USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 687 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 34 GLN : amide:sc= -1.12 K(o=-0.052,f=-5) USER MOD Set 1.2: A 67 HIS : no HE2:sc= 1.07 K(o=-0.052,f=-8.3!) USER MOD Set 2.1: A 30 SER OG : rot -77:sc= 1.41 USER MOD Set 2.2: A 32 THR OG1 : rot 180:sc= 0.443 USER MOD Single : A 1 GLY N :NH3+ -133:sc= 0.109 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 22:sc= 0.107 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 MET CE :methyl -139:sc= -2.79! (180deg=-5.98!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -157:sc= -0.296 (180deg=-0.787) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 45 CYS SG : rot 60:sc= 0.232 USER MOD Single : A 49 CYS SG : rot 70:sc= 0.449 USER MOD Single : A 58 ASN : amide:sc= -2! C(o=-2!,f=-4.3!) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.312 X(o=-0.31,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.123 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 CYS SG : rot 63:sc= -0.144 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 77:sc= 0.893 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= -1.65 K(o=-1.7,f=-0.58) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -93:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.940 12.452 -17.844 1.00 0.00 N ATOM 2 CA GLY A 1 -19.894 11.013 -18.123 1.00 0.00 C ATOM 3 C GLY A 1 -19.407 10.253 -16.905 1.00 0.00 C ATOM 4 O GLY A 1 -19.312 10.812 -15.810 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.848 12.840 -18.169 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.842 12.611 -16.821 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.162 12.928 -18.344 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.885 10.660 -18.408 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.232 10.821 -18.968 1.00 0.00 H new ATOM 8 N SER A 2 -19.111 8.973 -17.088 1.00 0.00 N ATOM 9 CA SER A 2 -18.310 8.176 -16.173 1.00 0.00 C ATOM 10 C SER A 2 -17.497 7.180 -17.012 1.00 0.00 C ATOM 11 O SER A 2 -16.301 7.005 -16.780 1.00 0.00 O ATOM 12 CB SER A 2 -19.238 7.521 -15.142 1.00 0.00 C ATOM 13 OG SER A 2 -18.547 7.060 -13.997 1.00 0.00 O ATOM 0 H SER A 2 -19.432 8.447 -17.901 1.00 0.00 H new ATOM 0 HA SER A 2 -17.600 8.774 -15.602 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.999 8.239 -14.837 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.758 6.684 -15.608 1.00 0.00 H new ATOM 0 HG SER A 2 -19.183 6.654 -13.372 1.00 0.00 H new ATOM 19 N SER A 3 -18.085 6.615 -18.071 1.00 0.00 N ATOM 20 CA SER A 3 -17.317 6.065 -19.172 1.00 0.00 C ATOM 21 C SER A 3 -16.835 7.250 -20.013 1.00 0.00 C ATOM 22 O SER A 3 -17.589 7.776 -20.838 1.00 0.00 O ATOM 23 CB SER A 3 -18.182 5.105 -19.996 1.00 0.00 C ATOM 24 OG SER A 3 -18.571 3.953 -19.261 1.00 0.00 O ATOM 0 H SER A 3 -19.096 6.531 -18.181 1.00 0.00 H new ATOM 0 HA SER A 3 -16.464 5.488 -18.813 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.073 5.630 -20.341 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.631 4.796 -20.884 1.00 0.00 H new ATOM 0 HG SER A 3 -19.121 3.374 -19.828 1.00 0.00 H new ATOM 30 N GLY A 4 -15.592 7.686 -19.815 1.00 0.00 N ATOM 31 CA GLY A 4 -14.898 8.619 -20.698 1.00 0.00 C ATOM 32 C GLY A 4 -13.639 7.940 -21.213 1.00 0.00 C ATOM 33 O GLY A 4 -12.532 8.417 -20.961 1.00 0.00 O ATOM 0 H GLY A 4 -15.027 7.393 -19.018 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.542 8.906 -21.529 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.644 9.533 -20.161 1.00 0.00 H new ATOM 37 N SER A 5 -13.811 6.801 -21.887 1.00 0.00 N ATOM 38 CA SER A 5 -12.804 5.765 -22.102 1.00 0.00 C ATOM 39 C SER A 5 -12.316 5.173 -20.769 1.00 0.00 C ATOM 40 O SER A 5 -12.685 5.627 -19.682 1.00 0.00 O ATOM 41 CB SER A 5 -11.636 6.272 -22.968 1.00 0.00 C ATOM 42 OG SER A 5 -12.075 7.114 -24.022 1.00 0.00 O ATOM 0 H SER A 5 -14.704 6.566 -22.320 1.00 0.00 H new ATOM 0 HA SER A 5 -13.281 4.959 -22.659 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.931 6.817 -22.340 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.099 5.420 -23.386 1.00 0.00 H new ATOM 0 HG SER A 5 -11.302 7.414 -24.545 1.00 0.00 H new ATOM 48 N SER A 6 -11.480 4.145 -20.846 1.00 0.00 N ATOM 49 CA SER A 6 -10.747 3.540 -19.742 1.00 0.00 C ATOM 50 C SER A 6 -9.563 2.803 -20.390 1.00 0.00 C ATOM 51 O SER A 6 -9.223 3.098 -21.540 1.00 0.00 O ATOM 52 CB SER A 6 -11.697 2.641 -18.931 1.00 0.00 C ATOM 53 OG SER A 6 -11.088 2.133 -17.757 1.00 0.00 O ATOM 0 H SER A 6 -11.284 3.684 -21.735 1.00 0.00 H new ATOM 0 HA SER A 6 -10.359 4.258 -19.020 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.587 3.209 -18.659 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.027 1.810 -19.554 1.00 0.00 H new ATOM 0 HG SER A 6 -10.333 2.706 -17.506 1.00 0.00 H new ATOM 59 N GLY A 7 -8.907 1.890 -19.678 1.00 0.00 N ATOM 60 CA GLY A 7 -7.795 1.115 -20.202 1.00 0.00 C ATOM 61 C GLY A 7 -6.484 1.809 -19.860 1.00 0.00 C ATOM 62 O GLY A 7 -5.885 2.495 -20.699 1.00 0.00 O ATOM 0 H GLY A 7 -9.139 1.668 -18.710 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.808 0.110 -19.779 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.890 1.008 -21.282 1.00 0.00 H new ATOM 66 N GLN A 8 -6.052 1.640 -18.614 1.00 0.00 N ATOM 67 CA GLN A 8 -4.719 1.934 -18.115 1.00 0.00 C ATOM 68 C GLN A 8 -4.375 0.811 -17.137 1.00 0.00 C ATOM 69 O GLN A 8 -5.286 0.176 -16.603 1.00 0.00 O ATOM 70 CB GLN A 8 -4.675 3.296 -17.402 1.00 0.00 C ATOM 71 CG GLN A 8 -4.953 4.475 -18.342 1.00 0.00 C ATOM 72 CD GLN A 8 -4.750 5.806 -17.632 1.00 0.00 C ATOM 73 OE1 GLN A 8 -5.676 6.369 -17.059 1.00 0.00 O ATOM 74 NE2 GLN A 8 -3.535 6.325 -17.657 1.00 0.00 N ATOM 0 H GLN A 8 -6.662 1.272 -17.884 1.00 0.00 H new ATOM 0 HA GLN A 8 -4.003 1.990 -18.935 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.408 3.301 -16.595 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -3.695 3.428 -16.943 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.292 4.417 -19.207 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.975 4.412 -18.716 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -2.782 5.836 -18.141 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -3.351 7.214 -17.192 1.00 0.00 H new ATOM 83 N ALA A 9 -3.078 0.592 -16.893 1.00 0.00 N ATOM 84 CA ALA A 9 -2.599 -0.530 -16.096 1.00 0.00 C ATOM 85 C ALA A 9 -3.242 -0.530 -14.711 1.00 0.00 C ATOM 86 O ALA A 9 -3.012 0.375 -13.905 1.00 0.00 O ATOM 87 CB ALA A 9 -1.074 -0.517 -15.983 1.00 0.00 C ATOM 0 H ALA A 9 -2.333 1.193 -17.246 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.891 -1.447 -16.607 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.746 -1.366 -15.383 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.635 -0.585 -16.978 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.752 0.409 -15.507 1.00 0.00 H new ATOM 93 N GLU A 10 -4.040 -1.551 -14.432 1.00 0.00 N ATOM 94 CA GLU A 10 -4.817 -1.707 -13.211 1.00 0.00 C ATOM 95 C GLU A 10 -3.940 -2.298 -12.093 1.00 0.00 C ATOM 96 O GLU A 10 -4.296 -3.286 -11.448 1.00 0.00 O ATOM 97 CB GLU A 10 -6.051 -2.530 -13.603 1.00 0.00 C ATOM 98 CG GLU A 10 -7.209 -2.519 -12.601 1.00 0.00 C ATOM 99 CD GLU A 10 -8.537 -2.571 -13.360 1.00 0.00 C ATOM 100 OE1 GLU A 10 -8.778 -3.561 -14.089 1.00 0.00 O ATOM 101 OE2 GLU A 10 -9.296 -1.577 -13.317 1.00 0.00 O ATOM 0 H GLU A 10 -4.169 -2.328 -15.080 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.164 -0.765 -12.785 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.421 -2.161 -14.560 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.740 -3.563 -13.758 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.129 -3.371 -11.926 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.164 -1.620 -11.986 1.00 0.00 H new ATOM 108 N LEU A 11 -2.768 -1.686 -11.870 1.00 0.00 N ATOM 109 CA LEU A 11 -1.726 -2.089 -10.921 1.00 0.00 C ATOM 110 C LEU A 11 -1.266 -3.538 -11.193 1.00 0.00 C ATOM 111 O LEU A 11 -1.403 -4.015 -12.327 1.00 0.00 O ATOM 112 CB LEU A 11 -2.206 -1.751 -9.497 1.00 0.00 C ATOM 113 CG LEU A 11 -2.183 -0.244 -9.101 1.00 0.00 C ATOM 114 CD1 LEU A 11 -1.413 -0.062 -7.801 1.00 0.00 C ATOM 115 CD2 LEU A 11 -1.632 0.773 -10.113 1.00 0.00 C ATOM 0 H LEU A 11 -2.508 -0.843 -12.382 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.803 -1.524 -11.050 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.226 -2.119 -9.383 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.587 -2.301 -8.788 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.245 -0.012 -9.028 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.401 0.994 -7.530 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.896 -0.634 -7.009 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.390 -0.415 -7.932 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.685 1.775 -9.687 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.595 0.531 -10.344 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.225 0.735 -11.027 1.00 0.00 H new ATOM 127 N MET A 12 -0.592 -4.198 -10.239 1.00 0.00 N ATOM 128 CA MET A 12 -0.213 -5.604 -10.393 1.00 0.00 C ATOM 129 C MET A 12 -1.330 -6.480 -9.851 1.00 0.00 C ATOM 130 O MET A 12 -1.670 -6.348 -8.677 1.00 0.00 O ATOM 131 CB MET A 12 1.071 -5.953 -9.625 1.00 0.00 C ATOM 132 CG MET A 12 2.317 -5.306 -10.229 1.00 0.00 C ATOM 133 SD MET A 12 3.871 -6.221 -10.000 1.00 0.00 S ATOM 134 CE MET A 12 3.843 -6.503 -8.212 1.00 0.00 C ATOM 0 H MET A 12 -0.300 -3.779 -9.356 1.00 0.00 H new ATOM 0 HA MET A 12 -0.038 -5.777 -11.455 1.00 0.00 H new ATOM 0 HB2 MET A 12 0.967 -5.633 -8.588 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.199 -7.035 -9.613 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.151 -5.170 -11.298 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.434 -4.313 -9.796 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.843 -6.353 -7.804 1.00 0.00 H new ATOM 0 HE2 MET A 12 3.151 -5.803 -7.744 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.518 -7.524 -8.010 1.00 0.00 H new ATOM 144 N THR A 13 -1.840 -7.407 -10.661 1.00 0.00 N ATOM 145 CA THR A 13 -2.573 -8.559 -10.152 1.00 0.00 C ATOM 146 C THR A 13 -1.608 -9.741 -10.061 1.00 0.00 C ATOM 147 O THR A 13 -0.742 -9.899 -10.927 1.00 0.00 O ATOM 148 CB THR A 13 -3.788 -8.876 -11.035 1.00 0.00 C ATOM 149 OG1 THR A 13 -4.480 -7.710 -11.424 1.00 0.00 O ATOM 150 CG2 THR A 13 -4.784 -9.747 -10.273 1.00 0.00 C ATOM 0 H THR A 13 -1.757 -7.379 -11.677 1.00 0.00 H new ATOM 0 HA THR A 13 -2.967 -8.342 -9.159 1.00 0.00 H new ATOM 0 HB THR A 13 -3.400 -9.387 -11.916 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.245 -7.955 -11.986 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.640 -9.964 -10.911 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.303 -10.681 -9.982 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.121 -9.219 -9.381 1.00 0.00 H new ATOM 158 N LEU A 14 -1.754 -10.568 -9.029 1.00 0.00 N ATOM 159 CA LEU A 14 -0.943 -11.745 -8.761 1.00 0.00 C ATOM 160 C LEU A 14 -1.882 -12.916 -8.499 1.00 0.00 C ATOM 161 O LEU A 14 -2.939 -12.729 -7.891 1.00 0.00 O ATOM 162 CB LEU A 14 -0.065 -11.506 -7.522 1.00 0.00 C ATOM 163 CG LEU A 14 0.926 -10.334 -7.625 1.00 0.00 C ATOM 164 CD1 LEU A 14 1.641 -10.167 -6.283 1.00 0.00 C ATOM 165 CD2 LEU A 14 1.982 -10.565 -8.710 1.00 0.00 C ATOM 0 H LEU A 14 -2.478 -10.425 -8.324 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.296 -11.956 -9.613 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.716 -11.333 -6.665 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.497 -12.417 -7.316 1.00 0.00 H new ATOM 0 HG LEU A 14 0.357 -9.442 -7.887 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.346 -9.338 -6.347 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.908 -9.961 -5.503 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.180 -11.083 -6.041 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.659 -9.712 -8.746 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.548 -11.468 -8.481 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.491 -10.680 -9.677 1.00 0.00 H new ATOM 177 N THR A 15 -1.492 -14.119 -8.914 1.00 0.00 N ATOM 178 CA THR A 15 -2.316 -15.312 -8.785 1.00 0.00 C ATOM 179 C THR A 15 -1.814 -16.168 -7.619 1.00 0.00 C ATOM 180 O THR A 15 -0.611 -16.416 -7.510 1.00 0.00 O ATOM 181 CB THR A 15 -2.311 -16.117 -10.091 1.00 0.00 C ATOM 182 OG1 THR A 15 -2.536 -15.308 -11.237 1.00 0.00 O ATOM 183 CG2 THR A 15 -3.403 -17.183 -10.075 1.00 0.00 C ATOM 0 H THR A 15 -0.587 -14.292 -9.352 1.00 0.00 H new ATOM 0 HA THR A 15 -3.343 -15.010 -8.581 1.00 0.00 H new ATOM 0 HB THR A 15 -1.319 -16.564 -10.153 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.521 -15.868 -12.041 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.380 -17.741 -11.011 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.234 -17.865 -9.242 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.376 -16.705 -9.961 1.00 0.00 H new ATOM 191 N ILE A 16 -2.720 -16.670 -6.777 1.00 0.00 N ATOM 192 CA ILE A 16 -2.400 -17.539 -5.644 1.00 0.00 C ATOM 193 C ILE A 16 -3.480 -18.605 -5.428 1.00 0.00 C ATOM 194 O ILE A 16 -4.666 -18.278 -5.447 1.00 0.00 O ATOM 195 CB ILE A 16 -2.238 -16.693 -4.363 1.00 0.00 C ATOM 196 CG1 ILE A 16 -3.361 -15.684 -4.089 1.00 0.00 C ATOM 197 CG2 ILE A 16 -0.911 -15.919 -4.304 1.00 0.00 C ATOM 198 CD1 ILE A 16 -3.168 -15.060 -2.708 1.00 0.00 C ATOM 0 H ILE A 16 -3.718 -16.479 -6.866 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.464 -18.050 -5.869 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.271 -17.463 -3.593 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.359 -14.907 -4.853 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.330 -16.181 -4.142 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.865 -15.347 -3.378 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.078 -16.621 -4.339 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.848 -15.239 -5.154 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.967 -14.344 -2.517 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.192 -15.842 -1.949 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.206 -14.548 -2.671 1.00 0.00 H new ATOM 210 N VAL A 17 -3.119 -19.863 -5.149 1.00 0.00 N ATOM 211 CA VAL A 17 -4.063 -20.947 -4.898 1.00 0.00 C ATOM 212 C VAL A 17 -4.053 -21.400 -3.437 1.00 0.00 C ATOM 213 O VAL A 17 -3.012 -21.536 -2.791 1.00 0.00 O ATOM 214 CB VAL A 17 -3.933 -22.062 -5.960 1.00 0.00 C ATOM 215 CG1 VAL A 17 -2.662 -22.107 -6.800 1.00 0.00 C ATOM 216 CG2 VAL A 17 -4.295 -23.472 -5.478 1.00 0.00 C ATOM 0 H VAL A 17 -2.144 -20.157 -5.091 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.077 -20.569 -5.030 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.711 -21.718 -6.642 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.717 -22.942 -7.499 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.560 -21.175 -7.355 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.799 -22.237 -6.147 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.171 -24.180 -6.298 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.641 -23.754 -4.653 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.331 -23.486 -5.141 1.00 0.00 H new ATOM 226 N LYS A 18 -5.254 -21.598 -2.900 1.00 0.00 N ATOM 227 CA LYS A 18 -5.528 -21.837 -1.490 1.00 0.00 C ATOM 228 C LYS A 18 -5.239 -23.282 -1.090 1.00 0.00 C ATOM 229 O LYS A 18 -5.915 -24.195 -1.558 1.00 0.00 O ATOM 230 CB LYS A 18 -7.002 -21.494 -1.273 1.00 0.00 C ATOM 231 CG LYS A 18 -7.442 -21.498 0.190 1.00 0.00 C ATOM 232 CD LYS A 18 -8.952 -21.281 0.227 1.00 0.00 C ATOM 233 CE LYS A 18 -9.428 -21.068 1.654 1.00 0.00 C ATOM 234 NZ LYS A 18 -10.875 -21.343 1.802 1.00 0.00 N ATOM 0 H LYS A 18 -6.103 -21.596 -3.466 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.880 -21.221 -0.867 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.199 -20.509 -1.696 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -7.614 -22.207 -1.826 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.181 -22.444 0.664 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.930 -20.712 0.744 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.215 -20.417 -0.383 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.459 -22.143 -0.206 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.865 -21.717 2.325 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.221 -20.041 1.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.241 -20.837 2.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.378 -21.021 0.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.023 -22.365 1.926 1.00 0.00 H new ATOM 248 N GLY A 19 -4.291 -23.485 -0.181 1.00 0.00 N ATOM 249 CA GLY A 19 -4.089 -24.747 0.507 1.00 0.00 C ATOM 250 C GLY A 19 -5.056 -24.889 1.677 1.00 0.00 C ATOM 251 O GLY A 19 -5.746 -23.932 2.037 1.00 0.00 O ATOM 0 H GLY A 19 -3.631 -22.760 0.101 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.231 -25.573 -0.190 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.063 -24.809 0.869 1.00 0.00 H new ATOM 255 N ALA A 20 -5.085 -26.074 2.289 1.00 0.00 N ATOM 256 CA ALA A 20 -6.077 -26.531 3.262 1.00 0.00 C ATOM 257 C ALA A 20 -6.337 -25.536 4.396 1.00 0.00 C ATOM 258 O ALA A 20 -7.464 -25.067 4.575 1.00 0.00 O ATOM 259 CB ALA A 20 -5.625 -27.882 3.831 1.00 0.00 C ATOM 0 H ALA A 20 -4.374 -26.782 2.107 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.026 -26.628 2.734 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.357 -28.234 4.558 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.540 -28.607 3.022 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.657 -27.766 4.318 1.00 0.00 H new ATOM 265 N GLN A 21 -5.305 -25.192 5.166 1.00 0.00 N ATOM 266 CA GLN A 21 -5.448 -24.316 6.327 1.00 0.00 C ATOM 267 C GLN A 21 -5.456 -22.838 5.907 1.00 0.00 C ATOM 268 O GLN A 21 -5.465 -21.949 6.761 1.00 0.00 O ATOM 269 CB GLN A 21 -4.393 -24.698 7.373 1.00 0.00 C ATOM 270 CG GLN A 21 -4.824 -25.994 8.082 1.00 0.00 C ATOM 271 CD GLN A 21 -3.697 -26.562 8.928 1.00 0.00 C ATOM 272 OE1 GLN A 21 -3.338 -26.014 9.969 1.00 0.00 O ATOM 273 NE2 GLN A 21 -3.070 -27.635 8.488 1.00 0.00 N ATOM 0 H GLN A 21 -4.350 -25.512 5.003 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.417 -24.457 6.806 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.424 -24.837 6.894 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -4.277 -23.894 8.100 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -5.690 -25.795 8.713 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -5.132 -26.731 7.341 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.373 -28.084 7.624 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -2.282 -28.016 9.012 1.00 0.00 H new ATOM 282 N GLY A 22 -5.561 -22.571 4.604 1.00 0.00 N ATOM 283 CA GLY A 22 -5.800 -21.274 4.013 1.00 0.00 C ATOM 284 C GLY A 22 -4.485 -20.740 3.487 1.00 0.00 C ATOM 285 O GLY A 22 -3.848 -19.922 4.148 1.00 0.00 O ATOM 0 H GLY A 22 -5.475 -23.305 3.901 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.528 -21.353 3.205 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.218 -20.591 4.753 1.00 0.00 H new ATOM 289 N PHE A 23 -4.119 -21.192 2.281 1.00 0.00 N ATOM 290 CA PHE A 23 -2.903 -20.791 1.566 1.00 0.00 C ATOM 291 C PHE A 23 -1.644 -21.163 2.366 1.00 0.00 C ATOM 292 O PHE A 23 -1.720 -21.807 3.417 1.00 0.00 O ATOM 293 CB PHE A 23 -2.961 -19.286 1.213 1.00 0.00 C ATOM 294 CG PHE A 23 -4.163 -18.825 0.401 1.00 0.00 C ATOM 295 CD1 PHE A 23 -5.422 -18.624 1.009 1.00 0.00 C ATOM 296 CD2 PHE A 23 -4.012 -18.538 -0.971 1.00 0.00 C ATOM 297 CE1 PHE A 23 -6.520 -18.195 0.248 1.00 0.00 C ATOM 298 CE2 PHE A 23 -5.113 -18.099 -1.726 1.00 0.00 C ATOM 299 CZ PHE A 23 -6.374 -17.944 -1.120 1.00 0.00 C ATOM 0 H PHE A 23 -4.679 -21.868 1.761 1.00 0.00 H new ATOM 0 HA PHE A 23 -2.846 -21.342 0.627 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.938 -18.716 2.142 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.057 -19.030 0.660 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -5.540 -18.802 2.068 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -3.048 -18.656 -1.443 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.481 -18.058 0.720 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -4.991 -17.879 -2.776 1.00 0.00 H new ATOM 0 HZ PHE A 23 -7.224 -17.633 -1.709 1.00 0.00 H new ATOM 309 N GLY A 24 -0.470 -20.779 1.865 1.00 0.00 N ATOM 310 CA GLY A 24 0.758 -20.817 2.647 1.00 0.00 C ATOM 311 C GLY A 24 0.916 -19.539 3.453 1.00 0.00 C ATOM 312 O GLY A 24 0.946 -19.582 4.677 1.00 0.00 O ATOM 0 H GLY A 24 -0.347 -20.436 0.912 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.743 -21.677 3.317 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.614 -20.944 1.984 1.00 0.00 H new ATOM 316 N PHE A 25 1.053 -18.405 2.761 1.00 0.00 N ATOM 317 CA PHE A 25 1.340 -17.100 3.356 1.00 0.00 C ATOM 318 C PHE A 25 0.274 -16.627 4.354 1.00 0.00 C ATOM 319 O PHE A 25 -0.823 -17.195 4.452 1.00 0.00 O ATOM 320 CB PHE A 25 1.524 -16.057 2.243 1.00 0.00 C ATOM 321 CG PHE A 25 0.236 -15.465 1.715 1.00 0.00 C ATOM 322 CD1 PHE A 25 -0.619 -16.250 0.928 1.00 0.00 C ATOM 323 CD2 PHE A 25 -0.123 -14.138 2.021 1.00 0.00 C ATOM 324 CE1 PHE A 25 -1.828 -15.719 0.471 1.00 0.00 C ATOM 325 CE2 PHE A 25 -1.309 -13.589 1.506 1.00 0.00 C ATOM 326 CZ PHE A 25 -2.161 -14.379 0.723 1.00 0.00 C ATOM 0 H PHE A 25 0.965 -18.370 1.745 1.00 0.00 H new ATOM 0 HA PHE A 25 2.260 -17.213 3.930 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.152 -15.250 2.620 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.062 -16.519 1.415 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.343 -17.263 0.676 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.516 -13.540 2.654 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.513 -16.346 -0.081 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.564 -12.560 1.713 1.00 0.00 H new ATOM 0 HZ PHE A 25 -3.069 -13.959 0.316 1.00 0.00 H new ATOM 336 N THR A 26 0.587 -15.539 5.056 1.00 0.00 N ATOM 337 CA THR A 26 -0.239 -14.953 6.101 1.00 0.00 C ATOM 338 C THR A 26 -0.371 -13.438 5.864 1.00 0.00 C ATOM 339 O THR A 26 0.483 -12.823 5.213 1.00 0.00 O ATOM 340 CB THR A 26 0.394 -15.316 7.465 1.00 0.00 C ATOM 341 OG1 THR A 26 1.740 -14.879 7.545 1.00 0.00 O ATOM 342 CG2 THR A 26 0.415 -16.835 7.691 1.00 0.00 C ATOM 0 H THR A 26 1.455 -15.026 4.904 1.00 0.00 H new ATOM 0 HA THR A 26 -1.255 -15.349 6.090 1.00 0.00 H new ATOM 0 HB THR A 26 -0.221 -14.821 8.217 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.111 -15.122 8.419 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.867 -17.053 8.659 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.605 -17.220 7.671 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.998 -17.312 6.903 1.00 0.00 H new ATOM 350 N ILE A 27 -1.408 -12.808 6.423 1.00 0.00 N ATOM 351 CA ILE A 27 -1.586 -11.354 6.449 1.00 0.00 C ATOM 352 C ILE A 27 -1.739 -10.907 7.894 1.00 0.00 C ATOM 353 O ILE A 27 -2.078 -11.703 8.769 1.00 0.00 O ATOM 354 CB ILE A 27 -2.784 -10.874 5.589 1.00 0.00 C ATOM 355 CG1 ILE A 27 -4.124 -11.550 5.970 1.00 0.00 C ATOM 356 CG2 ILE A 27 -2.426 -11.033 4.108 1.00 0.00 C ATOM 357 CD1 ILE A 27 -5.360 -10.948 5.285 1.00 0.00 C ATOM 0 H ILE A 27 -2.168 -13.310 6.883 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.702 -10.897 6.004 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.959 -9.818 5.795 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.066 -12.609 5.720 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.255 -11.484 7.050 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.262 -10.698 3.494 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.545 -10.433 3.880 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.216 -12.081 3.895 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.253 -11.483 5.610 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.449 -9.896 5.555 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.257 -11.038 4.204 1.00 0.00 H new ATOM 369 N ALA A 28 -1.538 -9.614 8.121 1.00 0.00 N ATOM 370 CA ALA A 28 -1.793 -8.955 9.385 1.00 0.00 C ATOM 371 C ALA A 28 -2.265 -7.533 9.089 1.00 0.00 C ATOM 372 O ALA A 28 -1.963 -6.984 8.025 1.00 0.00 O ATOM 373 CB ALA A 28 -0.507 -8.955 10.215 1.00 0.00 C ATOM 0 H ALA A 28 -1.182 -8.981 7.405 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.563 -9.473 9.956 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.690 -8.460 11.169 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.189 -9.982 10.394 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.275 -8.422 9.674 1.00 0.00 H new ATOM 379 N ASP A 29 -2.961 -6.936 10.054 1.00 0.00 N ATOM 380 CA ASP A 29 -3.573 -5.616 9.946 1.00 0.00 C ATOM 381 C ASP A 29 -2.453 -4.576 9.943 1.00 0.00 C ATOM 382 O ASP A 29 -1.668 -4.501 10.891 1.00 0.00 O ATOM 383 CB ASP A 29 -4.595 -5.443 11.090 1.00 0.00 C ATOM 384 CG ASP A 29 -4.812 -3.998 11.547 1.00 0.00 C ATOM 385 OD1 ASP A 29 -4.094 -3.487 12.432 1.00 0.00 O ATOM 386 OD2 ASP A 29 -5.787 -3.386 11.056 1.00 0.00 O ATOM 0 H ASP A 29 -3.119 -7.373 10.962 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.132 -5.488 9.019 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.552 -5.855 10.768 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.265 -6.033 11.945 1.00 0.00 H new ATOM 391 N SER A 30 -2.290 -3.862 8.833 1.00 0.00 N ATOM 392 CA SER A 30 -1.308 -2.793 8.671 1.00 0.00 C ATOM 393 C SER A 30 -2.057 -1.472 8.877 1.00 0.00 C ATOM 394 O SER A 30 -3.293 -1.453 8.864 1.00 0.00 O ATOM 395 CB SER A 30 -0.639 -2.935 7.285 1.00 0.00 C ATOM 396 OG SER A 30 -1.323 -2.214 6.279 1.00 0.00 O ATOM 0 H SER A 30 -2.854 -4.015 7.997 1.00 0.00 H new ATOM 0 HA SER A 30 -0.496 -2.836 9.397 1.00 0.00 H new ATOM 0 HB2 SER A 30 0.391 -2.583 7.344 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.600 -3.989 7.010 1.00 0.00 H new ATOM 0 HG SER A 30 -2.130 -2.705 6.016 1.00 0.00 H new ATOM 402 N PRO A 31 -1.342 -0.350 9.015 1.00 0.00 N ATOM 403 CA PRO A 31 -1.963 0.943 9.248 1.00 0.00 C ATOM 404 C PRO A 31 -2.805 1.466 8.078 1.00 0.00 C ATOM 405 O PRO A 31 -3.487 2.475 8.259 1.00 0.00 O ATOM 406 CB PRO A 31 -0.821 1.895 9.607 1.00 0.00 C ATOM 407 CG PRO A 31 0.458 1.190 9.157 1.00 0.00 C ATOM 408 CD PRO A 31 0.101 -0.282 9.147 1.00 0.00 C ATOM 0 HA PRO A 31 -2.693 0.857 10.053 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.938 2.855 9.103 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -0.801 2.097 10.678 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.770 1.529 8.169 1.00 0.00 H new ATOM 0 HG3 PRO A 31 1.283 1.393 9.839 1.00 0.00 H new ATOM 0 HD2 PRO A 31 0.592 -0.795 8.320 1.00 0.00 H new ATOM 0 HD3 PRO A 31 0.431 -0.768 10.065 1.00 0.00 H new ATOM 416 N THR A 32 -2.780 0.837 6.902 1.00 0.00 N ATOM 417 CA THR A 32 -3.366 1.383 5.680 1.00 0.00 C ATOM 418 C THR A 32 -4.302 0.418 4.954 1.00 0.00 C ATOM 419 O THR A 32 -4.897 0.797 3.942 1.00 0.00 O ATOM 420 CB THR A 32 -2.223 1.822 4.756 1.00 0.00 C ATOM 421 OG1 THR A 32 -1.131 0.914 4.757 1.00 0.00 O ATOM 422 CG2 THR A 32 -1.665 3.172 5.178 1.00 0.00 C ATOM 0 H THR A 32 -2.347 -0.077 6.771 1.00 0.00 H new ATOM 0 HA THR A 32 -3.993 2.228 5.963 1.00 0.00 H new ATOM 0 HB THR A 32 -2.665 1.865 3.760 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.433 1.241 4.151 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.856 3.458 4.505 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.455 3.922 5.135 1.00 0.00 H new ATOM 0 HG23 THR A 32 -1.283 3.105 6.197 1.00 0.00 H new ATOM 430 N GLY A 33 -4.424 -0.816 5.428 1.00 0.00 N ATOM 431 CA GLY A 33 -4.967 -1.915 4.658 1.00 0.00 C ATOM 432 C GLY A 33 -4.418 -3.213 5.229 1.00 0.00 C ATOM 433 O GLY A 33 -3.694 -3.209 6.236 1.00 0.00 O ATOM 0 H GLY A 33 -4.143 -1.079 6.372 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.056 -1.910 4.704 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.692 -1.816 3.608 1.00 0.00 H new ATOM 437 N GLN A 34 -4.683 -4.329 4.573 1.00 0.00 N ATOM 438 CA GLN A 34 -4.019 -5.579 4.874 1.00 0.00 C ATOM 439 C GLN A 34 -2.712 -5.624 4.123 1.00 0.00 C ATOM 440 O GLN A 34 -2.616 -5.162 2.983 1.00 0.00 O ATOM 441 CB GLN A 34 -4.915 -6.768 4.513 1.00 0.00 C ATOM 442 CG GLN A 34 -6.174 -6.758 5.384 1.00 0.00 C ATOM 443 CD GLN A 34 -5.823 -6.548 6.852 1.00 0.00 C ATOM 444 OE1 GLN A 34 -5.124 -7.362 7.451 1.00 0.00 O ATOM 445 NE2 GLN A 34 -6.235 -5.436 7.436 1.00 0.00 N ATOM 0 H GLN A 34 -5.365 -4.391 3.817 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.818 -5.645 5.943 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.191 -6.719 3.460 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.371 -7.701 4.657 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.845 -5.966 5.050 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.709 -7.700 5.266 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -6.815 -4.774 6.920 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.973 -5.240 8.402 1.00 0.00 H new ATOM 454 N ARG A 35 -1.702 -6.202 4.773 1.00 0.00 N ATOM 455 CA ARG A 35 -0.447 -6.490 4.122 1.00 0.00 C ATOM 456 C ARG A 35 -0.007 -7.881 4.471 1.00 0.00 C ATOM 457 O ARG A 35 -0.303 -8.395 5.557 1.00 0.00 O ATOM 458 CB ARG A 35 0.622 -5.477 4.519 1.00 0.00 C ATOM 459 CG ARG A 35 0.376 -4.103 3.909 1.00 0.00 C ATOM 460 CD ARG A 35 1.542 -3.194 4.285 1.00 0.00 C ATOM 461 NE ARG A 35 1.118 -1.885 4.796 1.00 0.00 N ATOM 462 CZ ARG A 35 1.953 -0.957 5.263 1.00 0.00 C ATOM 463 NH1 ARG A 35 3.268 -1.132 5.196 1.00 0.00 N ATOM 464 NH2 ARG A 35 1.478 0.164 5.783 1.00 0.00 N ATOM 0 H ARG A 35 -1.740 -6.477 5.755 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.589 -6.417 3.044 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.650 -5.389 5.605 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.599 -5.842 4.203 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.289 -4.179 2.825 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.563 -3.688 4.276 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.152 -3.691 5.040 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.175 -3.047 3.410 1.00 0.00 H new ATOM 0 HE ARG A 35 0.121 -1.672 4.794 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.649 -1.984 4.784 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.897 -0.415 5.557 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.471 0.319 5.827 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.119 0.873 6.140 1.00 0.00 H new ATOM 478 N VAL A 36 0.781 -8.435 3.569 1.00 0.00 N ATOM 479 CA VAL A 36 1.412 -9.728 3.732 1.00 0.00 C ATOM 480 C VAL A 36 2.340 -9.639 4.937 1.00 0.00 C ATOM 481 O VAL A 36 3.153 -8.714 5.044 1.00 0.00 O ATOM 482 CB VAL A 36 2.136 -10.083 2.431 1.00 0.00 C ATOM 483 CG1 VAL A 36 2.912 -11.394 2.562 1.00 0.00 C ATOM 484 CG2 VAL A 36 1.137 -10.184 1.272 1.00 0.00 C ATOM 0 H VAL A 36 1.005 -7.986 2.681 1.00 0.00 H new ATOM 0 HA VAL A 36 0.695 -10.526 3.922 1.00 0.00 H new ATOM 0 HB VAL A 36 2.848 -9.285 2.223 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.414 -11.615 1.620 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.654 -11.300 3.355 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.222 -12.202 2.804 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.668 -10.437 0.355 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.402 -10.959 1.491 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.629 -9.228 1.145 1.00 0.00 H new ATOM 494 N LYS A 37 2.152 -10.561 5.875 1.00 0.00 N ATOM 495 CA LYS A 37 2.971 -10.711 7.062 1.00 0.00 C ATOM 496 C LYS A 37 4.230 -11.481 6.687 1.00 0.00 C ATOM 497 O LYS A 37 5.328 -10.994 6.929 1.00 0.00 O ATOM 498 CB LYS A 37 2.128 -11.414 8.135 1.00 0.00 C ATOM 499 CG LYS A 37 2.930 -11.848 9.373 1.00 0.00 C ATOM 500 CD LYS A 37 2.009 -12.545 10.386 1.00 0.00 C ATOM 501 CE LYS A 37 2.619 -12.509 11.794 1.00 0.00 C ATOM 502 NZ LYS A 37 3.439 -13.693 12.122 1.00 0.00 N ATOM 0 H LYS A 37 1.398 -11.246 5.824 1.00 0.00 H new ATOM 0 HA LYS A 37 3.291 -9.752 7.470 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.327 -10.745 8.450 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.656 -12.292 7.694 1.00 0.00 H new ATOM 0 HG2 LYS A 37 3.733 -12.523 9.077 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.398 -10.979 9.835 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.035 -12.056 10.395 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.844 -13.579 10.083 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.235 -11.615 11.890 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.815 -12.422 12.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 3.817 -13.597 13.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.852 -14.549 12.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.227 -13.767 11.448 1.00 0.00 H new ATOM 516 N GLN A 38 4.071 -12.684 6.137 1.00 0.00 N ATOM 517 CA GLN A 38 5.142 -13.637 5.897 1.00 0.00 C ATOM 518 C GLN A 38 4.653 -14.564 4.792 1.00 0.00 C ATOM 519 O GLN A 38 3.450 -14.817 4.701 1.00 0.00 O ATOM 520 CB GLN A 38 5.376 -14.393 7.221 1.00 0.00 C ATOM 521 CG GLN A 38 6.632 -15.261 7.314 1.00 0.00 C ATOM 522 CD GLN A 38 6.799 -15.846 8.726 1.00 0.00 C ATOM 523 OE1 GLN A 38 5.867 -15.878 9.534 1.00 0.00 O ATOM 524 NE2 GLN A 38 7.972 -16.341 9.077 1.00 0.00 N ATOM 0 H GLN A 38 3.159 -13.029 5.837 1.00 0.00 H new ATOM 0 HA GLN A 38 6.081 -13.178 5.588 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.410 -13.661 8.027 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.510 -15.029 7.405 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.573 -16.071 6.587 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.509 -14.666 7.058 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.751 -16.321 8.419 1.00 0.00 H new ATOM 0 HE22 GLN A 38 8.099 -16.743 10.006 1.00 0.00 H new ATOM 533 N ILE A 39 5.564 -15.088 3.973 1.00 0.00 N ATOM 534 CA ILE A 39 5.261 -15.977 2.854 1.00 0.00 C ATOM 535 C ILE A 39 6.037 -17.264 3.080 1.00 0.00 C ATOM 536 O ILE A 39 7.221 -17.230 3.422 1.00 0.00 O ATOM 537 CB ILE A 39 5.560 -15.324 1.487 1.00 0.00 C ATOM 538 CG1 ILE A 39 4.830 -13.971 1.354 1.00 0.00 C ATOM 539 CG2 ILE A 39 5.148 -16.304 0.369 1.00 0.00 C ATOM 540 CD1 ILE A 39 4.930 -13.313 -0.026 1.00 0.00 C ATOM 0 H ILE A 39 6.561 -14.900 4.073 1.00 0.00 H new ATOM 0 HA ILE A 39 4.193 -16.193 2.820 1.00 0.00 H new ATOM 0 HB ILE A 39 6.627 -15.117 1.402 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.777 -14.119 1.594 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.233 -13.283 2.098 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.354 -15.855 -0.603 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.716 -17.229 0.469 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.083 -16.521 0.450 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.386 -12.369 -0.019 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.977 -13.127 -0.265 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.498 -13.975 -0.777 1.00 0.00 H new ATOM 552 N LEU A 40 5.335 -18.386 2.921 1.00 0.00 N ATOM 553 CA LEU A 40 5.768 -19.694 3.386 1.00 0.00 C ATOM 554 C LEU A 40 5.795 -20.672 2.206 1.00 0.00 C ATOM 555 O LEU A 40 6.852 -21.228 1.906 1.00 0.00 O ATOM 556 CB LEU A 40 4.862 -20.159 4.549 1.00 0.00 C ATOM 557 CG LEU A 40 4.683 -19.161 5.722 1.00 0.00 C ATOM 558 CD1 LEU A 40 3.703 -19.724 6.752 1.00 0.00 C ATOM 559 CD2 LEU A 40 5.983 -18.817 6.462 1.00 0.00 C ATOM 0 H LEU A 40 4.429 -18.406 2.454 1.00 0.00 H new ATOM 0 HA LEU A 40 6.783 -19.648 3.781 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.877 -20.391 4.144 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.269 -21.088 4.949 1.00 0.00 H new ATOM 0 HG LEU A 40 4.310 -18.247 5.259 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.587 -19.013 7.570 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.736 -19.894 6.279 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.087 -20.667 7.142 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.768 -18.114 7.267 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.415 -19.726 6.880 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.690 -18.366 5.765 1.00 0.00 H new ATOM 571 N ASP A 41 4.664 -20.873 1.525 1.00 0.00 N ATOM 572 CA ASP A 41 4.527 -21.777 0.376 1.00 0.00 C ATOM 573 C ASP A 41 4.869 -21.036 -0.921 1.00 0.00 C ATOM 574 O ASP A 41 3.995 -20.465 -1.568 1.00 0.00 O ATOM 575 CB ASP A 41 3.099 -22.346 0.309 1.00 0.00 C ATOM 576 CG ASP A 41 2.867 -23.328 -0.844 1.00 0.00 C ATOM 577 OD1 ASP A 41 3.812 -23.646 -1.610 1.00 0.00 O ATOM 578 OD2 ASP A 41 1.707 -23.766 -1.010 1.00 0.00 O ATOM 0 H ASP A 41 3.793 -20.399 1.763 1.00 0.00 H new ATOM 0 HA ASP A 41 5.223 -22.607 0.498 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.876 -22.849 1.250 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.395 -21.519 0.215 1.00 0.00 H new ATOM 583 N ILE A 42 6.147 -21.026 -1.299 1.00 0.00 N ATOM 584 CA ILE A 42 6.658 -20.272 -2.450 1.00 0.00 C ATOM 585 C ILE A 42 5.960 -20.672 -3.760 1.00 0.00 C ATOM 586 O ILE A 42 5.713 -19.828 -4.626 1.00 0.00 O ATOM 587 CB ILE A 42 8.194 -20.464 -2.514 1.00 0.00 C ATOM 588 CG1 ILE A 42 8.833 -19.695 -1.336 1.00 0.00 C ATOM 589 CG2 ILE A 42 8.782 -20.008 -3.864 1.00 0.00 C ATOM 590 CD1 ILE A 42 10.303 -20.038 -1.083 1.00 0.00 C ATOM 0 H ILE A 42 6.871 -21.550 -0.807 1.00 0.00 H new ATOM 0 HA ILE A 42 6.435 -19.213 -2.321 1.00 0.00 H new ATOM 0 HB ILE A 42 8.422 -21.527 -2.431 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.750 -18.625 -1.528 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.263 -19.902 -0.430 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.861 -20.162 -3.861 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.335 -20.589 -4.671 1.00 0.00 H new ATOM 0 HG23 ILE A 42 8.567 -18.950 -4.016 1.00 0.00 H new ATOM 0 HD11 ILE A 42 10.673 -19.454 -0.240 1.00 0.00 H new ATOM 0 HD12 ILE A 42 10.395 -21.100 -0.857 1.00 0.00 H new ATOM 0 HD13 ILE A 42 10.889 -19.804 -1.972 1.00 0.00 H new ATOM 602 N GLN A 43 5.673 -21.962 -3.935 1.00 0.00 N ATOM 603 CA GLN A 43 4.965 -22.452 -5.110 1.00 0.00 C ATOM 604 C GLN A 43 3.483 -22.067 -5.062 1.00 0.00 C ATOM 605 O GLN A 43 2.901 -21.767 -6.102 1.00 0.00 O ATOM 606 CB GLN A 43 5.126 -23.974 -5.214 1.00 0.00 C ATOM 607 CG GLN A 43 6.366 -24.380 -6.023 1.00 0.00 C ATOM 608 CD GLN A 43 6.327 -25.864 -6.397 1.00 0.00 C ATOM 609 OE1 GLN A 43 5.344 -26.338 -6.954 1.00 0.00 O ATOM 610 NE2 GLN A 43 7.358 -26.640 -6.110 1.00 0.00 N ATOM 0 H GLN A 43 5.925 -22.691 -3.268 1.00 0.00 H new ATOM 0 HA GLN A 43 5.398 -21.987 -5.996 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.195 -24.398 -4.212 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.237 -24.399 -5.680 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.425 -23.776 -6.929 1.00 0.00 H new ATOM 0 HG3 GLN A 43 7.265 -24.173 -5.442 1.00 0.00 H new ATOM 0 HE21 GLN A 43 8.178 -26.248 -5.646 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.334 -27.631 -6.352 1.00 0.00 H new ATOM 619 N GLY A 44 2.867 -22.065 -3.879 1.00 0.00 N ATOM 620 CA GLY A 44 1.450 -21.779 -3.708 1.00 0.00 C ATOM 621 C GLY A 44 1.144 -20.287 -3.628 1.00 0.00 C ATOM 622 O GLY A 44 -0.034 -19.921 -3.636 1.00 0.00 O ATOM 0 H GLY A 44 3.349 -22.265 -3.003 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.895 -22.213 -4.540 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.095 -22.265 -2.800 1.00 0.00 H new ATOM 626 N CYS A 45 2.149 -19.416 -3.519 1.00 0.00 N ATOM 627 CA CYS A 45 1.980 -17.971 -3.584 1.00 0.00 C ATOM 628 C CYS A 45 3.021 -17.396 -4.574 1.00 0.00 C ATOM 629 O CYS A 45 3.940 -16.694 -4.156 1.00 0.00 O ATOM 630 CB CYS A 45 1.985 -17.327 -2.177 1.00 0.00 C ATOM 631 SG CYS A 45 1.524 -18.453 -0.816 1.00 0.00 S ATOM 0 H CYS A 45 3.118 -19.704 -3.381 1.00 0.00 H new ATOM 0 HA CYS A 45 0.995 -17.717 -3.975 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.980 -16.929 -1.979 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.298 -16.481 -2.178 1.00 0.00 H new ATOM 0 HG CYS A 45 2.356 -19.451 -0.778 1.00 0.00 H new ATOM 637 N PRO A 46 2.957 -17.726 -5.877 1.00 0.00 N ATOM 638 CA PRO A 46 4.058 -17.471 -6.798 1.00 0.00 C ATOM 639 C PRO A 46 4.111 -16.009 -7.238 1.00 0.00 C ATOM 640 O PRO A 46 3.123 -15.469 -7.732 1.00 0.00 O ATOM 641 CB PRO A 46 3.818 -18.408 -7.982 1.00 0.00 C ATOM 642 CG PRO A 46 2.296 -18.515 -8.028 1.00 0.00 C ATOM 643 CD PRO A 46 1.915 -18.489 -6.546 1.00 0.00 C ATOM 0 HA PRO A 46 5.022 -17.657 -6.325 1.00 0.00 H new ATOM 0 HB2 PRO A 46 4.223 -18.000 -8.908 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.287 -19.380 -7.830 1.00 0.00 H new ATOM 0 HG2 PRO A 46 1.848 -17.687 -8.576 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.969 -19.434 -8.515 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.939 -18.026 -6.402 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.851 -19.499 -6.142 1.00 0.00 H new ATOM 651 N GLY A 47 5.251 -15.344 -7.062 1.00 0.00 N ATOM 652 CA GLY A 47 5.366 -13.918 -7.348 1.00 0.00 C ATOM 653 C GLY A 47 4.798 -13.046 -6.232 1.00 0.00 C ATOM 654 O GLY A 47 4.845 -11.820 -6.346 1.00 0.00 O ATOM 0 H GLY A 47 6.111 -15.773 -6.721 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.415 -13.666 -7.502 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.845 -13.695 -8.279 1.00 0.00 H new ATOM 658 N LEU A 48 4.284 -13.638 -5.153 1.00 0.00 N ATOM 659 CA LEU A 48 3.753 -12.913 -4.010 1.00 0.00 C ATOM 660 C LEU A 48 4.917 -12.211 -3.299 1.00 0.00 C ATOM 661 O LEU A 48 6.004 -12.792 -3.193 1.00 0.00 O ATOM 662 CB LEU A 48 3.034 -13.931 -3.111 1.00 0.00 C ATOM 663 CG LEU A 48 1.917 -13.372 -2.216 1.00 0.00 C ATOM 664 CD1 LEU A 48 1.559 -14.243 -1.004 1.00 0.00 C ATOM 665 CD2 LEU A 48 1.964 -11.926 -1.781 1.00 0.00 C ATOM 0 H LEU A 48 4.226 -14.651 -5.052 1.00 0.00 H new ATOM 0 HA LEU A 48 3.036 -12.144 -4.297 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.609 -14.709 -3.745 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.777 -14.411 -2.474 1.00 0.00 H new ATOM 0 HG LEU A 48 1.125 -13.411 -2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.762 -13.765 -0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.224 -15.222 -1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.437 -14.362 -0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.099 -11.706 -1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.877 -11.746 -1.213 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.951 -11.281 -2.660 1.00 0.00 H new ATOM 677 N CYS A 49 4.728 -10.984 -2.812 1.00 0.00 N ATOM 678 CA CYS A 49 5.773 -10.207 -2.152 1.00 0.00 C ATOM 679 C CYS A 49 5.326 -9.793 -0.748 1.00 0.00 C ATOM 680 O CYS A 49 4.137 -9.645 -0.454 1.00 0.00 O ATOM 681 CB CYS A 49 6.204 -8.984 -2.983 1.00 0.00 C ATOM 682 SG CYS A 49 5.565 -8.949 -4.688 1.00 0.00 S ATOM 0 H CYS A 49 3.833 -10.498 -2.866 1.00 0.00 H new ATOM 0 HA CYS A 49 6.650 -10.848 -2.063 1.00 0.00 H new ATOM 0 HB2 CYS A 49 5.876 -8.080 -2.469 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.293 -8.953 -3.018 1.00 0.00 H new ATOM 0 HG CYS A 49 4.284 -8.727 -4.667 1.00 0.00 H new ATOM 688 N GLU A 50 6.288 -9.627 0.153 1.00 0.00 N ATOM 689 CA GLU A 50 6.002 -9.317 1.541 1.00 0.00 C ATOM 690 C GLU A 50 5.649 -7.836 1.642 1.00 0.00 C ATOM 691 O GLU A 50 6.143 -7.006 0.873 1.00 0.00 O ATOM 692 CB GLU A 50 7.194 -9.701 2.427 1.00 0.00 C ATOM 693 CG GLU A 50 7.403 -11.224 2.451 1.00 0.00 C ATOM 694 CD GLU A 50 8.840 -11.586 2.795 1.00 0.00 C ATOM 695 OE1 GLU A 50 9.692 -11.643 1.886 1.00 0.00 O ATOM 696 OE2 GLU A 50 9.113 -11.838 3.993 1.00 0.00 O ATOM 0 H GLU A 50 7.282 -9.704 -0.061 1.00 0.00 H new ATOM 0 HA GLU A 50 5.152 -9.897 1.899 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.096 -9.214 2.058 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.028 -9.338 3.441 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.729 -11.673 3.181 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.144 -11.643 1.478 1.00 0.00 H new ATOM 703 N GLY A 51 4.782 -7.486 2.595 1.00 0.00 N ATOM 704 CA GLY A 51 4.336 -6.113 2.761 1.00 0.00 C ATOM 705 C GLY A 51 3.403 -5.612 1.652 1.00 0.00 C ATOM 706 O GLY A 51 3.073 -4.427 1.682 1.00 0.00 O ATOM 0 H GLY A 51 4.377 -8.142 3.263 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.823 -6.024 3.719 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.210 -5.463 2.805 1.00 0.00 H new ATOM 710 N ASP A 52 2.985 -6.455 0.699 1.00 0.00 N ATOM 711 CA ASP A 52 2.128 -6.045 -0.418 1.00 0.00 C ATOM 712 C ASP A 52 0.781 -5.580 0.121 1.00 0.00 C ATOM 713 O ASP A 52 0.147 -6.321 0.875 1.00 0.00 O ATOM 714 CB ASP A 52 1.902 -7.201 -1.409 1.00 0.00 C ATOM 715 CG ASP A 52 3.028 -7.396 -2.425 1.00 0.00 C ATOM 716 OD1 ASP A 52 3.972 -6.576 -2.448 1.00 0.00 O ATOM 717 OD2 ASP A 52 2.943 -8.371 -3.208 1.00 0.00 O ATOM 0 H ASP A 52 3.233 -7.444 0.682 1.00 0.00 H new ATOM 0 HA ASP A 52 2.628 -5.233 -0.946 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.774 -8.125 -0.846 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.971 -7.024 -1.947 1.00 0.00 H new ATOM 722 N LEU A 53 0.357 -4.370 -0.257 1.00 0.00 N ATOM 723 CA LEU A 53 -0.943 -3.777 0.069 1.00 0.00 C ATOM 724 C LEU A 53 -1.998 -4.426 -0.808 1.00 0.00 C ATOM 725 O LEU A 53 -1.863 -4.366 -2.026 1.00 0.00 O ATOM 726 CB LEU A 53 -0.915 -2.262 -0.236 1.00 0.00 C ATOM 727 CG LEU A 53 -1.516 -1.306 0.795 1.00 0.00 C ATOM 728 CD1 LEU A 53 -3.024 -1.172 0.738 1.00 0.00 C ATOM 729 CD2 LEU A 53 -1.158 -1.630 2.245 1.00 0.00 C ATOM 0 H LEU A 53 0.936 -3.750 -0.823 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.165 -3.934 1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.124 -1.973 -0.392 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.435 -2.103 -1.181 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.053 -0.365 0.497 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.357 -0.474 1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.319 -0.800 -0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.483 -2.146 0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.626 -0.902 2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.516 -2.629 2.494 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.076 -1.591 2.370 1.00 0.00 H new ATOM 741 N ILE A 54 -3.037 -5.028 -0.240 1.00 0.00 N ATOM 742 CA ILE A 54 -4.053 -5.737 -1.021 1.00 0.00 C ATOM 743 C ILE A 54 -5.147 -4.728 -1.413 1.00 0.00 C ATOM 744 O ILE A 54 -5.418 -3.782 -0.672 1.00 0.00 O ATOM 745 CB ILE A 54 -4.529 -6.980 -0.223 1.00 0.00 C ATOM 746 CG1 ILE A 54 -3.289 -7.808 0.217 1.00 0.00 C ATOM 747 CG2 ILE A 54 -5.488 -7.835 -1.073 1.00 0.00 C ATOM 748 CD1 ILE A 54 -3.573 -9.126 0.936 1.00 0.00 C ATOM 0 H ILE A 54 -3.201 -5.041 0.767 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.670 -6.138 -1.959 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.074 -6.656 0.663 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.691 -8.024 -0.668 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.678 -7.187 0.871 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.811 -8.702 -0.496 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.358 -7.239 -1.350 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.975 -8.170 -1.975 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.631 -9.611 1.192 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.139 -8.929 1.846 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.152 -9.779 0.283 1.00 0.00 H new ATOM 760 N VAL A 55 -5.752 -4.890 -2.593 1.00 0.00 N ATOM 761 CA VAL A 55 -6.669 -3.910 -3.177 1.00 0.00 C ATOM 762 C VAL A 55 -7.958 -4.575 -3.628 1.00 0.00 C ATOM 763 O VAL A 55 -9.053 -4.134 -3.259 1.00 0.00 O ATOM 764 CB VAL A 55 -5.969 -3.191 -4.351 1.00 0.00 C ATOM 765 CG1 VAL A 55 -6.987 -2.388 -5.176 1.00 0.00 C ATOM 766 CG2 VAL A 55 -4.807 -2.318 -3.851 1.00 0.00 C ATOM 0 H VAL A 55 -5.616 -5.716 -3.176 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.935 -3.172 -2.420 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.536 -3.943 -5.011 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.475 -1.888 -5.999 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.744 -3.062 -5.576 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.464 -1.643 -4.540 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.332 -1.824 -4.699 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.188 -1.566 -3.159 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.076 -2.944 -3.340 1.00 0.00 H new ATOM 776 N GLU A 56 -7.838 -5.613 -4.445 1.00 0.00 N ATOM 777 CA GLU A 56 -8.965 -6.262 -5.085 1.00 0.00 C ATOM 778 C GLU A 56 -8.691 -7.746 -5.091 1.00 0.00 C ATOM 779 O GLU A 56 -7.602 -8.161 -5.477 1.00 0.00 O ATOM 780 CB GLU A 56 -9.143 -5.756 -6.522 1.00 0.00 C ATOM 781 CG GLU A 56 -10.134 -4.602 -6.588 1.00 0.00 C ATOM 782 CD GLU A 56 -10.376 -4.179 -8.041 1.00 0.00 C ATOM 783 OE1 GLU A 56 -11.023 -4.952 -8.792 1.00 0.00 O ATOM 784 OE2 GLU A 56 -9.904 -3.100 -8.452 1.00 0.00 O ATOM 0 H GLU A 56 -6.939 -6.031 -4.683 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.883 -6.038 -4.541 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.180 -5.433 -6.917 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.490 -6.572 -7.156 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.077 -4.899 -6.129 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.753 -3.756 -6.016 1.00 0.00 H new ATOM 791 N ILE A 57 -9.664 -8.543 -4.673 1.00 0.00 N ATOM 792 CA ILE A 57 -9.626 -9.985 -4.800 1.00 0.00 C ATOM 793 C ILE A 57 -10.772 -10.370 -5.708 1.00 0.00 C ATOM 794 O ILE A 57 -11.920 -10.046 -5.426 1.00 0.00 O ATOM 795 CB ILE A 57 -9.718 -10.661 -3.425 1.00 0.00 C ATOM 796 CG1 ILE A 57 -8.711 -9.959 -2.496 1.00 0.00 C ATOM 797 CG2 ILE A 57 -9.489 -12.176 -3.574 1.00 0.00 C ATOM 798 CD1 ILE A 57 -8.324 -10.759 -1.277 1.00 0.00 C ATOM 0 H ILE A 57 -10.514 -8.196 -4.229 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.682 -10.321 -5.228 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.707 -10.560 -2.979 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.810 -9.728 -3.065 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -9.136 -9.009 -2.172 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -9.555 -12.652 -2.596 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -10.248 -12.596 -4.234 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.501 -12.355 -3.998 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -7.612 -10.190 -0.679 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.213 -10.968 -0.682 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.867 -11.698 -1.588 1.00 0.00 H new ATOM 810 N ASN A 58 -10.443 -11.082 -6.781 1.00 0.00 N ATOM 811 CA ASN A 58 -11.375 -11.648 -7.746 1.00 0.00 C ATOM 812 C ASN A 58 -12.464 -10.649 -8.190 1.00 0.00 C ATOM 813 O ASN A 58 -13.646 -11.007 -8.225 1.00 0.00 O ATOM 814 CB ASN A 58 -12.002 -12.941 -7.197 1.00 0.00 C ATOM 815 CG ASN A 58 -11.000 -14.011 -6.818 1.00 0.00 C ATOM 816 OD1 ASN A 58 -10.043 -14.269 -7.550 1.00 0.00 O ATOM 817 ND2 ASN A 58 -11.226 -14.671 -5.696 1.00 0.00 N ATOM 0 H ASN A 58 -9.471 -11.289 -7.011 1.00 0.00 H new ATOM 0 HA ASN A 58 -10.797 -11.887 -8.639 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.602 -12.696 -6.321 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -12.682 -13.347 -7.946 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -10.598 -15.422 -5.411 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.029 -14.429 -5.115 1.00 0.00 H new ATOM 824 N GLN A 59 -12.087 -9.412 -8.523 1.00 0.00 N ATOM 825 CA GLN A 59 -12.963 -8.324 -8.915 1.00 0.00 C ATOM 826 C GLN A 59 -13.986 -7.892 -7.853 1.00 0.00 C ATOM 827 O GLN A 59 -15.067 -7.419 -8.198 1.00 0.00 O ATOM 828 CB GLN A 59 -13.522 -8.571 -10.332 1.00 0.00 C ATOM 829 CG GLN A 59 -13.317 -7.297 -11.155 1.00 0.00 C ATOM 830 CD GLN A 59 -14.165 -7.273 -12.425 1.00 0.00 C ATOM 831 OE1 GLN A 59 -15.392 -7.272 -12.387 1.00 0.00 O ATOM 832 NE2 GLN A 59 -13.537 -7.256 -13.586 1.00 0.00 N ATOM 0 H GLN A 59 -11.105 -9.135 -8.524 1.00 0.00 H new ATOM 0 HA GLN A 59 -12.354 -7.422 -8.977 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -13.012 -9.413 -10.801 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -14.581 -8.826 -10.284 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -13.563 -6.430 -10.542 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -12.264 -7.209 -11.424 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -12.517 -7.257 -13.614 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -14.071 -7.242 -14.455 1.00 0.00 H new ATOM 841 N GLN A 60 -13.633 -8.009 -6.572 1.00 0.00 N ATOM 842 CA GLN A 60 -14.304 -7.393 -5.438 1.00 0.00 C ATOM 843 C GLN A 60 -13.270 -6.492 -4.748 1.00 0.00 C ATOM 844 O GLN A 60 -12.130 -6.910 -4.528 1.00 0.00 O ATOM 845 CB GLN A 60 -14.891 -8.511 -4.551 1.00 0.00 C ATOM 846 CG GLN A 60 -15.045 -8.134 -3.074 1.00 0.00 C ATOM 847 CD GLN A 60 -15.977 -9.087 -2.325 1.00 0.00 C ATOM 848 OE1 GLN A 60 -16.998 -8.667 -1.794 1.00 0.00 O ATOM 849 NE2 GLN A 60 -15.659 -10.373 -2.271 1.00 0.00 N ATOM 0 H GLN A 60 -12.828 -8.567 -6.288 1.00 0.00 H new ATOM 0 HA GLN A 60 -15.150 -6.763 -5.712 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -15.867 -8.795 -4.944 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -14.250 -9.390 -4.624 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -14.065 -8.138 -2.596 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -15.432 -7.118 -2.999 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -14.805 -10.706 -2.718 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -16.268 -11.029 -1.782 1.00 0.00 H new ATOM 858 N ASN A 61 -13.643 -5.248 -4.442 1.00 0.00 N ATOM 859 CA ASN A 61 -12.782 -4.231 -3.841 1.00 0.00 C ATOM 860 C ASN A 61 -12.726 -4.394 -2.322 1.00 0.00 C ATOM 861 O ASN A 61 -13.726 -4.282 -1.615 1.00 0.00 O ATOM 862 CB ASN A 61 -13.288 -2.829 -4.203 1.00 0.00 C ATOM 863 CG ASN A 61 -12.488 -1.737 -3.510 1.00 0.00 C ATOM 864 OD1 ASN A 61 -13.011 -0.993 -2.693 1.00 0.00 O ATOM 865 ND2 ASN A 61 -11.203 -1.610 -3.777 1.00 0.00 N ATOM 0 H ASN A 61 -14.590 -4.910 -4.613 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.774 -4.359 -4.237 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.230 -2.691 -5.283 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.338 -2.740 -3.926 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.652 -0.894 -3.303 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.760 -2.227 -4.458 1.00 0.00 H new ATOM 872 N VAL A 62 -11.522 -4.602 -1.809 1.00 0.00 N ATOM 873 CA VAL A 62 -11.212 -4.956 -0.426 1.00 0.00 C ATOM 874 C VAL A 62 -10.267 -3.894 0.176 1.00 0.00 C ATOM 875 O VAL A 62 -9.764 -4.107 1.276 1.00 0.00 O ATOM 876 CB VAL A 62 -10.576 -6.366 -0.447 1.00 0.00 C ATOM 877 CG1 VAL A 62 -11.497 -7.405 -1.115 1.00 0.00 C ATOM 878 CG2 VAL A 62 -9.226 -6.452 -1.170 1.00 0.00 C ATOM 0 H VAL A 62 -10.681 -4.524 -2.381 1.00 0.00 H new ATOM 0 HA VAL A 62 -12.103 -4.977 0.201 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.423 -6.581 0.611 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -11.011 -8.380 -1.108 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -12.437 -7.464 -0.566 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -11.696 -7.106 -2.144 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.858 -7.477 -1.133 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.350 -6.148 -2.209 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.509 -5.792 -0.682 1.00 0.00 H new ATOM 888 N GLN A 63 -9.977 -2.775 -0.521 1.00 0.00 N ATOM 889 CA GLN A 63 -8.989 -1.771 -0.087 1.00 0.00 C ATOM 890 C GLN A 63 -9.214 -1.331 1.361 1.00 0.00 C ATOM 891 O GLN A 63 -8.250 -1.089 2.089 1.00 0.00 O ATOM 892 CB GLN A 63 -9.010 -0.503 -0.981 1.00 0.00 C ATOM 893 CG GLN A 63 -7.874 -0.399 -2.012 1.00 0.00 C ATOM 894 CD GLN A 63 -7.167 0.962 -2.022 1.00 0.00 C ATOM 895 OE1 GLN A 63 -7.665 1.940 -2.568 1.00 0.00 O ATOM 896 NE2 GLN A 63 -5.974 1.064 -1.461 1.00 0.00 N ATOM 0 H GLN A 63 -10.427 -2.544 -1.407 1.00 0.00 H new ATOM 0 HA GLN A 63 -8.021 -2.264 -0.175 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.962 -0.470 -1.511 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -8.973 0.375 -0.336 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.139 -1.178 -1.808 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -8.279 -0.595 -3.005 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.554 0.254 -1.005 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.474 1.953 -1.484 1.00 0.00 H new ATOM 905 N ASN A 64 -10.478 -1.199 1.773 1.00 0.00 N ATOM 906 CA ASN A 64 -10.823 -0.603 3.050 1.00 0.00 C ATOM 907 C ASN A 64 -11.497 -1.596 3.998 1.00 0.00 C ATOM 908 O ASN A 64 -12.037 -1.195 5.030 1.00 0.00 O ATOM 909 CB ASN A 64 -11.691 0.622 2.765 1.00 0.00 C ATOM 910 CG ASN A 64 -11.418 1.685 3.811 1.00 0.00 C ATOM 911 OD1 ASN A 64 -10.315 2.229 3.891 1.00 0.00 O ATOM 912 ND2 ASN A 64 -12.422 2.015 4.591 1.00 0.00 N ATOM 0 H ASN A 64 -11.283 -1.504 1.226 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.917 -0.299 3.575 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -11.475 1.011 1.770 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -12.745 0.346 2.778 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -12.303 2.745 5.294 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -13.320 1.541 4.494 1.00 0.00 H new ATOM 919 N LEU A 65 -11.538 -2.876 3.621 1.00 0.00 N ATOM 920 CA LEU A 65 -12.050 -3.982 4.397 1.00 0.00 C ATOM 921 C LEU A 65 -11.242 -4.142 5.664 1.00 0.00 C ATOM 922 O LEU A 65 -10.019 -4.021 5.631 1.00 0.00 O ATOM 923 CB LEU A 65 -11.940 -5.249 3.529 1.00 0.00 C ATOM 924 CG LEU A 65 -13.148 -5.429 2.617 1.00 0.00 C ATOM 925 CD1 LEU A 65 -13.701 -4.168 1.985 1.00 0.00 C ATOM 926 CD2 LEU A 65 -13.187 -6.735 1.835 1.00 0.00 C ATOM 0 H LEU A 65 -11.191 -3.174 2.709 1.00 0.00 H new ATOM 0 HA LEU A 65 -13.088 -3.806 4.680 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.035 -5.195 2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.841 -6.122 4.174 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.975 -5.620 3.301 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -14.557 -4.420 1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -14.015 -3.476 2.767 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -12.930 -3.699 1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -14.085 -6.763 1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -12.306 -6.803 1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -13.198 -7.575 2.530 1.00 0.00 H new ATOM 938 N SER A 66 -11.922 -4.504 6.745 1.00 0.00 N ATOM 939 CA SER A 66 -11.258 -4.986 7.952 1.00 0.00 C ATOM 940 C SER A 66 -10.343 -6.163 7.613 1.00 0.00 C ATOM 941 O SER A 66 -10.614 -6.892 6.658 1.00 0.00 O ATOM 942 CB SER A 66 -12.302 -5.471 8.954 1.00 0.00 C ATOM 943 OG SER A 66 -13.314 -4.527 9.227 1.00 0.00 O ATOM 0 H SER A 66 -12.939 -4.473 6.811 1.00 0.00 H new ATOM 0 HA SER A 66 -10.674 -4.168 8.375 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.762 -6.382 8.572 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.802 -5.733 9.886 1.00 0.00 H new ATOM 0 HG SER A 66 -13.947 -4.904 9.873 1.00 0.00 H new ATOM 949 N HIS A 67 -9.362 -6.450 8.469 1.00 0.00 N ATOM 950 CA HIS A 67 -8.585 -7.688 8.397 1.00 0.00 C ATOM 951 C HIS A 67 -9.546 -8.865 8.313 1.00 0.00 C ATOM 952 O HIS A 67 -9.465 -9.679 7.400 1.00 0.00 O ATOM 953 CB HIS A 67 -7.609 -7.788 9.588 1.00 0.00 C ATOM 954 CG HIS A 67 -6.909 -9.113 9.730 1.00 0.00 C ATOM 955 ND1 HIS A 67 -5.710 -9.438 9.141 1.00 0.00 N ATOM 956 CD2 HIS A 67 -7.316 -10.182 10.482 1.00 0.00 C ATOM 957 CE1 HIS A 67 -5.382 -10.679 9.530 1.00 0.00 C ATOM 958 NE2 HIS A 67 -6.316 -11.161 10.375 1.00 0.00 N ATOM 0 H HIS A 67 -9.084 -5.832 9.231 1.00 0.00 H new ATOM 0 HA HIS A 67 -7.965 -7.697 7.501 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -6.856 -7.006 9.488 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -8.159 -7.585 10.507 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.166 -8.841 8.518 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -8.232 -10.258 11.049 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.499 -11.214 9.213 1.00 0.00 H new ATOM 966 N THR A 68 -10.522 -8.893 9.209 1.00 0.00 N ATOM 967 CA THR A 68 -11.541 -9.916 9.290 1.00 0.00 C ATOM 968 C THR A 68 -12.312 -10.090 7.975 1.00 0.00 C ATOM 969 O THR A 68 -12.489 -11.221 7.532 1.00 0.00 O ATOM 970 CB THR A 68 -12.472 -9.549 10.454 1.00 0.00 C ATOM 971 OG1 THR A 68 -11.742 -8.924 11.500 1.00 0.00 O ATOM 972 CG2 THR A 68 -13.084 -10.824 10.998 1.00 0.00 C ATOM 0 H THR A 68 -10.625 -8.174 9.925 1.00 0.00 H new ATOM 0 HA THR A 68 -11.071 -10.883 9.470 1.00 0.00 H new ATOM 0 HB THR A 68 -13.239 -8.864 10.093 1.00 0.00 H new ATOM 0 HG1 THR A 68 -12.351 -8.695 12.233 1.00 0.00 H new ATOM 0 HG21 THR A 68 -13.750 -10.583 11.827 1.00 0.00 H new ATOM 0 HG22 THR A 68 -13.651 -11.321 10.210 1.00 0.00 H new ATOM 0 HG23 THR A 68 -12.293 -11.487 11.349 1.00 0.00 H new ATOM 980 N GLU A 69 -12.718 -8.994 7.328 1.00 0.00 N ATOM 981 CA GLU A 69 -13.475 -9.006 6.080 1.00 0.00 C ATOM 982 C GLU A 69 -12.630 -9.633 4.970 1.00 0.00 C ATOM 983 O GLU A 69 -13.151 -10.395 4.152 1.00 0.00 O ATOM 984 CB GLU A 69 -13.887 -7.568 5.708 1.00 0.00 C ATOM 985 CG GLU A 69 -14.825 -6.935 6.733 1.00 0.00 C ATOM 986 CD GLU A 69 -16.291 -7.284 6.510 1.00 0.00 C ATOM 987 OE1 GLU A 69 -16.737 -8.310 7.070 1.00 0.00 O ATOM 988 OE2 GLU A 69 -16.998 -6.487 5.848 1.00 0.00 O ATOM 0 H GLU A 69 -12.523 -8.052 7.668 1.00 0.00 H new ATOM 0 HA GLU A 69 -14.378 -9.603 6.206 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.993 -6.952 5.613 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.374 -7.576 4.733 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.530 -7.258 7.732 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.708 -5.852 6.701 1.00 0.00 H new ATOM 995 N VAL A 70 -11.331 -9.326 4.937 1.00 0.00 N ATOM 996 CA VAL A 70 -10.410 -9.841 3.937 1.00 0.00 C ATOM 997 C VAL A 70 -10.214 -11.341 4.138 1.00 0.00 C ATOM 998 O VAL A 70 -10.345 -12.119 3.189 1.00 0.00 O ATOM 999 CB VAL A 70 -9.082 -9.051 3.982 1.00 0.00 C ATOM 1000 CG1 VAL A 70 -8.002 -9.586 3.031 1.00 0.00 C ATOM 1001 CG2 VAL A 70 -9.326 -7.582 3.619 1.00 0.00 C ATOM 0 H VAL A 70 -10.890 -8.705 5.615 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.826 -9.703 2.939 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.719 -9.165 5.003 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.102 -8.977 3.123 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.769 -10.619 3.289 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.367 -9.542 2.005 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.383 -7.037 3.655 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -9.743 -7.520 2.614 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.026 -7.143 4.330 1.00 0.00 H new ATOM 1011 N VAL A 71 -9.931 -11.749 5.374 1.00 0.00 N ATOM 1012 CA VAL A 71 -9.769 -13.138 5.791 1.00 0.00 C ATOM 1013 C VAL A 71 -11.022 -13.932 5.446 1.00 0.00 C ATOM 1014 O VAL A 71 -10.903 -15.081 5.018 1.00 0.00 O ATOM 1015 CB VAL A 71 -9.454 -13.148 7.304 1.00 0.00 C ATOM 1016 CG1 VAL A 71 -9.423 -14.525 7.977 1.00 0.00 C ATOM 1017 CG2 VAL A 71 -8.087 -12.522 7.542 1.00 0.00 C ATOM 0 H VAL A 71 -9.803 -11.092 6.143 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.944 -13.617 5.264 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.280 -12.592 7.748 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.193 -14.407 9.036 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -10.396 -15.005 7.868 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.659 -15.143 7.506 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -7.864 -12.529 8.609 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.327 -13.094 7.009 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.089 -11.494 7.178 1.00 0.00 H new ATOM 1027 N ASP A 72 -12.190 -13.315 5.604 1.00 0.00 N ATOM 1028 CA ASP A 72 -13.489 -13.965 5.403 1.00 0.00 C ATOM 1029 C ASP A 72 -13.685 -14.357 3.940 1.00 0.00 C ATOM 1030 O ASP A 72 -14.017 -15.506 3.640 1.00 0.00 O ATOM 1031 CB ASP A 72 -14.656 -13.101 5.898 1.00 0.00 C ATOM 1032 CG ASP A 72 -15.904 -13.965 6.077 1.00 0.00 C ATOM 1033 OD1 ASP A 72 -16.619 -14.205 5.084 1.00 0.00 O ATOM 1034 OD2 ASP A 72 -16.108 -14.433 7.226 1.00 0.00 O ATOM 0 H ASP A 72 -12.266 -12.336 5.879 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.485 -14.873 6.006 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -14.393 -12.626 6.843 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -14.856 -12.301 5.185 1.00 0.00 H new ATOM 1039 N ILE A 73 -13.377 -13.435 3.022 1.00 0.00 N ATOM 1040 CA ILE A 73 -13.345 -13.677 1.580 1.00 0.00 C ATOM 1041 C ILE A 73 -12.340 -14.780 1.271 1.00 0.00 C ATOM 1042 O ILE A 73 -12.659 -15.715 0.545 1.00 0.00 O ATOM 1043 CB ILE A 73 -12.995 -12.364 0.855 1.00 0.00 C ATOM 1044 CG1 ILE A 73 -14.178 -11.395 1.004 1.00 0.00 C ATOM 1045 CG2 ILE A 73 -12.658 -12.554 -0.639 1.00 0.00 C ATOM 1046 CD1 ILE A 73 -13.752 -9.935 0.873 1.00 0.00 C ATOM 0 H ILE A 73 -13.137 -12.475 3.270 1.00 0.00 H new ATOM 0 HA ILE A 73 -14.321 -14.009 1.227 1.00 0.00 H new ATOM 0 HB ILE A 73 -12.093 -11.965 1.319 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -14.928 -11.622 0.246 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -14.650 -11.548 1.975 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -12.422 -11.588 -1.084 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -11.799 -13.218 -0.737 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -13.515 -12.991 -1.153 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -14.624 -9.290 0.986 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -13.023 -9.698 1.648 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -13.305 -9.773 -0.108 1.00 0.00 H new ATOM 1058 N LEU A 74 -11.140 -14.722 1.853 1.00 0.00 N ATOM 1059 CA LEU A 74 -10.161 -15.776 1.635 1.00 0.00 C ATOM 1060 C LEU A 74 -10.661 -17.142 2.122 1.00 0.00 C ATOM 1061 O LEU A 74 -10.087 -18.150 1.719 1.00 0.00 O ATOM 1062 CB LEU A 74 -8.819 -15.435 2.287 1.00 0.00 C ATOM 1063 CG LEU A 74 -8.061 -14.240 1.687 1.00 0.00 C ATOM 1064 CD1 LEU A 74 -6.865 -13.972 2.613 1.00 0.00 C ATOM 1065 CD2 LEU A 74 -7.637 -14.504 0.238 1.00 0.00 C ATOM 0 H LEU A 74 -10.831 -13.969 2.467 1.00 0.00 H new ATOM 0 HA LEU A 74 -10.014 -15.844 0.557 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -8.992 -15.236 3.345 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -8.176 -16.313 2.229 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.700 -13.359 1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.290 -13.128 2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.226 -13.741 3.615 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.229 -14.857 2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.104 -13.635 -0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.983 -15.376 0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.521 -14.689 -0.372 1.00 0.00 H new ATOM 1077 N LYS A 75 -11.695 -17.222 2.971 1.00 0.00 N ATOM 1078 CA LYS A 75 -12.314 -18.493 3.361 1.00 0.00 C ATOM 1079 C LYS A 75 -13.394 -18.921 2.364 1.00 0.00 C ATOM 1080 O LYS A 75 -13.527 -20.122 2.117 1.00 0.00 O ATOM 1081 CB LYS A 75 -12.897 -18.424 4.780 1.00 0.00 C ATOM 1082 CG LYS A 75 -11.857 -18.100 5.858 1.00 0.00 C ATOM 1083 CD LYS A 75 -12.455 -17.286 7.010 1.00 0.00 C ATOM 1084 CE LYS A 75 -12.578 -18.063 8.310 1.00 0.00 C ATOM 1085 NZ LYS A 75 -13.707 -19.007 8.289 1.00 0.00 N ATOM 0 H LYS A 75 -12.125 -16.406 3.406 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.525 -19.245 3.353 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.681 -17.667 4.805 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.368 -19.378 5.017 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.440 -19.028 6.249 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.033 -17.543 5.411 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.835 -16.406 7.181 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.442 -16.929 6.716 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.653 -18.610 8.493 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.705 -17.365 9.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.752 -19.514 9.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.594 -18.484 8.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.574 -19.690 7.516 1.00 0.00 H new ATOM 1099 N ASP A 76 -14.119 -17.974 1.763 1.00 0.00 N ATOM 1100 CA ASP A 76 -14.962 -18.197 0.579 1.00 0.00 C ATOM 1101 C ASP A 76 -14.124 -18.836 -0.528 1.00 0.00 C ATOM 1102 O ASP A 76 -14.578 -19.813 -1.130 1.00 0.00 O ATOM 1103 CB ASP A 76 -15.668 -16.879 0.166 1.00 0.00 C ATOM 1104 CG ASP A 76 -16.126 -16.685 -1.296 1.00 0.00 C ATOM 1105 OD1 ASP A 76 -15.542 -17.225 -2.261 1.00 0.00 O ATOM 1106 OD2 ASP A 76 -17.043 -15.851 -1.493 1.00 0.00 O ATOM 0 H ASP A 76 -14.139 -17.008 2.091 1.00 0.00 H new ATOM 0 HA ASP A 76 -15.765 -18.900 0.802 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -16.547 -16.767 0.801 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -14.993 -16.058 0.408 1.00 0.00 H new ATOM 1111 N CYS A 77 -12.890 -18.360 -0.735 1.00 0.00 N ATOM 1112 CA CYS A 77 -12.026 -18.800 -1.827 1.00 0.00 C ATOM 1113 C CYS A 77 -11.906 -20.337 -1.878 1.00 0.00 C ATOM 1114 O CYS A 77 -11.749 -20.967 -0.825 1.00 0.00 O ATOM 1115 CB CYS A 77 -10.654 -18.138 -1.720 1.00 0.00 C ATOM 1116 SG CYS A 77 -10.760 -16.343 -1.991 1.00 0.00 S ATOM 0 H CYS A 77 -12.463 -17.651 -0.140 1.00 0.00 H new ATOM 0 HA CYS A 77 -12.486 -18.487 -2.765 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -10.229 -18.334 -0.735 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -9.978 -18.579 -2.452 1.00 0.00 H new ATOM 0 HG CYS A 77 -11.487 -15.805 -1.057 1.00 0.00 H new ATOM 1122 N PRO A 78 -12.001 -20.941 -3.076 1.00 0.00 N ATOM 1123 CA PRO A 78 -11.990 -22.377 -3.304 1.00 0.00 C ATOM 1124 C PRO A 78 -10.635 -22.999 -2.981 1.00 0.00 C ATOM 1125 O PRO A 78 -9.634 -22.777 -3.668 1.00 0.00 O ATOM 1126 CB PRO A 78 -12.409 -22.590 -4.763 1.00 0.00 C ATOM 1127 CG PRO A 78 -12.325 -21.221 -5.438 1.00 0.00 C ATOM 1128 CD PRO A 78 -12.141 -20.218 -4.325 1.00 0.00 C ATOM 0 HA PRO A 78 -12.686 -22.883 -2.635 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.752 -23.307 -5.255 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -13.421 -22.991 -4.822 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -11.492 -21.182 -6.139 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -13.231 -21.010 -6.007 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -11.259 -19.605 -4.509 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -12.995 -19.542 -4.278 1.00 0.00 H new ATOM 1136 N ILE A 79 -10.619 -23.818 -1.931 1.00 0.00 N ATOM 1137 CA ILE A 79 -9.509 -24.675 -1.549 1.00 0.00 C ATOM 1138 C ILE A 79 -9.098 -25.480 -2.789 1.00 0.00 C ATOM 1139 O ILE A 79 -9.879 -26.283 -3.319 1.00 0.00 O ATOM 1140 CB ILE A 79 -9.922 -25.578 -0.374 1.00 0.00 C ATOM 1141 CG1 ILE A 79 -10.304 -24.816 0.916 1.00 0.00 C ATOM 1142 CG2 ILE A 79 -8.823 -26.617 -0.083 1.00 0.00 C ATOM 1143 CD1 ILE A 79 -9.178 -24.529 1.909 1.00 0.00 C ATOM 0 H ILE A 79 -11.415 -23.903 -1.299 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.655 -24.092 -1.206 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.834 -26.081 -0.696 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.753 -23.865 0.628 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -11.074 -25.389 1.433 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -9.130 -27.248 0.751 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.664 -27.235 -0.966 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.896 -26.104 0.173 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.579 -23.991 2.768 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.739 -25.469 2.243 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.412 -23.922 1.426 1.00 0.00 H new ATOM 1155 N GLY A 80 -7.861 -25.271 -3.229 1.00 0.00 N ATOM 1156 CA GLY A 80 -7.236 -25.994 -4.319 1.00 0.00 C ATOM 1157 C GLY A 80 -7.325 -25.265 -5.653 1.00 0.00 C ATOM 1158 O GLY A 80 -6.980 -25.856 -6.674 1.00 0.00 O ATOM 0 H GLY A 80 -7.248 -24.567 -2.818 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -6.188 -26.168 -4.077 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.707 -26.972 -4.415 1.00 0.00 H new ATOM 1162 N SER A 81 -7.780 -24.008 -5.675 1.00 0.00 N ATOM 1163 CA SER A 81 -7.980 -23.246 -6.896 1.00 0.00 C ATOM 1164 C SER A 81 -7.354 -21.856 -6.764 1.00 0.00 C ATOM 1165 O SER A 81 -7.227 -21.336 -5.651 1.00 0.00 O ATOM 1166 CB SER A 81 -9.487 -23.179 -7.147 1.00 0.00 C ATOM 1167 OG SER A 81 -9.748 -23.184 -8.533 1.00 0.00 O ATOM 0 H SER A 81 -8.021 -23.491 -4.829 1.00 0.00 H new ATOM 0 HA SER A 81 -7.491 -23.723 -7.746 1.00 0.00 H new ATOM 0 HB2 SER A 81 -9.981 -24.027 -6.673 1.00 0.00 H new ATOM 0 HB3 SER A 81 -9.899 -22.277 -6.695 1.00 0.00 H new ATOM 0 HG SER A 81 -10.715 -23.143 -8.684 1.00 0.00 H new ATOM 1173 N GLU A 82 -6.930 -21.264 -7.884 1.00 0.00 N ATOM 1174 CA GLU A 82 -6.286 -19.963 -7.955 1.00 0.00 C ATOM 1175 C GLU A 82 -7.271 -18.817 -7.702 1.00 0.00 C ATOM 1176 O GLU A 82 -8.478 -18.921 -7.944 1.00 0.00 O ATOM 1177 CB GLU A 82 -5.586 -19.780 -9.307 1.00 0.00 C ATOM 1178 CG GLU A 82 -4.242 -20.468 -9.537 1.00 0.00 C ATOM 1179 CD GLU A 82 -4.331 -21.947 -9.928 1.00 0.00 C ATOM 1180 OE1 GLU A 82 -5.445 -22.498 -10.072 1.00 0.00 O ATOM 1181 OE2 GLU A 82 -3.258 -22.545 -10.182 1.00 0.00 O ATOM 0 H GLU A 82 -7.033 -21.701 -8.800 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.539 -19.930 -7.162 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.270 -20.124 -10.083 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.441 -18.711 -9.462 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -3.706 -19.932 -10.320 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.647 -20.383 -8.628 1.00 0.00 H new ATOM 1188 N THR A 83 -6.707 -17.721 -7.211 1.00 0.00 N ATOM 1189 CA THR A 83 -7.310 -16.473 -6.777 1.00 0.00 C ATOM 1190 C THR A 83 -6.502 -15.359 -7.452 1.00 0.00 C ATOM 1191 O THR A 83 -5.281 -15.511 -7.541 1.00 0.00 O ATOM 1192 CB THR A 83 -7.145 -16.368 -5.245 1.00 0.00 C ATOM 1193 OG1 THR A 83 -7.237 -17.627 -4.607 1.00 0.00 O ATOM 1194 CG2 THR A 83 -8.181 -15.425 -4.646 1.00 0.00 C ATOM 0 H THR A 83 -5.694 -17.685 -7.095 1.00 0.00 H new ATOM 0 HA THR A 83 -8.368 -16.408 -7.032 1.00 0.00 H new ATOM 0 HB THR A 83 -6.145 -15.970 -5.072 1.00 0.00 H new ATOM 0 HG1 THR A 83 -6.399 -18.119 -4.731 1.00 0.00 H new ATOM 0 HG21 THR A 83 -8.042 -15.370 -3.566 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.062 -14.432 -5.078 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.182 -15.798 -4.864 1.00 0.00 H new ATOM 1202 N SER A 84 -7.119 -14.253 -7.873 1.00 0.00 N ATOM 1203 CA SER A 84 -6.440 -13.107 -8.473 1.00 0.00 C ATOM 1204 C SER A 84 -6.487 -11.963 -7.465 1.00 0.00 C ATOM 1205 O SER A 84 -7.583 -11.524 -7.105 1.00 0.00 O ATOM 1206 CB SER A 84 -7.143 -12.690 -9.771 1.00 0.00 C ATOM 1207 OG SER A 84 -7.162 -13.728 -10.732 1.00 0.00 O ATOM 0 H SER A 84 -8.129 -14.128 -7.804 1.00 0.00 H new ATOM 0 HA SER A 84 -5.409 -13.364 -8.716 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.166 -12.388 -9.546 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.639 -11.819 -10.191 1.00 0.00 H new ATOM 0 HG SER A 84 -7.621 -13.417 -11.540 1.00 0.00 H new ATOM 1213 N LEU A 85 -5.332 -11.507 -6.975 1.00 0.00 N ATOM 1214 CA LEU A 85 -5.216 -10.445 -5.983 1.00 0.00 C ATOM 1215 C LEU A 85 -4.481 -9.273 -6.613 1.00 0.00 C ATOM 1216 O LEU A 85 -3.307 -9.406 -6.956 1.00 0.00 O ATOM 1217 CB LEU A 85 -4.445 -10.894 -4.730 1.00 0.00 C ATOM 1218 CG LEU A 85 -5.316 -11.603 -3.684 1.00 0.00 C ATOM 1219 CD1 LEU A 85 -5.771 -12.987 -4.144 1.00 0.00 C ATOM 1220 CD2 LEU A 85 -4.545 -11.706 -2.360 1.00 0.00 C ATOM 0 H LEU A 85 -4.429 -11.879 -7.268 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.223 -10.168 -5.671 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.640 -11.564 -5.032 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.980 -10.022 -4.270 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.217 -11.006 -3.543 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.384 -13.445 -3.368 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.356 -12.892 -5.059 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.899 -13.612 -4.334 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.164 -12.210 -1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.629 -12.276 -2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.295 -10.706 -2.006 1.00 0.00 H new ATOM 1232 N ILE A 86 -5.147 -8.134 -6.758 1.00 0.00 N ATOM 1233 CA ILE A 86 -4.512 -6.879 -7.124 1.00 0.00 C ATOM 1234 C ILE A 86 -3.840 -6.313 -5.875 1.00 0.00 C ATOM 1235 O ILE A 86 -4.465 -6.289 -4.805 1.00 0.00 O ATOM 1236 CB ILE A 86 -5.500 -5.887 -7.773 1.00 0.00 C ATOM 1237 CG1 ILE A 86 -6.423 -6.601 -8.792 1.00 0.00 C ATOM 1238 CG2 ILE A 86 -4.685 -4.802 -8.484 1.00 0.00 C ATOM 1239 CD1 ILE A 86 -7.055 -5.737 -9.887 1.00 0.00 C ATOM 0 H ILE A 86 -6.155 -8.057 -6.623 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.759 -7.056 -7.892 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.135 -5.452 -7.001 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.847 -7.390 -9.275 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -7.227 -7.086 -8.238 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.361 -4.087 -8.952 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.056 -4.286 -7.759 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.057 -5.261 -9.248 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -7.676 -6.361 -10.530 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.670 -4.962 -9.429 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.269 -5.272 -10.482 1.00 0.00 H new ATOM 1251 N ILE A 87 -2.594 -5.847 -6.007 1.00 0.00 N ATOM 1252 CA ILE A 87 -1.809 -5.284 -4.917 1.00 0.00 C ATOM 1253 C ILE A 87 -1.224 -3.922 -5.316 1.00 0.00 C ATOM 1254 O ILE A 87 -0.998 -3.661 -6.503 1.00 0.00 O ATOM 1255 CB ILE A 87 -0.752 -6.306 -4.428 1.00 0.00 C ATOM 1256 CG1 ILE A 87 0.411 -6.601 -5.407 1.00 0.00 C ATOM 1257 CG2 ILE A 87 -1.421 -7.641 -4.041 1.00 0.00 C ATOM 1258 CD1 ILE A 87 1.540 -5.564 -5.360 1.00 0.00 C ATOM 0 H ILE A 87 -2.097 -5.853 -6.898 1.00 0.00 H new ATOM 0 HA ILE A 87 -2.456 -5.088 -4.062 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.301 -5.816 -3.566 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.824 -7.584 -5.180 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.016 -6.648 -6.422 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.661 -8.344 -3.701 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.140 -7.469 -3.240 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.935 -8.055 -4.908 1.00 0.00 H new ATOM 0 HD11 ILE A 87 2.317 -5.839 -6.073 1.00 0.00 H new ATOM 0 HD12 ILE A 87 1.143 -4.582 -5.617 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.964 -5.532 -4.356 1.00 0.00 H new ATOM 1270 N HIS A 88 -0.972 -3.028 -4.348 1.00 0.00 N ATOM 1271 CA HIS A 88 -0.611 -1.645 -4.642 1.00 0.00 C ATOM 1272 C HIS A 88 0.900 -1.506 -4.822 1.00 0.00 C ATOM 1273 O HIS A 88 1.574 -0.869 -4.013 1.00 0.00 O ATOM 1274 CB HIS A 88 -1.244 -0.677 -3.624 1.00 0.00 C ATOM 1275 CG HIS A 88 -1.543 0.725 -4.112 1.00 0.00 C ATOM 1276 ND1 HIS A 88 -2.623 1.494 -3.728 1.00 0.00 N ATOM 1277 CD2 HIS A 88 -0.882 1.417 -5.091 1.00 0.00 C ATOM 1278 CE1 HIS A 88 -2.635 2.597 -4.495 1.00 0.00 C ATOM 1279 NE2 HIS A 88 -1.577 2.611 -5.325 1.00 0.00 N ATOM 0 H HIS A 88 -1.014 -3.246 -3.352 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.037 -1.351 -5.601 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -2.175 -1.119 -3.268 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.577 -0.603 -2.765 1.00 0.00 H new ATOM 0 HD2 HIS A 88 0.018 1.098 -5.595 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -3.391 3.367 -4.451 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -1.330 3.343 -5.991 1.00 0.00 H new ATOM 1287 N ARG A 89 1.449 -2.091 -5.892 1.00 0.00 N ATOM 1288 CA ARG A 89 2.877 -1.986 -6.209 1.00 0.00 C ATOM 1289 C ARG A 89 3.240 -0.523 -6.436 1.00 0.00 C ATOM 1290 O ARG A 89 4.185 -0.007 -5.834 1.00 0.00 O ATOM 1291 CB ARG A 89 3.221 -2.832 -7.449 1.00 0.00 C ATOM 1292 CG ARG A 89 4.599 -3.507 -7.416 1.00 0.00 C ATOM 1293 CD ARG A 89 5.794 -2.592 -7.198 1.00 0.00 C ATOM 1294 NE ARG A 89 6.169 -2.478 -5.776 1.00 0.00 N ATOM 1295 CZ ARG A 89 6.994 -3.318 -5.134 1.00 0.00 C ATOM 1296 NH1 ARG A 89 7.594 -4.313 -5.783 1.00 0.00 N ATOM 1297 NH2 ARG A 89 7.257 -3.159 -3.846 1.00 0.00 N ATOM 0 H ARG A 89 0.918 -2.649 -6.561 1.00 0.00 H new ATOM 0 HA ARG A 89 3.459 -2.371 -5.371 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.459 -3.603 -7.566 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.167 -2.194 -8.331 1.00 0.00 H new ATOM 0 HG2 ARG A 89 4.594 -4.257 -6.625 1.00 0.00 H new ATOM 0 HG3 ARG A 89 4.742 -4.038 -8.357 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.645 -2.970 -7.765 1.00 0.00 H new ATOM 0 HD3 ARG A 89 5.565 -1.601 -7.590 1.00 0.00 H new ATOM 0 HE ARG A 89 5.772 -1.704 -5.243 1.00 0.00 H new ATOM 0 HH11 ARG A 89 7.429 -4.444 -6.781 1.00 0.00 H new ATOM 0 HH12 ARG A 89 8.219 -4.945 -5.282 1.00 0.00 H new ATOM 0 HH21 ARG A 89 6.830 -2.390 -3.329 1.00 0.00 H new ATOM 0 HH22 ARG A 89 7.886 -3.806 -3.370 1.00 0.00 H new ATOM 1311 N GLY A 90 2.472 0.139 -7.299 1.00 0.00 N ATOM 1312 CA GLY A 90 2.645 1.528 -7.674 1.00 0.00 C ATOM 1313 C GLY A 90 3.652 1.579 -8.808 1.00 0.00 C ATOM 1314 O GLY A 90 3.288 1.335 -9.952 1.00 0.00 O ATOM 0 H GLY A 90 1.682 -0.301 -7.771 1.00 0.00 H new ATOM 0 HA2 GLY A 90 1.695 1.961 -7.987 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.997 2.112 -6.824 1.00 0.00 H new ATOM 1318 N SER A 91 4.923 1.836 -8.519 1.00 0.00 N ATOM 1319 CA SER A 91 5.989 1.793 -9.508 1.00 0.00 C ATOM 1320 C SER A 91 7.247 1.239 -8.844 1.00 0.00 C ATOM 1321 O SER A 91 7.400 1.311 -7.618 1.00 0.00 O ATOM 1322 CB SER A 91 6.158 3.204 -10.099 1.00 0.00 C ATOM 1323 OG SER A 91 7.003 3.239 -11.235 1.00 0.00 O ATOM 0 H SER A 91 5.243 2.082 -7.582 1.00 0.00 H new ATOM 0 HA SER A 91 5.760 1.128 -10.341 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.178 3.596 -10.372 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.563 3.865 -9.333 1.00 0.00 H new ATOM 0 HG SER A 91 7.069 4.159 -11.565 1.00 0.00 H new ATOM 1329 N GLY A 92 8.153 0.693 -9.648 1.00 0.00 N ATOM 1330 CA GLY A 92 9.476 0.271 -9.229 1.00 0.00 C ATOM 1331 C GLY A 92 10.173 -0.496 -10.354 1.00 0.00 C ATOM 1332 O GLY A 92 9.552 -0.800 -11.377 1.00 0.00 O ATOM 0 H GLY A 92 7.977 0.529 -10.639 1.00 0.00 H new ATOM 0 HA2 GLY A 92 10.071 1.141 -8.951 1.00 0.00 H new ATOM 0 HA3 GLY A 92 9.400 -0.360 -8.343 1.00 0.00 H new ATOM 1336 N PRO A 93 11.478 -0.760 -10.221 1.00 0.00 N ATOM 1337 CA PRO A 93 12.217 -1.642 -11.110 1.00 0.00 C ATOM 1338 C PRO A 93 12.046 -3.099 -10.665 1.00 0.00 C ATOM 1339 O PRO A 93 12.058 -3.381 -9.462 1.00 0.00 O ATOM 1340 CB PRO A 93 13.669 -1.193 -10.965 1.00 0.00 C ATOM 1341 CG PRO A 93 13.757 -0.634 -9.545 1.00 0.00 C ATOM 1342 CD PRO A 93 12.339 -0.186 -9.204 1.00 0.00 C ATOM 0 HA PRO A 93 11.874 -1.590 -12.143 1.00 0.00 H new ATOM 0 HB2 PRO A 93 14.358 -2.026 -11.107 1.00 0.00 H new ATOM 0 HB3 PRO A 93 13.926 -0.436 -11.706 1.00 0.00 H new ATOM 0 HG2 PRO A 93 14.110 -1.391 -8.845 1.00 0.00 H new ATOM 0 HG3 PRO A 93 14.457 0.200 -9.493 1.00 0.00 H new ATOM 0 HD2 PRO A 93 12.051 -0.529 -8.211 1.00 0.00 H new ATOM 0 HD3 PRO A 93 12.265 0.901 -9.199 1.00 0.00 H new ATOM 1350 N SER A 94 11.976 -4.034 -11.616 1.00 0.00 N ATOM 1351 CA SER A 94 11.796 -5.462 -11.331 1.00 0.00 C ATOM 1352 C SER A 94 12.910 -6.318 -11.948 1.00 0.00 C ATOM 1353 O SER A 94 13.218 -7.396 -11.432 1.00 0.00 O ATOM 1354 CB SER A 94 10.392 -5.891 -11.772 1.00 0.00 C ATOM 1355 OG SER A 94 9.432 -4.971 -11.277 1.00 0.00 O ATOM 0 H SER A 94 12.043 -3.822 -12.611 1.00 0.00 H new ATOM 0 HA SER A 94 11.878 -5.627 -10.257 1.00 0.00 H new ATOM 0 HB2 SER A 94 10.340 -5.935 -12.860 1.00 0.00 H new ATOM 0 HB3 SER A 94 10.174 -6.893 -11.401 1.00 0.00 H new ATOM 0 HG SER A 94 8.536 -5.248 -11.562 1.00 0.00 H new ATOM 1361 N SER A 95 13.602 -5.812 -12.967 1.00 0.00 N ATOM 1362 CA SER A 95 14.964 -6.190 -13.293 1.00 0.00 C ATOM 1363 C SER A 95 15.689 -4.934 -13.765 1.00 0.00 C ATOM 1364 O SER A 95 15.081 -4.050 -14.384 1.00 0.00 O ATOM 1365 CB SER A 95 14.974 -7.293 -14.362 1.00 0.00 C ATOM 1366 OG SER A 95 16.280 -7.813 -14.514 1.00 0.00 O ATOM 0 H SER A 95 13.216 -5.111 -13.600 1.00 0.00 H new ATOM 0 HA SER A 95 15.474 -6.599 -12.421 1.00 0.00 H new ATOM 0 HB2 SER A 95 14.288 -8.091 -14.078 1.00 0.00 H new ATOM 0 HB3 SER A 95 14.621 -6.892 -15.312 1.00 0.00 H new ATOM 0 HG SER A 95 16.739 -7.339 -15.239 1.00 0.00 H new ATOM 1372 N GLY A 96 16.991 -4.868 -13.501 1.00 0.00 N ATOM 1373 CA GLY A 96 17.919 -4.134 -14.343 1.00 0.00 C ATOM 1374 C GLY A 96 18.036 -4.837 -15.676 1.00 0.00 C ATOM 1375 O GLY A 96 17.862 -6.077 -15.709 1.00 0.00 O ATOM 0 H GLY A 96 17.427 -5.322 -12.699 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.570 -3.112 -14.486 1.00 0.00 H new ATOM 0 HA3 GLY A 96 18.896 -4.073 -13.863 1.00 0.00 H new TER 1379 GLY A 96