149 -5.658 4.505 1.00 0.00 C ATOM 896 O ASP A 62 9.279 -5.222 4.288 1.00 0.00 O ATOM 897 CB ASP A 62 7.657 -7.851 5.602 1.00 0.00 C ATOM 898 CG ASP A 62 7.419 -8.611 6.894 1.00 0.00 C ATOM 899 OD1 ASP A 62 7.387 -7.969 7.966 1.00 0.00 O ATOM 900 OD2 ASP A 62 7.268 -9.849 6.833 1.00 0.00 O ATOM 0 H ASP A 62 5.891 -6.468 6.622 1.00 0.00 H new ATOM 0 HA ASP A 62 8.657 -6.179 6.515 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.820 -8.021 4.925 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.548 -8.244 5.112 1.00 0.00 H new ATOM 905 N LEU A 63 7.155 -5.561 3.625 1.00 0.00 N ATOM 906 CA LEU A 63 7.351 -4.921 2.327 1.00 0.00 C ATOM 907 C LEU A 63 7.794 -3.474 2.494 1.00 0.00 C ATOM 908 O LEU A 63 8.725 -3.025 1.826 1.00 0.00 O ATOM 909 CB LEU A 63 6.075 -4.982 1.487 1.00 0.00 C ATOM 910 CG LEU A 63 5.591 -6.388 1.121 1.00 0.00 C ATOM 911 CD1 LEU A 63 4.419 -6.306 0.162 1.00 0.00 C ATOM 912 CD2 LEU A 63 6.718 -7.210 0.511 1.00 0.00 C ATOM 0 H LEU A 63 6.212 -5.915 3.786 1.00 0.00 H new ATOM 0 HA LEU A 63 8.137 -5.468 1.806 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.279 -4.473 2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.240 -4.423 0.566 1.00 0.00 H new ATOM 0 HG LEU A 63 5.265 -6.885 2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.084 -7.312 -0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.602 -5.759 0.632 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.727 -5.788 -0.746 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.348 -8.204 0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.079 -6.718 -0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.534 -7.297 1.228 1.00 0.00 H new ATOM 924 N ILE A 64 7.131 -2.749 3.395 1.00 0.00 N ATOM 925 CA ILE A 64 7.480 -1.356 3.648 1.00 0.00 C ATOM 926 C ILE A 64 8.969 -1.243 3.943 1.00 0.00 C ATOM 927 O ILE A 64 9.641 -0.331 3.464 1.00 0.00 O ATOM 928 CB ILE A 64 6.670 -0.755 4.824 1.00 0.00 C ATOM 929 CG1 ILE A 64 5.219 -0.491 4.408 1.00 0.00 C ATOM 930 CG2 ILE A 64 7.315 0.533 5.320 1.00 0.00 C ATOM 931 CD1 ILE A 64 4.426 -1.741 4.098 1.00 0.00 C ATOM 0 H ILE A 64 6.356 -3.102 3.956 1.00 0.00 H new ATOM 0 HA ILE A 64 7.231 -0.789 2.751 1.00 0.00 H new ATOM 0 HB ILE A 64 6.671 -1.481 5.637 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.717 0.055 5.207 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.216 0.155 3.530 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.730 0.938 6.146 1.00 0.00 H new ATOM 0 HG22 ILE A 64 8.329 0.324 5.661 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.348 1.259 4.508 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.411 -1.466 3.812 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.901 -2.279 3.278 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.394 -2.380 4.981 1.00 0.00 H new ATOM 943 N ALA A 65 9.480 -2.193 4.719 1.00 0.00 N ATOM 944 CA ALA A 65 10.893 -2.216 5.063 1.00 0.00 C ATOM 945 C ALA A 65 11.743 -2.364 3.805 1.00 0.00 C ATOM 946 O ALA A 65 12.752 -1.685 3.645 1.00 0.00 O ATOM 947 CB ALA A 65 11.184 -3.346 6.040 1.00 0.00 C ATOM 0 H ALA A 65 8.935 -2.956 5.120 1.00 0.00 H new ATOM 0 HA ALA A 65 11.149 -1.272 5.544 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.246 -3.349 6.287 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.600 -3.200 6.949 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.915 -4.299 5.585 1.00 0.00 H new ATOM 953 N GLU A 66 11.317 -3.255 2.911 1.00 0.00 N ATOM 954 CA GLU A 66 12.031 -3.489 1.658 1.00 0.00 C ATOM 955 C GLU A 66 12.146 -2.206 0.839 1.00 0.00 C ATOM 956 O GLU A 66 13.192 -1.925 0.254 1.00 0.00 O ATOM 957 CB GLU A 66 11.328 -4.576 0.835 1.00 0.00 C ATOM 958 CG GLU A 66 11.697 -5.999 1.240 1.00 0.00 C ATOM 959 CD GLU A 66 11.345 -6.324 2.679 1.00 0.00 C ATOM 960 OE1 GLU A 66 11.937 -5.712 3.592 1.00 0.00 O ATOM 961 OE2 GLU A 66 10.477 -7.197 2.893 1.00 0.00 O ATOM 0 H GLU A 66 10.481 -3.826 3.032 1.00 0.00 H new ATOM 0 HA GLU A 66 13.037 -3.826 1.907 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.250 -4.450 0.932 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.572 -4.434 -0.218 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.186 -6.701 0.581 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.767 -6.145 1.093 1.00 0.00 H new ATOM 968 N PHE A 67 11.063 -1.436 0.797 1.00 0.00 N ATOM 969 CA PHE A 67 11.038 -0.184 0.047 1.00 0.00 C ATOM 970 C PHE A 67 11.944 0.871 0.681 1.00 0.00 C ATOM 971 O PHE A 67 12.687 1.563 -0.017 1.00 0.00 O ATOM 972 CB PHE A 67 9.599 0.338 -0.057 1.00 0.00 C ATOM 973 CG PHE A 67 9.500 1.791 -0.424 1.00 0.00 C ATOM 974 CD1 PHE A 67 9.984 2.252 -1.638 1.00 0.00 C ATOM 975 CD2 PHE A 67 8.923 2.696 0.452 1.00 0.00 C ATOM 976 CE1 PHE A 67 9.893 3.590 -1.971 1.00 0.00 C ATOM 977 CE2 PHE A 67 8.830 4.034 0.126 1.00 0.00 C ATOM 978 CZ PHE A 67 9.315 4.482 -1.088 1.00 0.00 C ATOM 0 H PHE A 67 10.189 -1.657 1.274 1.00 0.00 H new ATOM 0 HA PHE A 67 11.419 -0.385 -0.954 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.063 -0.251 -0.801 1.00 0.00 H new ATOM 0 HB3 PHE A 67 9.096 0.180 0.897 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.437 1.558 -2.331 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.541 2.350 1.401 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.273 3.938 -2.920 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.379 4.729 0.818 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.242 5.528 -1.346 1.00 0.00 H new ATOM 988 N LEU A 68 11.869 0.999 1.999 1.00 0.00 N ATOM 989 CA LEU A 68 12.672 1.981 2.721 1.00 0.00 C ATOM 990 C LEU A 68 14.163 1.667 2.636 1.00 0.00 C ATOM 991 O LEU A 68 14.984 2.567 2.455 1.00 0.00 O ATOM 992 CB LEU A 68 12.223 2.040 4.178 1.00 0.00 C ATOM 993 CG LEU A 68 10.737 2.340 4.374 1.00 0.00 C ATOM 994 CD1 LEU A 68 10.384 2.339 5.849 1.00 0.00 C ATOM 995 CD2 LEU A 68 10.366 3.670 3.733 1.00 0.00 C ATOM 0 H LEU A 68 11.260 0.435 2.592 1.00 0.00 H new ATOM 0 HA LEU A 68 12.519 2.953 2.253 1.00 0.00 H new ATOM 0 HB2 LEU A 68 12.454 1.087 4.655 1.00 0.00 H new ATOM 0 HB3 LEU A 68 12.806 2.804 4.693 1.00 0.00 H new ATOM 0 HG LEU A 68 10.162 1.555 3.883 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.322 2.554 5.969 1.00 0.00 H new ATOM 0 HD12 LEU A 68 10.606 1.361 6.276 1.00 0.00 H new ATOM 0 HD13 LEU A 68 10.969 3.101 6.364 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.304 3.863 3.885 1.00 0.00 H new ATOM 0 HD22 LEU A 68 10.949 4.469 4.190 1.00 0.00 H new ATOM 0 HD23 LEU A 68 10.579 3.631 2.665 1.00 0.00 H new ATOM 1007 N GLN A 69 14.512 0.390 2.770 1.00 0.00 N ATOM 1008 CA GLN A 69 15.908 -0.032 2.709 1.00 0.00 C ATOM 1009 C GLN A 69 16.566 0.432 1.414 1.00 0.00 C ATOM 1010 O GLN A 69 17.745 0.790 1.402 1.00 0.00 O ATOM 1011 CB GLN A 69 16.018 -1.552 2.836 1.00 0.00 C ATOM 1012 CG GLN A 69 15.635 -2.078 4.211 1.00 0.00 C ATOM 1013 CD GLN A 69 15.756 -3.588 4.329 1.00 0.00 C ATOM 1014 OE1 GLN A 69 15.466 -4.160 5.381 1.00 0.00 O ATOM 1015 NE2 GLN A 69 16.186 -4.246 3.257 1.00 0.00 N ATOM 0 H GLN A 69 13.848 -0.369 2.921 1.00 0.00 H new ATOM 0 HA GLN A 69 16.431 0.431 3.546 1.00 0.00 H new ATOM 0 HB2 GLN A 69 15.378 -2.018 2.087 1.00 0.00 H new ATOM 0 HB3 GLN A 69 17.041 -1.854 2.613 1.00 0.00 H new ATOM 0 HG2 GLN A 69 16.271 -1.609 4.962 1.00 0.00 H new ATOM 0 HG3 GLN A 69 14.609 -1.784 4.433 1.00 0.00 H new ATOM 0 HE21 GLN A 69 16.416 -3.736 2.404 1.00 0.00 H new ATOM 0 HE22 GLN A 69 16.286 -5.261 3.287 1.00 0.00 H new ATOM 1024 N SER A 70 15.799 0.426 0.328 1.00 0.00 N ATOM 1025 CA SER A 70 16.312 0.848 -0.971 1.00 0.00 C ATOM 1026 C SER A 70 16.941 2.236 -0.883 1.00 0.00 C ATOM 1027 O SER A 70 18.049 2.457 -1.371 1.00 0.00 O ATOM 1028 CB SER A 70 15.188 0.852 -2.010 1.00 0.00 C ATOM 1029 OG SER A 70 15.670 1.257 -3.280 1.00 0.00 O ATOM 0 H SER A 70 14.822 0.134 0.322 1.00 0.00 H new ATOM 0 HA SER A 70 17.080 0.138 -1.278 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.753 -0.145 -2.083 1.00 0.00 H new ATOM 0 HB3 SER A 70 14.393 1.524 -1.688 1.00 0.00 H new ATOM 0 HG SER A 70 14.934 1.250 -3.927 1.00 0.00 H new ATOM 1035 N GLN A 71 16.229 3.165 -0.253 1.00 0.00 N ATOM 1036 CA GLN A 71 16.720 4.529 -0.095 1.00 0.00 C ATOM 1037 C GLN A 71 17.823 4.593 0.953 1.00 0.00 C ATOM 1038 O GLN A 71 18.954 4.975 0.652 1.00 0.00 O ATOM 1039 CB GLN A 71 15.573 5.459 0.295 1.00 0.00 C ATOM 1040 CG GLN A 71 14.473 5.531 -0.750 1.00 0.00 C ATOM 1041 CD GLN A 71 13.323 6.417 -0.319 1.00 0.00 C ATOM 1042 OE1 GLN A 71 13.501 7.607 -0.066 1.00 0.00 O ATOM 1043 NE2 GLN A 71 12.133 5.836 -0.236 1.00 0.00 N ATOM 0 H GLN A 71 15.310 2.998 0.156 1.00 0.00 H new ATOM 0 HA GLN A 71 17.135 4.854 -1.049 1.00 0.00 H new ATOM 0 HB2 GLN A 71 15.146 5.121 1.239 1.00 0.00 H new ATOM 0 HB3 GLN A 71 15.969 6.460 0.465 1.00 0.00 H new ATOM 0 HG2 GLN A 71 14.888 5.908 -1.685 1.00 0.00 H new ATOM 0 HG3 GLN A 71 14.099 4.527 -0.950 1.00 0.00 H new ATOM 0 HE21 GLN A 71 12.033 4.845 -0.456 1.00 0.00 H new ATOM 0 HE22 GLN A 71 11.318 6.380 0.047 1.00 0.00 H new ATOM 1052 N LYS A 72 17.483 4.217 2.183 1.00 0.00 N ATOM 1053 CA LYS A 72 18.441 4.231 3.285 1.00 0.00 C ATOM 1054 C LYS A 72 19.169 5.578 3.320 1.00 0.00 C ATOM 1055 O LYS A 72 18.535 6.627 3.204 1.00 0.00 O ATOM 1056 CB LYS A 72 19.429 3.067 3.134 1.00 0.00 C ATOM 1057 CG LYS A 72 20.230 2.770 4.393 1.00 0.00 C ATOM 1058 CD LYS A 72 21.140 1.568 4.198 1.00 0.00 C ATOM 1059 CE LYS A 72 21.974 1.290 5.439 1.00 0.00 C ATOM 1060 NZ LYS A 72 22.814 0.071 5.280 1.00 0.00 N ATOM 0 H LYS A 72 16.549 3.898 2.442 1.00 0.00 H new ATOM 0 HA LYS A 72 17.913 4.104 4.230 1.00 0.00 H new ATOM 0 HB2 LYS A 72 18.879 2.171 2.846 1.00 0.00 H new ATOM 0 HB3 LYS A 72 20.119 3.292 2.321 1.00 0.00 H new ATOM 0 HG2 LYS A 72 20.827 3.642 4.660 1.00 0.00 H new ATOM 0 HG3 LYS A 72 19.550 2.583 5.224 1.00 0.00 H new ATOM 0 HD2 LYS A 72 20.539 0.691 3.959 1.00 0.00 H new ATOM 0 HD3 LYS A 72 21.799 1.744 3.348 1.00 0.00 H new ATOM 0 HE2 LYS A 72 22.614 2.148 5.646 1.00 0.00 H new ATOM 0 HE3 LYS A 72 21.316 1.168 6.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 23.367 -0.085 6.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 22.202 -0.752 5.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 23.460 0.197 4.475 1.00 0.00 H new ATOM 1074 N THR A 73 20.494 5.555 3.455 1.00 0.00 N ATOM 1075 CA THR A 73 21.275 6.784 3.474 1.00 0.00 C ATOM 1076 C THR A 73 21.554 7.251 2.050 1.00 0.00 C ATOM 1077 O THR A 73 22.660 7.692 1.734 1.00 0.00 O ATOM 1078 CB THR A 73 22.609 6.594 4.220 1.00 0.00 C ATOM 1079 OG1 THR A 73 23.387 5.574 3.583 1.00 0.00 O ATOM 1080 CG2 THR A 73 22.366 6.218 5.674 1.00 0.00 C ATOM 0 H THR A 73 21.044 4.702 3.552 1.00 0.00 H new ATOM 0 HA THR A 73 20.690 7.538 4.002 1.00 0.00 H new ATOM 0 HB THR A 73 23.154 7.538 4.190 1.00 0.00 H new ATOM 0 HG1 THR A 73 24.234 5.461 4.063 1.00 0.00 H new ATOM 0 HG21 THR A 73 23.322 6.089 6.181 1.00 0.00 H new ATOM 0 HG22 THR A 73 21.799 7.009 6.165 1.00 0.00 H new ATOM 0 HG23 THR A 73 21.802 5.286 5.720 1.00 0.00 H new ATOM 1088 N ALA A 74 20.538 7.136 1.195 1.00 0.00 N ATOM 1089 CA ALA A 74 20.647 7.524 -0.207 1.00 0.00 C ATOM 1090 C ALA A 74 21.644 6.635 -0.944 1.00 0.00 C ATOM 1091 O ALA A 74 22.776 6.449 -0.498 1.00 0.00 O ATOM 1092 CB ALA A 74 21.041 8.989 -0.327 1.00 0.00 C ATOM 0 H ALA A 74 19.621 6.773 1.455 1.00 0.00 H new ATOM 0 HA ALA A 74 19.670 7.391 -0.672 1.00 0.00 H new ATOM 0 HB1 ALA A 74 21.117 9.260 -1.380 1.00 0.00 H new ATOM 0 HB2 ALA A 74 20.285 9.610 0.154 1.00 0.00 H new ATOM 0 HB3 ALA A 74 22.003 9.148 0.159 1.00 0.00 H new ATOM 1098 N HIS A 75 21.211 6.084 -2.072 1.00 0.00 N ATOM 1099 CA HIS A 75 22.062 5.209 -2.869 1.00 0.00 C ATOM 1100 C HIS A 75 23.308 5.938 -3.367 1.00 0.00 C ATOM 1101 O HIS A 75 24.376 5.337 -3.494 1.00 0.00 O ATOM 1102 CB HIS A 75 21.281 4.612 -4.049 1.00 0.00 C ATOM 1103 CG HIS A 75 20.576 5.618 -4.916 1.00 0.00 C ATOM 1104 ND1 HIS A 75 19.879 5.263 -6.053 1.00 0.00 N ATOM 1105 CD2 HIS A 75 20.451 6.965 -4.811 1.00 0.00 C ATOM 1106 CE1 HIS A 75 19.358 6.344 -6.606 1.00 0.00 C ATOM 1107 NE2 HIS A 75 19.690 7.388 -5.872 1.00 0.00 N ATOM 0 H HIS A 75 20.277 6.228 -2.455 1.00 0.00 H new ATOM 0 HA HIS A 75 22.389 4.395 -2.222 1.00 0.00 H new ATOM 0 HB2 HIS A 75 21.970 4.039 -4.669 1.00 0.00 H new ATOM 0 HB3 HIS A 75 20.544 3.910 -3.660 1.00 0.00 H new ATOM 0 HD2 HIS A 75 20.872 7.589 -4.036 1.00 0.00 H new ATOM 0 HE1 HIS A 75 18.762 6.368 -7.506 1.00 0.00 H new ATOM 0 HE2 HIS A 75 19.424 8.354 -6.062 1.00 0.00 H new ATOM 1116 N GLU A 76 23.169 7.232 -3.643 1.00 0.00 N ATOM 1117 CA GLU A 76 24.289 8.037 -4.126 1.00 0.00 C ATOM 1118 C GLU A 76 23.891 9.505 -4.251 1.00 0.00 C ATOM 1119 O GLU A 76 24.626 10.395 -3.825 1.00 0.00 O ATOM 1120 CB GLU A 76 24.773 7.517 -5.482 1.00 0.00 C ATOM 1121 CG GLU A 76 25.950 8.296 -6.048 1.00 0.00 C ATOM 1122 CD GLU A 76 26.381 7.790 -7.411 1.00 0.00 C ATOM 1123 OE1 GLU A 76 25.552 7.820 -8.345 1.00 0.00 O ATOM 1124 OE2 GLU A 76 27.548 7.365 -7.546 1.00 0.00 O ATOM 0 H GLU A 76 22.294 7.746 -3.541 1.00 0.00 H new ATOM 0 HA GLU A 76 25.098 7.956 -3.401 1.00 0.00 H new ATOM 0 HB2 GLU A 76 25.057 6.470 -5.380 1.00 0.00 H new ATOM 0 HB3 GLU A 76 23.947 7.556 -6.192 1.00 0.00 H new ATOM 0 HG2 GLU A 76 25.681 9.350 -6.124 1.00 0.00 H new ATOM 0 HG3 GLU A 76 26.791 8.230 -5.357 1.00 0.00 H new ATOM 1131 N THR A 77 22.727 9.746 -4.844 1.00 0.00 N ATOM 1132 CA THR A 77 22.230 11.104 -5.034 1.00 0.00 C ATOM 1133 C THR A 77 21.979 11.797 -3.698 1.00 0.00 C ATOM 1134 O THR A 77 21.427 11.203 -2.772 1.00 0.00 O ATOM 1135 CB THR A 77 20.930 11.113 -5.861 1.00 0.00 C ATOM 1136 OG1 THR A 77 21.154 10.495 -7.134 1.00 0.00 O ATOM 1137 CG2 THR A 77 20.427 12.535 -6.067 1.00 0.00 C ATOM 0 H THR A 77 22.109 9.018 -5.202 1.00 0.00 H new ATOM 0 HA THR A 77 23.002 11.649 -5.577 1.00 0.00 H new ATOM 0 HB THR A 77 20.174 10.552 -5.311 1.00 0.00 H new ATOM 0 HG1 THR A 77 20.322 10.503 -7.653 1.00 0.00 H new ATOM 0 HG21 THR A 77 19.508 12.515 -6.654 1.00 0.00 H new ATOM 0 HG22 THR A 77 20.229 12.995 -5.099 1.00 0.00 H new ATOM 0 HG23 THR A 77 21.183 13.115 -6.596 1.00 0.00 H new ATOM 1145 N ASP A 78 22.384 13.061 -3.613 1.00 0.00 N ATOM 1146 CA ASP A 78 22.205 13.850 -2.398 1.00 0.00 C ATOM 1147 C ASP A 78 22.573 15.311 -2.642 1.00 0.00 C ATOM 1148 O ASP A 78 23.579 15.608 -3.287 1.00 0.00 O ATOM 1149 CB ASP A 78 23.045 13.272 -1.252 1.00 0.00 C ATOM 1150 CG ASP A 78 24.521 13.182 -1.592 1.00 0.00 C ATOM 1151 OD1 ASP A 78 25.148 14.237 -1.815 1.00 0.00 O ATOM 1152 OD2 ASP A 78 25.051 12.051 -1.631 1.00 0.00 O ATOM 0 H ASP A 78 22.840 13.563 -4.375 1.00 0.00 H new ATOM 0 HA ASP A 78 21.153 13.804 -2.115 1.00 0.00 H new ATOM 0 HB2 ASP A 78 22.918 13.893 -0.366 1.00 0.00 H new ATOM 0 HB3 ASP A 78 22.674 12.279 -1.001 1.00 0.00 H new ATOM 1157 N LYS A 79 21.746 16.219 -2.133 1.00 0.00 N ATOM 1158 CA LYS A 79 21.979 17.649 -2.302 1.00 0.00 C ATOM 1159 C LYS A 79 23.013 18.166 -1.303 1.00 0.00 C ATOM 1160 O LYS A 79 22.845 19.239 -0.724 1.00 0.00 O ATOM 1161 CB LYS A 79 20.668 18.424 -2.145 1.00 0.00 C ATOM 1162 CG LYS A 79 19.625 18.080 -3.196 1.00 0.00 C ATOM 1163 CD LYS A 79 20.104 18.426 -4.598 1.00 0.00 C ATOM 1164 CE LYS A 79 19.058 18.081 -5.645 1.00 0.00 C ATOM 1165 NZ LYS A 79 19.522 18.405 -7.022 1.00 0.00 N ATOM 0 H LYS A 79 20.908 15.989 -1.599 1.00 0.00 H new ATOM 0 HA LYS A 79 22.370 17.805 -3.307 1.00 0.00 H new ATOM 0 HB2 LYS A 79 20.254 18.224 -1.156 1.00 0.00 H new ATOM 0 HB3 LYS A 79 20.880 19.492 -2.192 1.00 0.00 H new ATOM 0 HG2 LYS A 79 19.392 17.017 -3.143 1.00 0.00 H new ATOM 0 HG3 LYS A 79 18.702 18.620 -2.983 1.00 0.00 H new ATOM 0 HD2 LYS A 79 20.337 19.489 -4.652 1.00 0.00 H new ATOM 0 HD3 LYS A 79 21.026 17.886 -4.812 1.00 0.00 H new ATOM 0 HE2 LYS A 79 18.819 17.019 -5.583 1.00 0.00 H new ATOM 0 HE3 LYS A 79 18.139 18.628 -5.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 18.780 18.155 -7.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 19.726 19.423 -7.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 20.385 17.864 -7.234 1.00 0.00 H new ATOM 1179 N SER A 80 24.082 17.394 -1.111 1.00 0.00 N ATOM 1180 CA SER A 80 25.151 17.767 -0.188 1.00 0.00 C ATOM 1181 C SER A 80 24.588 18.216 1.159 1.00 0.00 C ATOM 1182 O SER A 80 23.547 17.667 1.577 1.00 0.00 O ATOM 1183 CB SER A 80 26.018 18.877 -0.794 1.00 0.00 C ATOM 1184 OG SER A 80 25.261 20.051 -1.030 1.00 0.00 O ATOM 1185 OXT SER A 80 25.193 19.113 1.785 1.00 0.00 O ATOM 0 H SER A 80 24.230 16.503 -1.585 1.00 0.00 H new ATOM 0 HA SER A 80 25.770 16.885 -0.020 1.00 0.00 H new ATOM 0 HB2 SER A 80 26.845 19.104 -0.121 1.00 0.00 H new ATOM 0 HB3 SER A 80 26.455 18.530 -1.730 1.00 0.00 H new ATOM 0 HG SER A 80 24.398 19.981 -0.572 1.00 0.00 H new TER 1191 SER A 80 ATOM 1192 N ALA B 1 -0.800 -15.562 12.135 1.00 0.00 N ATOM 1193 CA ALA B 1 -0.164 -16.595 11.280 1.00 0.00 C ATOM 1194 C ALA B 1 1.014 -16.011 10.506 1.00 0.00 C ATOM 1195 O ALA B 1 2.063 -16.645 10.386 1.00 0.00 O ATOM 1196 CB ALA B 1 -1.183 -17.189 10.319 1.00 0.00 C ATOM 0 H1 ALA B 1 -1.496 -16.012 12.763 1.00 0.00 H new ATOM 0 H2 ALA B 1 -0.072 -15.089 12.708 1.00 0.00 H new ATOM 0 H3 ALA B 1 -1.278 -14.860 11.534 1.00 0.00 H new ATOM 0 HA ALA B 1 0.211 -17.387 11.928 1.00 0.00 H new ATOM 0 HB1 ALA B 1 -0.701 -17.945 9.699 1.00 0.00 H new ATOM 0 HB2 ALA B 1 -1.993 -17.647 10.886 1.00 0.00 H new ATOM 0 HB3 ALA B 1 -1.586 -16.401 9.683 1.00 0.00 H new ATOM 1204 N ARG B 2 0.830 -14.801 9.984 1.00 0.00 N ATOM 1205 CA ARG B 2 1.875 -14.126 9.219 1.00 0.00 C ATOM 1206 C ARG B 2 2.291 -14.960 8.011 1.00 0.00 C ATOM 1207 O ARG B 2 3.481 -15.158 7.763 1.00 0.00 O ATOM 1208 CB ARG B 2 3.089 -13.843 10.109 1.00 0.00 C ATOM 1209 CG ARG B 2 2.790 -12.914 11.276 1.00 0.00 C ATOM 1210 CD ARG B 2 2.387 -11.528 10.800 1.00 0.00 C ATOM 1211 NE ARG B 2 3.442 -10.889 10.016 1.00 0.00 N ATOM 1212 CZ ARG B 2 3.336 -9.674 9.487 1.00 0.00 C ATOM 1213 NH1 ARG B 2 2.230 -8.963 9.663 1.00 0.00 N ATOM 1214 NH2 ARG B 2 4.339 -9.166 8.784 1.00 0.00 N ATOM 0 H ARG B 2 -0.034 -14.267 10.077 1.00 0.00 H new ATOM 0 HA ARG B 2 1.473 -13.179 8.859 1.00 0.00 H new ATOM 0 HB2 ARG B 2 3.472 -14.787 10.497 1.00 0.00 H new ATOM 0 HB3 ARG B 2 3.880 -13.404 9.501 1.00 0.00 H new ATOM 0 HG2 ARG B 2 1.990 -13.338 11.883 1.00 0.00 H new ATOM 0 HG3 ARG B 2 3.669 -12.838 11.916 1.00 0.00 H new ATOM 0 HD2 ARG B 2 1.482 -11.601 10.198 1.00 0.00 H new ATOM 0 HD3 ARG B 2 2.147 -10.904 11.661 1.00 0.00 H new ATOM 0 HE ARG B 2 4.309 -11.405 9.866 1.00 0.00 H new ATOM 0 HH11 ARG B 2 1.457 -9.348 10.206 1.00 0.00 H new ATOM 0 HH12 ARG B 2 2.153 -8.031 9.256 1.00 0.00 H new ATOM 0 HH21 ARG B 2 5.193 -9.708 8.649 1.00 0.00 H new ATOM 0 HH22 ARG B 2 4.257 -8.234 8.378 1.00 0.00 H new ATOM 1228 N THR B 3 1.303 -15.444 7.263 1.00 0.00 N ATOM 1229 CA THR B 3 1.565 -16.255 6.079 1.00 0.00 C ATOM 1230 C THR B 3 2.458 -15.510 5.094 1.00 0.00 C ATOM 1231 O THR B 3 3.370 -16.092 4.507 1.00 0.00 O ATOM 1232 CB THR B 3 0.259 -16.652 5.366 1.00 0.00 C ATOM 1233 OG1 THR B 3 -0.464 -15.480 4.974 1.00 0.00 O ATOM 1234 CG2 THR B 3 -0.612 -17.513 6.269 1.00 0.00 C ATOM 0 H THR B 3 0.314 -15.288 7.456 1.00 0.00 H new ATOM 0 HA THR B 3 2.072 -17.158 6.420 1.00 0.00 H new ATOM 0 HB THR B 3 0.519 -17.230 4.479 1.00 0.00 H new ATOM 0 HG1 THR B 3 -1.292 -15.743 4.520 1.00 0.00 H new ATOM 0 HG21 THR B 3 -1.528 -17.780 5.743 1.00 0.00 H new ATOM 0 HG22 THR B 3 -0.071 -18.420 6.539 1.00 0.00 H new ATOM 0 HG23 THR B 3 -0.861 -16.956 7.172 1.00 0.00 H new HETATM 1242 N MLY B 4 2.191 -14.219 4.922 1.00 0.00 N HETATM 1243 CA MLY B 4 2.972 -13.390 4.011 1.00 0.00 C HETATM 1244 CB MLY B 4 2.738 -13.834 2.564 1.00 0.00 C HETATM 1245 CG MLY B 4 1.284 -13.736 2.126 1.00 0.00 C HETATM 1246 CD MLY B 4 1.105 -14.104 0.660 1.00 0.00 C HETATM 1247 CE MLY B 4 1.526 -15.540 0.383 1.00 0.00 C HETATM 1248 NZ MLY B 4 0.749 -16.516 1.196 1.00 0.00 N HETATM 1249 CH1 MLY B 4 -0.289 -16.972 0.471 1.00 0.00 C HETATM 1250 CH2 MLY B 4 1.546 -17.549 1.527 1.00 0.00 C HETATM 1251 C MLY B 4 2.603 -11.915 4.170 1.00 0.00 C HETATM 1252 O MLY B 4 2.234 -11.473 5.258 1.00 0.00 O HETATM 0 HH23 MLY B 4 1.908 -18.034 0.621 1.00 0.00 H new HETATM 0 HH22 MLY B 4 2.394 -17.183 2.106 1.00 0.00 H new HETATM 0 HH21 MLY B 4 0.982 -18.267 2.123 1.00 0.00 H new HETATM 0 HH13 MLY B 4 -0.932 -16.137 0.191 1.00 0.00 H new HETATM 0 HH12 MLY B 4 0.083 -17.462 -0.429 1.00 0.00 H new HETATM 0 HH11 MLY B 4 -0.860 -17.687 1.063 1.00 0.00 H new HETATM 0 HG3 MLY B 4 0.674 -14.396 2.743 1.00 0.00 H new HETATM 0 HG2 MLY B 4 0.923 -12.721 2.292 1.00 0.00 H new HETATM 0 HE3 MLY B 4 1.389 -15.760 -0.676 1.00 0.00 H new HETATM 0 HE2 MLY B 4 2.589 -15.654 0.598 1.00 0.00 H new HETATM 0 HD3 MLY B 4 0.061 -13.970 0.376 1.00 0.00 H new HETATM 0 HD2 MLY B 4 1.693 -13.427 0.041 1.00 0.00 H new HETATM 0 HB3 MLY B 4 3.351 -13.223 1.901 1.00 0.00 H new HETATM 0 HB2 MLY B 4 3.075 -14.864 2.450 1.00 0.00 H new HETATM 0 HA MLY B 4 4.027 -13.511 4.256 1.00 0.00 H new ATOM 1270 N GLN B 5 2.702 -11.162 3.079 1.00 0.00 N ATOM 1271 CA GLN B 5 2.377 -9.742 3.093 1.00 0.00 C ATOM 1272 C GLN B 5 1.082 -9.482 2.330 1.00 0.00 C ATOM 1273 O GLN B 5 0.899 -9.983 1.221 1.00 0.00 O ATOM 1274 CB GLN B 5 3.522 -8.932 2.483 1.00 0.00 C ATOM 1275 CG GLN B 5 4.796 -8.946 3.316 1.00 0.00 C ATOM 1276 CD GLN B 5 5.387 -10.335 3.471 1.00 0.00 C ATOM 1277 OE1 GLN B 5 5.737 -10.987 2.488 1.00 0.00 O ATOM 1278 NE2 GLN B 5 5.502 -10.795 4.712 1.00 0.00 N ATOM 0 H GLN B 5 3.006 -11.514 2.171 1.00 0.00 H new ATOM 0 HA GLN B 5 2.237 -9.429 4.128 1.00 0.00 H new ATOM 0 HB2 GLN B 5 3.744 -9.324 1.490 1.00 0.00 H new ATOM 0 HB3 GLN B 5 3.196 -7.900 2.352 1.00 0.00 H new ATOM 0 HG2 GLN B 5 5.535 -8.293 2.852 1.00 0.00 H new ATOM 0 HG3 GLN B 5 4.583 -8.535 4.303 1.00 0.00 H new ATOM 0 HE21 GLN B 5 5.199 -10.221 5.499 1.00 0.00 H new ATOM 0 HE22 GLN B 5 5.893 -11.722 4.878 1.00 0.00 H new ATOM 1287 N THR B 6 0.184 -8.701 2.930 1.00 0.00 N ATOM 1288 CA THR B 6 -1.099 -8.386 2.304 1.00 0.00 C ATOM 1289 C THR B 6 -1.636 -7.035 2.768 1.00 0.00 C ATOM 1290 O THR B 6 -1.423 -6.628 3.910 1.00 0.00 O ATOM 1291 CB THR B 6 -2.162 -9.464 2.608 1.00 0.00 C ATOM 1292 OG1 THR B 6 -2.304 -9.626 4.024 1.00 0.00 O ATOM 1293 CG2 THR B 6 -1.793 -10.796 1.975 1.00 0.00 C ATOM 0 H THR B 6 0.321 -8.276 3.847 1.00 0.00 H new ATOM 0 HA THR B 6 -0.911 -8.353 1.231 1.00 0.00 H new ATOM 0 HB THR B 6 -3.109 -9.133 2.181 1.00 0.00 H new ATOM 0 HG1 THR B 6 -3.210 -9.940 4.228 1.00 0.00 H new ATOM 0 HG21 THR B 6 -2.561 -11.534 2.207 1.00 0.00 H new ATOM 0 HG22 THR B 6 -1.719 -10.677 0.894 1.00 0.00 H new ATOM 0 HG23 THR B 6 -0.834 -11.133 2.369 1.00 0.00 H new ATOM 1301 N ALA B 7 -2.345 -6.351 1.872 1.00 0.00 N ATOM 1302 CA ALA B 7 -2.930 -5.050 2.179 1.00 0.00 C ATOM 1303 C ALA B 7 -4.229 -4.854 1.403 1.00 0.00 C ATOM 1304 O ALA B 7 -4.280 -5.070 0.192 1.00 0.00 O ATOM 1305 CB ALA B 7 -1.944 -3.933 1.868 1.00 0.00 C ATOM 0 H ALA B 7 -2.528 -6.679 0.924 1.00 0.00 H new ATOM 0 HA ALA B 7 -3.158 -5.016 3.244 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -2.398 -2.971 2.103 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -1.043 -4.065 2.467 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -1.683 -3.962 0.810 1.00 0.00 H new ATOM 1311 N ARG B 8 -5.281 -4.459 2.114 1.00 0.00 N ATOM 1312 CA ARG B 8 -6.590 -4.249 1.504 1.00 0.00 C ATOM 1313 C ARG B 8 -6.675 -2.899 0.802 1.00 0.00 C ATOM 1314 O ARG B 8 -5.878 -2.000 1.064 1.00 0.00 O ATOM 1315 CB ARG B 8 -7.684 -4.354 2.565 1.00 0.00 C ATOM 1316 CG ARG B 8 -7.713 -5.700 3.269 1.00 0.00 C ATOM 1317 CD ARG B 8 -8.770 -5.733 4.362 1.00 0.00 C ATOM 1318 NE ARG B 8 -8.536 -4.716 5.384 1.00 0.00 N ATOM 1319 CZ ARG B 8 -7.466 -4.691 6.174 1.00 0.00 C ATOM 1320 NH1 ARG B 8 -6.535 -5.632 6.072 1.00 0.00 N ATOM 1321 NH2 ARG B 8 -7.326 -3.724 7.071 1.00 0.00 N ATOM 0 H ARG B 8 -5.252 -4.277 3.117 1.00 0.00 H new ATOM 0 HA ARG B 8 -6.734 -5.025 0.752 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -7.538 -3.568 3.306 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -8.652 -4.176 2.097 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -7.914 -6.488 2.543 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -6.734 -5.907 3.701 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -9.754 -5.581 3.919 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -8.779 -6.719 4.827 1.00 0.00 H new ATOM 0 HE ARG B 8 -9.234 -3.981 5.499 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -6.638 -6.379 5.385 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -5.717 -5.608 6.680 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -8.039 -2.999 7.155 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -6.505 -3.705 7.677 1.00 0.00 H new HETATM 1335 N MLY B 9 -7.653 -2.771 -0.093 1.00 0.00 N HETATM 1336 CA MLY B 9 -7.867 -1.536 -0.842 1.00 0.00 C HETATM 1337 CB MLY B 9 -8.743 -1.801 -2.067 1.00 0.00 C HETATM 1338 CG MLY B 9 -8.060 -2.617 -3.151 1.00 0.00 C HETATM 1339 CD MLY B 9 -8.962 -2.778 -4.364 1.00 0.00 C HETATM 1340 CE MLY B 9 -8.221 -3.405 -5.533 1.00 0.00 C HETATM 1341 NZ MLY B 9 -7.067 -2.572 -5.972 1.00 0.00 N HETATM 1342 CH1 MLY B 9 -6.029 -3.374 -6.266 1.00 0.00 C HETATM 1343 CH2 MLY B 9 -7.413 -1.875 -7.069 1.00 0.00 C HETATM 1344 C MLY B 9 -8.522 -0.464 0.027 1.00 0.00 C HETATM 1345 O MLY B 9 -9.488 0.177 -0.390 1.00 0.00 O HETATM 0 HH23 MLY B 9 -7.689 -2.565 -7.867 1.00 0.00 H new HETATM 0 HH22 MLY B 9 -8.261 -1.230 -6.838 1.00 0.00 H new HETATM 0 HH21 MLY B 9 -6.570 -1.264 -7.393 1.00 0.00 H new HETATM 0 HH13 MLY B 9 -5.750 -3.947 -5.382 1.00 0.00 H new HETATM 0 HH12 MLY B 9 -6.312 -4.057 -7.067 1.00 0.00 H new HETATM 0 HH11 MLY B 9 -5.181 -2.769 -6.588 1.00 0.00 H new HETATM 0 HG3 MLY B 9 -7.131 -2.130 -3.447 1.00 0.00 H new HETATM 0 HG2 MLY B 9 -7.794 -3.599 -2.759 1.00 0.00 H new HETATM 0 HE3 MLY B 9 -7.866 -4.395 -5.248 1.00 0.00 H new HETATM 0 HE2 MLY B 9 -8.909 -3.541 -6.368 1.00 0.00 H new HETATM 0 HD3 MLY B 9 -9.819 -3.398 -4.101 1.00 0.00 H new HETATM 0 HD2 MLY B 9 -9.352 -1.804 -4.660 1.00 0.00 H new HETATM 0 HB3 MLY B 9 -9.646 -2.322 -1.749 1.00 0.00 H new HETATM 0 HB2 MLY B 9 -9.058 -0.847 -2.489 1.00 0.00 H new HETATM 0 HA MLY B 9 -6.890 -1.174 -1.163 1.00 0.00 H new HETATM 0 H MLY B 9 -8.070 -3.643 -0.418 1.00 0.00 H new ATOM 1363 N SER B 10 -7.996 -0.272 1.233 1.00 0.00 N ATOM 1364 CA SER B 10 -8.537 0.721 2.154 1.00 0.00 C ATOM 1365 C SER B 10 -10.014 0.450 2.427 1.00 0.00 C ATOM 1366 O SER B 10 -10.828 1.371 2.495 1.00 0.00 O ATOM 1367 CB SER B 10 -8.348 2.131 1.584 1.00 0.00 C ATOM 1368 OG SER B 10 -8.887 3.112 2.453 1.00 0.00 O ATOM 0 H SER B 10 -7.196 -0.791 1.595 1.00 0.00 H new ATOM 0 HA SER B 10 -7.995 0.651 3.097 1.00 0.00 H new ATOM 0 HB2 SER B 10 -7.287 2.324 1.428 1.00 0.00 H new ATOM 0 HB3 SER B 10 -8.831 2.200 0.609 1.00 0.00 H new ATOM 0 HG SER B 10 -9.835 2.922 2.613 1.00 0.00 H new ATOM 1374 N THR B 11 -10.349 -0.830 2.582 1.00 0.00 N ATOM 1375 CA THR B 11 -11.722 -1.238 2.849 1.00 0.00 C ATOM 1376 C THR B 11 -12.159 -0.818 4.253 1.00 0.00 C ATOM 1377 O THR B 11 -11.941 0.323 4.659 1.00 0.00 O ATOM 1378 CB THR B 11 -11.889 -2.761 2.685 1.00 0.00 C ATOM 1379 OG1 THR B 11 -11.009 -3.452 3.580 1.00 0.00 O ATOM 1380 CG2 THR B 11 -11.600 -3.185 1.253 1.00 0.00 C ATOM 0 H THR B 11 -9.685 -1.602 2.527 1.00 0.00 H new ATOM 0 HA THR B 11 -12.358 -0.735 2.120 1.00 0.00 H new ATOM 0 HB THR B 11 -12.921 -3.018 2.923 1.00 0.00 H new ATOM 0 HG1 THR B 11 -10.437 -2.804 4.041 1.00 0.00 H new ATOM 0 HG21 THR B 11 -11.724 -4.264 1.161 1.00 0.00 H new ATOM 0 HG22 THR B 11 -12.292 -2.681 0.578 1.00 0.00 H new ATOM 0 HG23 THR B 11 -10.577 -2.914 0.993 1.00 0.00 H new ATOM 1388 N GLY B 12 -12.777 -1.739 4.992 1.00 0.00 N ATOM 1389 CA GLY B 12 -13.228 -1.430 6.336 1.00 0.00 C ATOM 1390 C GLY B 12 -12.098 -0.968 7.235 1.00 0.00 C ATOM 1391 O GLY B 12 -10.995 -1.511 7.185 1.00 0.00 O ATOM 0 H GLY B 12 -12.972 -2.691 4.683 1.00 0.00 H new ATOM 0 HA2 GLY B 12 -13.992 -0.654 6.290 1.00 0.00 H new ATOM 0 HA3 GLY B 12 -13.696 -2.313 6.771 1.00 0.00 H new ATOM 1395 N GLY B 13 -12.374 0.042 8.055 1.00 0.00 N ATOM 1396 CA GLY B 13 -11.363 0.563 8.956 1.00 0.00 C ATOM 1397 C GLY B 13 -11.919 1.605 9.908 1.00 0.00 C ATOM 1398 O GLY B 13 -12.981 1.406 10.495 1.00 0.00 O ATOM 0 H GLY B 13 -13.279 0.508 8.111 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -10.934 -0.258 9.530 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -10.553 1.002 8.374 1.00 0.00 H new ATOM 1402 N LYS B 14 -11.194 2.714 10.052 1.00 0.00 N ATOM 1403 CA LYS B 14 -11.602 3.809 10.935 1.00 0.00 C ATOM 1404 C LYS B 14 -11.560 3.384 12.403 1.00 0.00 C ATOM 1405 O LYS B 14 -10.668 3.794 13.146 1.00 0.00 O ATOM 1406 CB LYS B 14 -13.006 4.298 10.571 1.00 0.00 C ATOM 1407 CG LYS B 14 -13.125 4.795 9.138 1.00 0.00 C ATOM 1408 CD LYS B 14 -14.546 5.228 8.808 1.00 0.00 C ATOM 1409 CE LYS B 14 -15.519 4.061 8.875 1.00 0.00 C ATOM 1410 NZ LYS B 14 -16.912 4.479 8.556 1.00 0.00 N ATOM 0 H LYS B 14 -10.314 2.879 9.564 1.00 0.00 H new ATOM 0 HA LYS B 14 -10.894 4.626 10.797 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -13.716 3.485 10.725 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -13.289 5.102 11.250 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -12.445 5.633 8.986 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -12.817 4.006 8.452 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -14.861 6.005 9.505 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -14.571 5.666 7.810 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -15.204 3.285 8.177 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -15.491 3.622 9.872 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -17.543 3.655 8.613 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -17.223 5.201 9.237 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -16.944 4.874 7.595 1.00 0.00 H new ATOM 1424 N ALA B 15 -12.525 2.559 12.808 1.00 0.00 N ATOM 1425 CA ALA B 15 -12.607 2.070 14.183 1.00 0.00 C ATOM 1426 C ALA B 15 -12.842 3.212 15.173 1.00 0.00 C ATOM 1427 O ALA B 15 -12.211 4.266 15.082 1.00 0.00 O ATOM 1428 CB ALA B 15 -11.346 1.300 14.550 1.00 0.00 C ATOM 0 H ALA B 15 -13.266 2.213 12.198 1.00 0.00 H new ATOM 0 HA ALA B 15 -13.462 1.397 14.244 1.00 0.00 H new ATOM 0 HB1 ALA B 15 -11.424 0.943 15.577 1.00 0.00 H new ATOM 0 HB2 ALA B 15 -11.230 0.450 13.878 1.00 0.00 H new ATOM 0 HB3 ALA B 15 -10.480 1.955 14.458 1.00 0.00 H new ATOM 1434 N PRO B 16 -13.760 3.019 16.139 1.00 0.00 N ATOM 1435 CA PRO B 16 -14.073 4.039 17.147 1.00 0.00 C ATOM 1436 C PRO B 16 -12.864 4.392 18.007 1.00 0.00 C ATOM 1437 O PRO B 16 -12.152 3.510 18.486 1.00 0.00 O ATOM 1438 CB PRO B 16 -15.166 3.386 18.004 1.00 0.00 C ATOM 1439 CG PRO B 16 -15.040 1.924 17.745 1.00 0.00 C ATOM 1440 CD PRO B 16 -14.559 1.797 16.329 1.00 0.00 C ATOM 0 HA PRO B 16 -14.383 4.977 16.687 1.00 0.00 H new ATOM 0 HB2 PRO B 16 -15.026 3.613 19.061 1.00 0.00 H new ATOM 0 HB3 PRO B 16 -16.155 3.752 17.728 1.00 0.00 H new ATOM 0 HG2 PRO B 16 -14.337 1.464 18.439 1.00 0.00 H new ATOM 0 HG3 PRO B 16 -15.997 1.420 17.879 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -13.961 0.897 16.185 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -15.389 1.744 15.624 1.00 0.00 H new ATOM 1448 N GLY B 17 -12.638 5.689 18.198 1.00 0.00 N ATOM 1449 CA GLY B 17 -11.514 6.139 18.998 1.00 0.00 C ATOM 1450 C GLY B 17 -11.605 5.677 20.439 1.00 0.00 C ATOM 1451 O GLY B 17 -12.672 5.735 21.051 1.00 0.00 O ATOM 0 H GLY B 17 -13.215 6.437 17.812 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -10.588 5.768 18.559 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -11.466 7.228 18.971 1.00 0.00 H new ATOM 1455 N GLY B 18 -10.480 5.220 20.983 1.00 0.00 N ATOM 1456 CA GLY B 18 -10.456 4.752 22.358 1.00 0.00 C ATOM 1457 C GLY B 18 -11.357 3.553 22.580 1.00 0.00 C ATOM 1458 O GLY B 18 -11.097 2.495 21.970 1.00 0.00 O ATOM 1459 OXT GLY B 18 -12.322 3.673 23.364 1.00 0.00 O ATOM 0 H GLY B 18 -9.585 5.166 20.496 1.00 0.00 H new ATOM 0 HA2 GLY B 18 -9.434 4.490 22.631 1.00 0.00 H new ATOM 0 HA3 GLY B 18 -10.765 5.562 23.019 1.00 0.00 H new TER 1463 GLY B 18