USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 592 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 32 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 33 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 36 MET CE :methyl 152:sc= -0.735 (180deg=-2.71!) USER MOD Set 2.1: A 19 MET CE :methyl 149:sc= -0.51 (180deg=-1.38) USER MOD Set 2.2: A 22 TYR OH : rot 110:sc= 0.503 USER MOD Set 2.3: A 55 HIS : no HE2:sc= -1.76! C(o=-1.8!,f=-13!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HE2:sc= -4.04! C(o=-4!,f=-6!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl -122:sc= -5.53! (180deg=-10!) USER MOD Single : A 41 ASN : amide:sc= -3.33! C(o=-3.3!,f=-3.5!) USER MOD Single : A 43 GLN : amide:sc= -0.621 X(o=-0.62,f=-0.68) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 153:sc= -1.38 (180deg=-3.21!) USER MOD Single : A 56 GLN : amide:sc= -3.45! C(o=-3.5!,f=-3.9!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 101:sc= -3.03! USER MOD Single : A 64 GLN : amide:sc= -1.72! C(o=-1.7!,f=-4.2!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 148:sc= -2.23 (180deg=-3.32) USER MOD Single : A 69 GLN : amide:sc= -0.0394 K(o=-0.039,f=-1.7!) USER MOD Single : A 71 THR OG1 : rot -35:sc= 0.95 USER MOD Single : A 72 SER OG : rot 36:sc= 0.897 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.0335 X(o=-0.034,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc=0.000367 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.648 11.874 -11.452 1.00 0.00 N ATOM 2 CA GLY A 1 -4.007 12.129 -11.893 1.00 0.00 C ATOM 3 C GLY A 1 -5.014 11.215 -11.225 1.00 0.00 C ATOM 4 O GLY A 1 -5.355 11.403 -10.057 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.998 12.524 -11.938 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.583 12.022 -10.425 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.388 10.892 -11.677 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.266 13.166 -11.681 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.065 12.000 -12.974 1.00 0.00 H new ATOM 8 N SER A 2 -5.494 10.222 -11.968 1.00 0.00 N ATOM 9 CA SER A 2 -6.473 9.278 -11.442 1.00 0.00 C ATOM 10 C SER A 2 -5.795 7.990 -10.984 1.00 0.00 C ATOM 11 O SER A 2 -5.969 7.555 -9.846 1.00 0.00 O ATOM 12 CB SER A 2 -7.529 8.962 -12.502 1.00 0.00 C ATOM 13 OG SER A 2 -8.510 8.074 -11.996 1.00 0.00 O ATOM 0 H SER A 2 -5.221 10.051 -12.936 1.00 0.00 H new ATOM 0 HA SER A 2 -6.958 9.738 -10.582 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.005 9.885 -12.832 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.050 8.520 -13.376 1.00 0.00 H new ATOM 0 HG SER A 2 -9.174 7.889 -12.692 1.00 0.00 H new ATOM 19 N SER A 3 -5.020 7.386 -11.880 1.00 0.00 N ATOM 20 CA SER A 3 -4.318 6.146 -11.570 1.00 0.00 C ATOM 21 C SER A 3 -3.265 6.373 -10.490 1.00 0.00 C ATOM 22 O SER A 3 -3.191 5.628 -9.514 1.00 0.00 O ATOM 23 CB SER A 3 -3.659 5.581 -12.830 1.00 0.00 C ATOM 24 OG SER A 3 -3.054 4.326 -12.570 1.00 0.00 O ATOM 0 H SER A 3 -4.863 7.735 -12.825 1.00 0.00 H new ATOM 0 HA SER A 3 -5.047 5.428 -11.196 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.405 5.472 -13.617 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.908 6.281 -13.197 1.00 0.00 H new ATOM 0 HG SER A 3 -2.641 3.985 -13.391 1.00 0.00 H new ATOM 30 N GLY A 4 -2.452 7.409 -10.673 1.00 0.00 N ATOM 31 CA GLY A 4 -1.413 7.717 -9.707 1.00 0.00 C ATOM 32 C GLY A 4 -0.020 7.503 -10.265 1.00 0.00 C ATOM 33 O GLY A 4 0.151 6.834 -11.284 1.00 0.00 O ATOM 0 H GLY A 4 -2.494 8.041 -11.473 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.517 8.753 -9.385 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.547 7.093 -8.823 1.00 0.00 H new ATOM 37 N SER A 5 0.977 8.074 -9.597 1.00 0.00 N ATOM 38 CA SER A 5 2.362 7.948 -10.036 1.00 0.00 C ATOM 39 C SER A 5 3.125 6.967 -9.151 1.00 0.00 C ATOM 40 O SER A 5 2.941 6.940 -7.934 1.00 0.00 O ATOM 41 CB SER A 5 3.052 9.313 -10.016 1.00 0.00 C ATOM 42 OG SER A 5 2.341 10.255 -10.800 1.00 0.00 O ATOM 0 H SER A 5 0.852 8.628 -8.750 1.00 0.00 H new ATOM 0 HA SER A 5 2.360 7.565 -11.056 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.126 9.672 -8.989 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.070 9.215 -10.394 1.00 0.00 H new ATOM 0 HG SER A 5 2.801 11.120 -10.770 1.00 0.00 H new ATOM 48 N SER A 6 3.981 6.162 -9.771 1.00 0.00 N ATOM 49 CA SER A 6 4.770 5.176 -9.042 1.00 0.00 C ATOM 50 C SER A 6 5.927 5.844 -8.304 1.00 0.00 C ATOM 51 O SER A 6 6.500 6.822 -8.782 1.00 0.00 O ATOM 52 CB SER A 6 5.308 4.112 -10.000 1.00 0.00 C ATOM 53 OG SER A 6 5.512 2.880 -9.331 1.00 0.00 O ATOM 0 H SER A 6 4.146 6.173 -10.777 1.00 0.00 H new ATOM 0 HA SER A 6 4.121 4.699 -8.308 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.607 3.971 -10.823 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.247 4.452 -10.436 1.00 0.00 H new ATOM 0 HG SER A 6 5.854 2.216 -9.965 1.00 0.00 H new ATOM 59 N GLY A 7 6.264 5.307 -7.136 1.00 0.00 N ATOM 60 CA GLY A 7 7.350 5.863 -6.350 1.00 0.00 C ATOM 61 C GLY A 7 8.354 4.811 -5.923 1.00 0.00 C ATOM 62 O GLY A 7 9.440 4.711 -6.493 1.00 0.00 O ATOM 0 H GLY A 7 5.805 4.497 -6.720 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.859 6.632 -6.932 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.941 6.351 -5.465 1.00 0.00 H new ATOM 66 N LEU A 8 7.992 4.024 -4.915 1.00 0.00 N ATOM 67 CA LEU A 8 8.870 2.975 -4.409 1.00 0.00 C ATOM 68 C LEU A 8 8.347 1.595 -4.796 1.00 0.00 C ATOM 69 O LEU A 8 7.311 1.471 -5.450 1.00 0.00 O ATOM 70 CB LEU A 8 8.998 3.077 -2.888 1.00 0.00 C ATOM 71 CG LEU A 8 7.698 2.860 -2.113 1.00 0.00 C ATOM 72 CD1 LEU A 8 7.387 1.377 -1.997 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.788 3.497 -0.734 1.00 0.00 C ATOM 0 H LEU A 8 7.096 4.093 -4.432 1.00 0.00 H new ATOM 0 HA LEU A 8 9.854 3.111 -4.859 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.731 2.344 -2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.393 4.062 -2.637 1.00 0.00 H new ATOM 0 HG LEU A 8 6.886 3.338 -2.661 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.458 1.242 -1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.280 0.949 -2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.199 0.875 -1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.854 3.333 -0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.611 3.047 -0.178 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.963 4.568 -0.839 1.00 0.00 H new ATOM 85 N THR A 9 9.072 0.558 -4.387 1.00 0.00 N ATOM 86 CA THR A 9 8.683 -0.813 -4.691 1.00 0.00 C ATOM 87 C THR A 9 8.120 -1.511 -3.459 1.00 0.00 C ATOM 88 O THR A 9 8.521 -1.222 -2.331 1.00 0.00 O ATOM 89 CB THR A 9 9.874 -1.628 -5.229 1.00 0.00 C ATOM 90 OG1 THR A 9 9.433 -2.927 -5.642 1.00 0.00 O ATOM 91 CG2 THR A 9 10.957 -1.768 -4.170 1.00 0.00 C ATOM 0 H THR A 9 9.932 0.642 -3.844 1.00 0.00 H new ATOM 0 HA THR A 9 7.911 -0.760 -5.459 1.00 0.00 H new ATOM 0 HB THR A 9 10.291 -1.097 -6.085 1.00 0.00 H new ATOM 0 HG1 THR A 9 10.196 -3.438 -5.984 1.00 0.00 H new ATOM 0 HG21 THR A 9 11.788 -2.347 -4.573 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.312 -0.779 -3.879 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.549 -2.278 -3.297 1.00 0.00 H new ATOM 99 N VAL A 10 7.187 -2.432 -3.680 1.00 0.00 N ATOM 100 CA VAL A 10 6.570 -3.173 -2.587 1.00 0.00 C ATOM 101 C VAL A 10 7.596 -3.533 -1.518 1.00 0.00 C ATOM 102 O VAL A 10 7.253 -3.721 -0.352 1.00 0.00 O ATOM 103 CB VAL A 10 5.897 -4.463 -3.092 1.00 0.00 C ATOM 104 CG1 VAL A 10 5.356 -5.276 -1.926 1.00 0.00 C ATOM 105 CG2 VAL A 10 4.790 -4.133 -4.082 1.00 0.00 C ATOM 0 H VAL A 10 6.842 -2.683 -4.607 1.00 0.00 H new ATOM 0 HA VAL A 10 5.811 -2.522 -2.153 1.00 0.00 H new ATOM 0 HB VAL A 10 6.646 -5.065 -3.606 1.00 0.00 H new ATOM 0 HG11 VAL A 10 4.884 -6.183 -2.303 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.175 -5.543 -1.258 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.621 -4.685 -1.380 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.325 -5.056 -4.429 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.040 -3.510 -3.595 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.211 -3.597 -4.933 1.00 0.00 H new ATOM 115 N GLY A 11 8.858 -3.627 -1.925 1.00 0.00 N ATOM 116 CA GLY A 11 9.916 -3.964 -0.991 1.00 0.00 C ATOM 117 C GLY A 11 10.303 -2.795 -0.107 1.00 0.00 C ATOM 118 O GLY A 11 10.390 -2.933 1.113 1.00 0.00 O ATOM 0 H GLY A 11 9.167 -3.476 -2.885 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.593 -4.797 -0.366 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.792 -4.302 -1.545 1.00 0.00 H new ATOM 122 N ASP A 12 10.537 -1.642 -0.723 1.00 0.00 N ATOM 123 CA ASP A 12 10.917 -0.443 0.016 1.00 0.00 C ATOM 124 C ASP A 12 9.947 -0.181 1.163 1.00 0.00 C ATOM 125 O ASP A 12 10.349 -0.105 2.324 1.00 0.00 O ATOM 126 CB ASP A 12 10.960 0.766 -0.919 1.00 0.00 C ATOM 127 CG ASP A 12 12.335 0.987 -1.519 1.00 0.00 C ATOM 128 OD1 ASP A 12 12.940 0.003 -1.992 1.00 0.00 O ATOM 129 OD2 ASP A 12 12.806 2.143 -1.514 1.00 0.00 O ATOM 0 H ASP A 12 10.470 -1.512 -1.732 1.00 0.00 H new ATOM 0 HA ASP A 12 11.910 -0.604 0.435 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.235 0.627 -1.721 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.660 1.658 -0.369 1.00 0.00 H new ATOM 134 N TRP A 13 8.669 -0.044 0.830 1.00 0.00 N ATOM 135 CA TRP A 13 7.641 0.211 1.833 1.00 0.00 C ATOM 136 C TRP A 13 7.613 -0.899 2.878 1.00 0.00 C ATOM 137 O TRP A 13 7.868 -0.660 4.058 1.00 0.00 O ATOM 138 CB TRP A 13 6.270 0.337 1.167 1.00 0.00 C ATOM 139 CG TRP A 13 5.171 -0.329 1.939 1.00 0.00 C ATOM 140 CD1 TRP A 13 4.726 0.006 3.186 1.00 0.00 C ATOM 141 CD2 TRP A 13 4.381 -1.446 1.515 1.00 0.00 C ATOM 142 NE1 TRP A 13 3.707 -0.835 3.563 1.00 0.00 N ATOM 143 CE2 TRP A 13 3.476 -1.734 2.555 1.00 0.00 C ATOM 144 CE3 TRP A 13 4.350 -2.228 0.358 1.00 0.00 C ATOM 145 CZ2 TRP A 13 2.552 -2.772 2.470 1.00 0.00 C ATOM 146 CZ3 TRP A 13 3.432 -3.258 0.276 1.00 0.00 C ATOM 147 CH2 TRP A 13 2.543 -3.522 1.326 1.00 0.00 C ATOM 0 H TRP A 13 8.319 -0.105 -0.126 1.00 0.00 H new ATOM 0 HA TRP A 13 7.881 1.149 2.333 1.00 0.00 H new ATOM 0 HB2 TRP A 13 6.029 1.393 1.044 1.00 0.00 H new ATOM 0 HB3 TRP A 13 6.318 -0.097 0.168 1.00 0.00 H new ATOM 0 HD1 TRP A 13 5.117 0.813 3.787 1.00 0.00 H new ATOM 0 HE1 TRP A 13 3.204 -0.796 4.450 1.00 0.00 H new ATOM 0 HE3 TRP A 13 5.031 -2.031 -0.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 1.866 -2.978 3.279 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 3.399 -3.870 -0.613 1.00 0.00 H new ATOM 0 HH2 TRP A 13 1.837 -4.333 1.230 1.00 0.00 H new ATOM 158 N LEU A 14 7.300 -2.113 2.436 1.00 0.00 N ATOM 159 CA LEU A 14 7.239 -3.260 3.334 1.00 0.00 C ATOM 160 C LEU A 14 8.440 -3.282 4.273 1.00 0.00 C ATOM 161 O LEU A 14 8.295 -3.478 5.480 1.00 0.00 O ATOM 162 CB LEU A 14 7.182 -4.561 2.530 1.00 0.00 C ATOM 163 CG LEU A 14 5.822 -4.878 1.909 1.00 0.00 C ATOM 164 CD1 LEU A 14 5.945 -6.014 0.904 1.00 0.00 C ATOM 165 CD2 LEU A 14 4.811 -5.229 2.990 1.00 0.00 C ATOM 0 H LEU A 14 7.085 -2.327 1.462 1.00 0.00 H new ATOM 0 HA LEU A 14 6.334 -3.171 3.934 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.925 -4.511 1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.468 -5.386 3.182 1.00 0.00 H new ATOM 0 HG LEU A 14 5.469 -3.991 1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.967 -6.225 0.472 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.636 -5.726 0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.320 -6.905 1.407 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.848 -5.452 2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.159 -6.101 3.544 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.700 -4.386 3.672 1.00 0.00 H new ATOM 177 N ASP A 15 9.627 -3.078 3.711 1.00 0.00 N ATOM 178 CA ASP A 15 10.855 -3.072 4.497 1.00 0.00 C ATOM 179 C ASP A 15 10.708 -2.184 5.729 1.00 0.00 C ATOM 180 O ASP A 15 11.108 -2.561 6.830 1.00 0.00 O ATOM 181 CB ASP A 15 12.030 -2.592 3.644 1.00 0.00 C ATOM 182 CG ASP A 15 13.371 -2.985 4.232 1.00 0.00 C ATOM 183 OD1 ASP A 15 13.863 -4.085 3.905 1.00 0.00 O ATOM 184 OD2 ASP A 15 13.928 -2.191 5.019 1.00 0.00 O ATOM 0 H ASP A 15 9.764 -2.915 2.714 1.00 0.00 H new ATOM 0 HA ASP A 15 11.050 -4.092 4.828 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.941 -3.008 2.641 1.00 0.00 H new ATOM 0 HB3 ASP A 15 11.984 -1.508 3.545 1.00 0.00 H new ATOM 189 N SER A 16 10.132 -1.002 5.534 1.00 0.00 N ATOM 190 CA SER A 16 9.937 -0.057 6.628 1.00 0.00 C ATOM 191 C SER A 16 9.234 -0.727 7.805 1.00 0.00 C ATOM 192 O SER A 16 9.620 -0.541 8.959 1.00 0.00 O ATOM 193 CB SER A 16 9.122 1.146 6.151 1.00 0.00 C ATOM 194 OG SER A 16 9.212 2.220 7.071 1.00 0.00 O ATOM 0 H SER A 16 9.792 -0.676 4.629 1.00 0.00 H new ATOM 0 HA SER A 16 10.917 0.285 6.959 1.00 0.00 H new ATOM 0 HB2 SER A 16 9.482 1.469 5.174 1.00 0.00 H new ATOM 0 HB3 SER A 16 8.079 0.856 6.027 1.00 0.00 H new ATOM 0 HG SER A 16 8.684 2.977 6.743 1.00 0.00 H new ATOM 200 N ILE A 17 8.202 -1.507 7.504 1.00 0.00 N ATOM 201 CA ILE A 17 7.446 -2.205 8.536 1.00 0.00 C ATOM 202 C ILE A 17 8.030 -3.588 8.804 1.00 0.00 C ATOM 203 O ILE A 17 7.399 -4.425 9.450 1.00 0.00 O ATOM 204 CB ILE A 17 5.963 -2.353 8.145 1.00 0.00 C ATOM 205 CG1 ILE A 17 5.828 -3.224 6.894 1.00 0.00 C ATOM 206 CG2 ILE A 17 5.337 -0.986 7.916 1.00 0.00 C ATOM 207 CD1 ILE A 17 4.393 -3.505 6.507 1.00 0.00 C ATOM 0 H ILE A 17 7.870 -1.672 6.554 1.00 0.00 H new ATOM 0 HA ILE A 17 7.516 -1.602 9.441 1.00 0.00 H new ATOM 0 HB ILE A 17 5.433 -2.841 8.963 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.331 -2.731 6.062 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.343 -4.170 7.062 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.289 -1.107 7.640 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.406 -0.396 8.830 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.866 -0.473 7.113 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.373 -4.127 5.612 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.891 -4.026 7.323 1.00 0.00 H new ATOM 0 HD13 ILE A 17 3.879 -2.565 6.307 1.00 0.00 H new ATOM 219 N ARG A 18 9.239 -3.821 8.305 1.00 0.00 N ATOM 220 CA ARG A 18 9.909 -5.102 8.490 1.00 0.00 C ATOM 221 C ARG A 18 9.108 -6.233 7.851 1.00 0.00 C ATOM 222 O ARG A 18 9.096 -7.357 8.351 1.00 0.00 O ATOM 223 CB ARG A 18 10.111 -5.385 9.980 1.00 0.00 C ATOM 224 CG ARG A 18 11.269 -4.616 10.595 1.00 0.00 C ATOM 225 CD ARG A 18 12.607 -5.241 10.235 1.00 0.00 C ATOM 226 NE ARG A 18 12.847 -6.481 10.968 1.00 0.00 N ATOM 227 CZ ARG A 18 13.849 -7.311 10.701 1.00 0.00 C ATOM 228 NH1 ARG A 18 14.700 -7.035 9.722 1.00 0.00 N ATOM 229 NH2 ARG A 18 14.002 -8.420 11.413 1.00 0.00 N ATOM 0 H ARG A 18 9.775 -3.139 7.769 1.00 0.00 H new ATOM 0 HA ARG A 18 10.882 -5.048 8.001 1.00 0.00 H new ATOM 0 HB2 ARG A 18 9.195 -5.136 10.516 1.00 0.00 H new ATOM 0 HB3 ARG A 18 10.281 -6.453 10.119 1.00 0.00 H new ATOM 0 HG2 ARG A 18 11.245 -3.582 10.250 1.00 0.00 H new ATOM 0 HG3 ARG A 18 11.157 -4.593 11.679 1.00 0.00 H new ATOM 0 HD2 ARG A 18 12.637 -5.441 9.164 1.00 0.00 H new ATOM 0 HD3 ARG A 18 13.407 -4.533 10.449 1.00 0.00 H new ATOM 0 HE ARG A 18 12.210 -6.723 11.727 1.00 0.00 H new ATOM 0 HH11 ARG A 18 14.586 -6.184 9.172 1.00 0.00 H new ATOM 0 HH12 ARG A 18 15.469 -7.674 9.519 1.00 0.00 H new ATOM 0 HH21 ARG A 18 13.350 -8.636 12.167 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.772 -9.056 11.207 1.00 0.00 H new ATOM 243 N MET A 19 8.440 -5.925 6.744 1.00 0.00 N ATOM 244 CA MET A 19 7.637 -6.915 6.036 1.00 0.00 C ATOM 245 C MET A 19 8.149 -7.113 4.613 1.00 0.00 C ATOM 246 O MET A 19 7.616 -7.926 3.859 1.00 0.00 O ATOM 247 CB MET A 19 6.169 -6.486 6.008 1.00 0.00 C ATOM 248 CG MET A 19 5.519 -6.452 7.382 1.00 0.00 C ATOM 249 SD MET A 19 5.016 -8.086 7.953 1.00 0.00 S ATOM 250 CE MET A 19 6.182 -8.354 9.286 1.00 0.00 C ATOM 0 H MET A 19 8.439 -4.998 6.318 1.00 0.00 H new ATOM 0 HA MET A 19 7.721 -7.863 6.568 1.00 0.00 H new ATOM 0 HB2 MET A 19 6.097 -5.497 5.556 1.00 0.00 H new ATOM 0 HB3 MET A 19 5.611 -7.170 5.368 1.00 0.00 H new ATOM 0 HG2 MET A 19 6.217 -6.020 8.099 1.00 0.00 H new ATOM 0 HG3 MET A 19 4.648 -5.798 7.351 1.00 0.00 H new ATOM 0 HE1 MET A 19 5.720 -8.973 10.055 1.00 0.00 H new ATOM 0 HE2 MET A 19 7.068 -8.857 8.899 1.00 0.00 H new ATOM 0 HE3 MET A 19 6.469 -7.395 9.717 1.00 0.00 H new ATOM 260 N GLY A 20 9.186 -6.364 4.252 1.00 0.00 N ATOM 261 CA GLY A 20 9.751 -6.472 2.919 1.00 0.00 C ATOM 262 C GLY A 20 10.102 -7.901 2.553 1.00 0.00 C ATOM 263 O GLY A 20 10.214 -8.237 1.374 1.00 0.00 O ATOM 0 H GLY A 20 9.645 -5.684 4.858 1.00 0.00 H new ATOM 0 HA2 GLY A 20 9.040 -6.078 2.193 1.00 0.00 H new ATOM 0 HA3 GLY A 20 10.646 -5.853 2.856 1.00 0.00 H new ATOM 267 N ARG A 21 10.278 -8.744 3.565 1.00 0.00 N ATOM 268 CA ARG A 21 10.621 -10.143 3.344 1.00 0.00 C ATOM 269 C ARG A 21 9.506 -10.864 2.592 1.00 0.00 C ATOM 270 O ARG A 21 9.736 -11.895 1.960 1.00 0.00 O ATOM 271 CB ARG A 21 10.886 -10.843 4.678 1.00 0.00 C ATOM 272 CG ARG A 21 9.620 -11.231 5.424 1.00 0.00 C ATOM 273 CD ARG A 21 9.929 -12.106 6.629 1.00 0.00 C ATOM 274 NE ARG A 21 10.231 -13.482 6.242 1.00 0.00 N ATOM 275 CZ ARG A 21 10.931 -14.321 6.998 1.00 0.00 C ATOM 276 NH1 ARG A 21 11.398 -13.926 8.174 1.00 0.00 N ATOM 277 NH2 ARG A 21 11.163 -15.558 6.578 1.00 0.00 N ATOM 0 H ARG A 21 10.189 -8.482 4.547 1.00 0.00 H new ATOM 0 HA ARG A 21 11.526 -10.177 2.738 1.00 0.00 H new ATOM 0 HB2 ARG A 21 11.480 -11.739 4.497 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.484 -10.187 5.311 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.099 -10.331 5.751 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.948 -11.762 4.750 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.776 -11.688 7.173 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.078 -12.099 7.310 1.00 0.00 H new ATOM 0 HE ARG A 21 9.886 -13.817 5.343 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.220 -12.976 8.500 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.935 -14.572 8.753 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.804 -15.865 5.674 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.700 -16.201 7.159 1.00 0.00 H new ATOM 291 N TYR A 22 8.299 -10.314 2.665 1.00 0.00 N ATOM 292 CA TYR A 22 7.148 -10.906 1.994 1.00 0.00 C ATOM 293 C TYR A 22 6.966 -10.314 0.600 1.00 0.00 C ATOM 294 O TYR A 22 6.168 -10.807 -0.197 1.00 0.00 O ATOM 295 CB TYR A 22 5.881 -10.688 2.822 1.00 0.00 C ATOM 296 CG TYR A 22 5.758 -11.629 3.999 1.00 0.00 C ATOM 297 CD1 TYR A 22 5.640 -13.000 3.808 1.00 0.00 C ATOM 298 CD2 TYR A 22 5.758 -11.147 5.302 1.00 0.00 C ATOM 299 CE1 TYR A 22 5.527 -13.864 4.881 1.00 0.00 C ATOM 300 CE2 TYR A 22 5.646 -12.003 6.381 1.00 0.00 C ATOM 301 CZ TYR A 22 5.531 -13.361 6.165 1.00 0.00 C ATOM 302 OH TYR A 22 5.418 -14.217 7.236 1.00 0.00 O ATOM 0 H TYR A 22 8.092 -9.459 3.182 1.00 0.00 H new ATOM 0 HA TYR A 22 7.329 -11.976 1.894 1.00 0.00 H new ATOM 0 HB2 TYR A 22 5.867 -9.661 3.186 1.00 0.00 H new ATOM 0 HB3 TYR A 22 5.010 -10.810 2.178 1.00 0.00 H new ATOM 0 HD1 TYR A 22 5.636 -13.398 2.804 1.00 0.00 H new ATOM 0 HD2 TYR A 22 5.847 -10.085 5.475 1.00 0.00 H new ATOM 0 HE1 TYR A 22 5.436 -14.927 4.715 1.00 0.00 H new ATOM 0 HE2 TYR A 22 5.648 -11.611 7.388 1.00 0.00 H new ATOM 0 HH TYR A 22 6.271 -14.254 7.716 1.00 0.00 H new ATOM 312 N ARG A 23 7.713 -9.252 0.313 1.00 0.00 N ATOM 313 CA ARG A 23 7.635 -8.591 -0.984 1.00 0.00 C ATOM 314 C ARG A 23 7.466 -9.612 -2.105 1.00 0.00 C ATOM 315 O ARG A 23 6.485 -9.577 -2.848 1.00 0.00 O ATOM 316 CB ARG A 23 8.890 -7.751 -1.228 1.00 0.00 C ATOM 317 CG ARG A 23 8.816 -6.897 -2.484 1.00 0.00 C ATOM 318 CD ARG A 23 10.187 -6.722 -3.119 1.00 0.00 C ATOM 319 NE ARG A 23 10.094 -6.245 -4.496 1.00 0.00 N ATOM 320 CZ ARG A 23 11.063 -6.395 -5.393 1.00 0.00 C ATOM 321 NH1 ARG A 23 12.191 -7.006 -5.058 1.00 0.00 N ATOM 322 NH2 ARG A 23 10.904 -5.933 -6.627 1.00 0.00 N ATOM 0 H ARG A 23 8.379 -8.831 0.961 1.00 0.00 H new ATOM 0 HA ARG A 23 6.764 -7.936 -0.979 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.056 -7.103 -0.367 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.752 -8.414 -1.300 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.138 -7.360 -3.201 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.400 -5.920 -2.237 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.772 -6.016 -2.529 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.720 -7.673 -3.100 1.00 0.00 H new ATOM 0 HE ARG A 23 9.239 -5.771 -4.785 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.316 -7.362 -4.110 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.934 -7.120 -5.748 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.037 -5.462 -6.888 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.648 -6.049 -7.315 1.00 0.00 H new ATOM 336 N ASP A 24 8.430 -10.519 -2.222 1.00 0.00 N ATOM 337 CA ASP A 24 8.389 -11.550 -3.253 1.00 0.00 C ATOM 338 C ASP A 24 6.973 -12.091 -3.423 1.00 0.00 C ATOM 339 O ASP A 24 6.537 -12.376 -4.539 1.00 0.00 O ATOM 340 CB ASP A 24 9.345 -12.690 -2.901 1.00 0.00 C ATOM 341 CG ASP A 24 10.739 -12.470 -3.457 1.00 0.00 C ATOM 342 OD1 ASP A 24 11.291 -11.368 -3.253 1.00 0.00 O ATOM 343 OD2 ASP A 24 11.276 -13.399 -4.095 1.00 0.00 O ATOM 0 H ASP A 24 9.249 -10.561 -1.616 1.00 0.00 H new ATOM 0 HA ASP A 24 8.703 -11.101 -4.195 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.401 -12.791 -1.817 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.946 -13.627 -3.289 1.00 0.00 H new ATOM 348 N HIS A 25 6.260 -12.231 -2.310 1.00 0.00 N ATOM 349 CA HIS A 25 4.893 -12.739 -2.337 1.00 0.00 C ATOM 350 C HIS A 25 3.993 -11.833 -3.173 1.00 0.00 C ATOM 351 O HIS A 25 3.406 -12.268 -4.164 1.00 0.00 O ATOM 352 CB HIS A 25 4.341 -12.854 -0.915 1.00 0.00 C ATOM 353 CG HIS A 25 5.173 -13.718 -0.018 1.00 0.00 C ATOM 354 ND1 HIS A 25 4.696 -14.870 0.571 1.00 0.00 N ATOM 355 CD2 HIS A 25 6.458 -13.594 0.388 1.00 0.00 C ATOM 356 CE1 HIS A 25 5.651 -15.416 1.302 1.00 0.00 C ATOM 357 NE2 HIS A 25 6.731 -14.662 1.208 1.00 0.00 N ATOM 0 H HIS A 25 6.606 -12.000 -1.379 1.00 0.00 H new ATOM 0 HA HIS A 25 4.908 -13.728 -2.794 1.00 0.00 H new ATOM 0 HB2 HIS A 25 4.268 -11.857 -0.480 1.00 0.00 H new ATOM 0 HB3 HIS A 25 3.329 -13.257 -0.958 1.00 0.00 H new ATOM 0 HD1 HIS A 25 3.753 -15.242 0.460 1.00 0.00 H new ATOM 0 HD2 HIS A 25 7.142 -12.803 0.118 1.00 0.00 H new ATOM 0 HE1 HIS A 25 5.563 -16.325 1.879 1.00 0.00 H new ATOM 366 N PHE A 26 3.889 -10.573 -2.766 1.00 0.00 N ATOM 367 CA PHE A 26 3.059 -9.606 -3.476 1.00 0.00 C ATOM 368 C PHE A 26 3.282 -9.701 -4.983 1.00 0.00 C ATOM 369 O PHE A 26 2.330 -9.738 -5.761 1.00 0.00 O ATOM 370 CB PHE A 26 3.364 -8.187 -2.992 1.00 0.00 C ATOM 371 CG PHE A 26 2.651 -7.820 -1.723 1.00 0.00 C ATOM 372 CD1 PHE A 26 3.165 -8.193 -0.491 1.00 0.00 C ATOM 373 CD2 PHE A 26 1.466 -7.103 -1.761 1.00 0.00 C ATOM 374 CE1 PHE A 26 2.511 -7.857 0.679 1.00 0.00 C ATOM 375 CE2 PHE A 26 0.809 -6.763 -0.594 1.00 0.00 C ATOM 376 CZ PHE A 26 1.331 -7.142 0.628 1.00 0.00 C ATOM 0 H PHE A 26 4.369 -10.197 -1.948 1.00 0.00 H new ATOM 0 HA PHE A 26 2.015 -9.837 -3.266 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.438 -8.088 -2.837 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.087 -7.478 -3.773 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.087 -8.753 -0.445 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.051 -6.807 -2.713 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.923 -8.153 1.632 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.112 -6.201 -0.637 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.817 -6.880 1.541 1.00 0.00 H new ATOM 386 N ALA A 27 4.548 -9.740 -5.386 1.00 0.00 N ATOM 387 CA ALA A 27 4.897 -9.832 -6.798 1.00 0.00 C ATOM 388 C ALA A 27 4.219 -11.030 -7.454 1.00 0.00 C ATOM 389 O ALA A 27 3.908 -11.004 -8.644 1.00 0.00 O ATOM 390 CB ALA A 27 6.407 -9.922 -6.964 1.00 0.00 C ATOM 0 H ALA A 27 5.348 -9.709 -4.755 1.00 0.00 H new ATOM 0 HA ALA A 27 4.541 -8.929 -7.294 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.653 -9.990 -8.024 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.873 -9.033 -6.540 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.778 -10.808 -6.448 1.00 0.00 H new ATOM 396 N ALA A 28 3.995 -12.080 -6.671 1.00 0.00 N ATOM 397 CA ALA A 28 3.353 -13.287 -7.176 1.00 0.00 C ATOM 398 C ALA A 28 1.847 -13.090 -7.318 1.00 0.00 C ATOM 399 O ALA A 28 1.230 -13.597 -8.253 1.00 0.00 O ATOM 400 CB ALA A 28 3.648 -14.465 -6.259 1.00 0.00 C ATOM 0 H ALA A 28 4.249 -12.119 -5.684 1.00 0.00 H new ATOM 0 HA ALA A 28 3.761 -13.499 -8.165 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.162 -15.360 -6.648 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.725 -14.628 -6.211 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.269 -14.252 -5.260 1.00 0.00 H new ATOM 406 N GLY A 29 1.261 -12.349 -6.382 1.00 0.00 N ATOM 407 CA GLY A 29 -0.168 -12.099 -6.421 1.00 0.00 C ATOM 408 C GLY A 29 -0.543 -11.035 -7.434 1.00 0.00 C ATOM 409 O GLY A 29 -1.698 -10.619 -7.509 1.00 0.00 O ATOM 0 H GLY A 29 1.750 -11.918 -5.598 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.689 -13.025 -6.662 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.507 -11.790 -5.432 1.00 0.00 H new ATOM 413 N GLY A 30 0.438 -10.592 -8.215 1.00 0.00 N ATOM 414 CA GLY A 30 0.185 -9.573 -9.216 1.00 0.00 C ATOM 415 C GLY A 30 0.409 -8.170 -8.686 1.00 0.00 C ATOM 416 O GLY A 30 -0.013 -7.191 -9.302 1.00 0.00 O ATOM 0 H GLY A 30 1.403 -10.921 -8.172 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.835 -9.742 -10.074 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.841 -9.664 -9.571 1.00 0.00 H new ATOM 420 N TYR A 31 1.071 -8.072 -7.539 1.00 0.00 N ATOM 421 CA TYR A 31 1.346 -6.780 -6.923 1.00 0.00 C ATOM 422 C TYR A 31 2.848 -6.555 -6.776 1.00 0.00 C ATOM 423 O TYR A 31 3.488 -7.117 -5.887 1.00 0.00 O ATOM 424 CB TYR A 31 0.670 -6.689 -5.554 1.00 0.00 C ATOM 425 CG TYR A 31 -0.821 -6.941 -5.598 1.00 0.00 C ATOM 426 CD1 TYR A 31 -1.714 -5.905 -5.842 1.00 0.00 C ATOM 427 CD2 TYR A 31 -1.336 -8.215 -5.394 1.00 0.00 C ATOM 428 CE1 TYR A 31 -3.076 -6.131 -5.882 1.00 0.00 C ATOM 429 CE2 TYR A 31 -2.696 -8.450 -5.433 1.00 0.00 C ATOM 430 CZ TYR A 31 -3.562 -7.405 -5.678 1.00 0.00 C ATOM 431 OH TYR A 31 -4.918 -7.635 -5.716 1.00 0.00 O ATOM 0 H TYR A 31 1.427 -8.872 -7.017 1.00 0.00 H new ATOM 0 HA TYR A 31 0.942 -6.004 -7.573 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.133 -7.411 -4.881 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.851 -5.700 -5.134 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -1.337 -4.906 -6.003 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.661 -9.036 -5.202 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.757 -5.314 -6.072 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -3.080 -9.447 -5.273 1.00 0.00 H new ATOM 0 HH TYR A 31 -5.093 -8.585 -5.554 1.00 0.00 H new ATOM 441 N SER A 32 3.405 -5.727 -7.655 1.00 0.00 N ATOM 442 CA SER A 32 4.832 -5.429 -7.627 1.00 0.00 C ATOM 443 C SER A 32 5.071 -3.937 -7.411 1.00 0.00 C ATOM 444 O SER A 32 6.212 -3.477 -7.390 1.00 0.00 O ATOM 445 CB SER A 32 5.495 -5.880 -8.929 1.00 0.00 C ATOM 446 OG SER A 32 4.894 -5.255 -10.051 1.00 0.00 O ATOM 0 H SER A 32 2.889 -5.251 -8.395 1.00 0.00 H new ATOM 0 HA SER A 32 5.276 -5.975 -6.794 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.558 -5.640 -8.901 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.415 -6.963 -9.026 1.00 0.00 H new ATOM 0 HG SER A 32 5.337 -5.559 -10.871 1.00 0.00 H new ATOM 452 N SER A 33 3.985 -3.187 -7.252 1.00 0.00 N ATOM 453 CA SER A 33 4.075 -1.747 -7.042 1.00 0.00 C ATOM 454 C SER A 33 3.188 -1.311 -5.880 1.00 0.00 C ATOM 455 O SER A 33 2.351 -2.076 -5.402 1.00 0.00 O ATOM 456 CB SER A 33 3.671 -0.999 -8.314 1.00 0.00 C ATOM 457 OG SER A 33 4.326 -1.535 -9.451 1.00 0.00 O ATOM 0 H SER A 33 3.033 -3.553 -7.265 1.00 0.00 H new ATOM 0 HA SER A 33 5.109 -1.504 -6.798 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.591 -1.062 -8.449 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.918 0.058 -8.212 1.00 0.00 H new ATOM 0 HG SER A 33 4.050 -1.041 -10.251 1.00 0.00 H new ATOM 463 N LEU A 34 3.380 -0.076 -5.429 1.00 0.00 N ATOM 464 CA LEU A 34 2.598 0.463 -4.322 1.00 0.00 C ATOM 465 C LEU A 34 1.227 0.928 -4.800 1.00 0.00 C ATOM 466 O LEU A 34 0.217 0.706 -4.133 1.00 0.00 O ATOM 467 CB LEU A 34 3.344 1.627 -3.664 1.00 0.00 C ATOM 468 CG LEU A 34 4.335 1.225 -2.571 1.00 0.00 C ATOM 469 CD1 LEU A 34 3.658 1.225 -1.210 1.00 0.00 C ATOM 470 CD2 LEU A 34 4.933 -0.142 -2.871 1.00 0.00 C ATOM 0 H LEU A 34 4.070 0.570 -5.812 1.00 0.00 H new ATOM 0 HA LEU A 34 2.456 -0.331 -3.589 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.882 2.177 -4.436 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.612 2.312 -3.236 1.00 0.00 H new ATOM 0 HG LEU A 34 5.142 1.957 -2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.379 0.936 -0.445 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.278 2.223 -0.993 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.831 0.515 -1.215 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.636 -0.412 -2.083 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.137 -0.885 -2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.455 -0.109 -3.827 1.00 0.00 H new ATOM 482 N GLY A 35 1.199 1.576 -5.960 1.00 0.00 N ATOM 483 CA GLY A 35 -0.053 2.063 -6.509 1.00 0.00 C ATOM 484 C GLY A 35 -1.133 0.999 -6.523 1.00 0.00 C ATOM 485 O GLY A 35 -2.309 1.295 -6.314 1.00 0.00 O ATOM 0 H GLY A 35 2.022 1.773 -6.530 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.395 2.916 -5.923 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.114 2.420 -7.525 1.00 0.00 H new ATOM 489 N MET A 36 -0.733 -0.244 -6.772 1.00 0.00 N ATOM 490 CA MET A 36 -1.675 -1.356 -6.814 1.00 0.00 C ATOM 491 C MET A 36 -1.853 -1.970 -5.429 1.00 0.00 C ATOM 492 O MET A 36 -2.931 -2.458 -5.089 1.00 0.00 O ATOM 493 CB MET A 36 -1.196 -2.423 -7.800 1.00 0.00 C ATOM 494 CG MET A 36 0.183 -2.974 -7.475 1.00 0.00 C ATOM 495 SD MET A 36 0.958 -3.783 -8.887 1.00 0.00 S ATOM 496 CE MET A 36 0.678 -2.566 -10.171 1.00 0.00 C ATOM 0 H MET A 36 0.237 -0.506 -6.948 1.00 0.00 H new ATOM 0 HA MET A 36 -2.638 -0.970 -7.148 1.00 0.00 H new ATOM 0 HB2 MET A 36 -1.913 -3.244 -7.811 1.00 0.00 H new ATOM 0 HB3 MET A 36 -1.182 -1.998 -8.804 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.823 -2.161 -7.131 1.00 0.00 H new ATOM 0 HG3 MET A 36 0.101 -3.686 -6.653 1.00 0.00 H new ATOM 0 HE1 MET A 36 1.465 -2.641 -10.921 1.00 0.00 H new ATOM 0 HE2 MET A 36 -0.289 -2.748 -10.640 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.687 -1.567 -9.734 1.00 0.00 H new ATOM 506 N VAL A 37 -0.789 -1.942 -4.633 1.00 0.00 N ATOM 507 CA VAL A 37 -0.828 -2.495 -3.284 1.00 0.00 C ATOM 508 C VAL A 37 -1.818 -1.736 -2.407 1.00 0.00 C ATOM 509 O VAL A 37 -2.497 -2.325 -1.566 1.00 0.00 O ATOM 510 CB VAL A 37 0.562 -2.458 -2.622 1.00 0.00 C ATOM 511 CG1 VAL A 37 0.432 -2.477 -1.106 1.00 0.00 C ATOM 512 CG2 VAL A 37 1.414 -3.620 -3.107 1.00 0.00 C ATOM 0 H VAL A 37 0.111 -1.542 -4.899 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.150 -3.532 -3.376 1.00 0.00 H new ATOM 0 HB VAL A 37 1.057 -1.530 -2.909 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.424 -2.450 -0.655 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.139 -1.608 -0.779 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.083 -3.386 -0.796 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.393 -3.578 -2.629 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.926 -4.561 -2.852 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.535 -3.556 -4.188 1.00 0.00 H new ATOM 522 N LEU A 38 -1.895 -0.425 -2.610 1.00 0.00 N ATOM 523 CA LEU A 38 -2.802 0.416 -1.838 1.00 0.00 C ATOM 524 C LEU A 38 -4.251 -0.008 -2.051 1.00 0.00 C ATOM 525 O LEU A 38 -5.140 0.378 -1.292 1.00 0.00 O ATOM 526 CB LEU A 38 -2.625 1.885 -2.229 1.00 0.00 C ATOM 527 CG LEU A 38 -1.285 2.504 -1.831 1.00 0.00 C ATOM 528 CD1 LEU A 38 -1.259 3.986 -2.170 1.00 0.00 C ATOM 529 CD2 LEU A 38 -1.019 2.290 -0.349 1.00 0.00 C ATOM 0 H LEU A 38 -1.340 0.078 -3.303 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.559 0.296 -0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.743 1.974 -3.309 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.426 2.466 -1.772 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.496 2.009 -2.397 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.297 4.409 -1.879 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.404 4.117 -3.242 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.057 4.496 -1.632 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.061 2.737 -0.083 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.812 2.758 0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.993 1.222 -0.135 1.00 0.00 H new ATOM 541 N ARG A 39 -4.482 -0.805 -3.089 1.00 0.00 N ATOM 542 CA ARG A 39 -5.823 -1.281 -3.404 1.00 0.00 C ATOM 543 C ARG A 39 -6.042 -2.689 -2.858 1.00 0.00 C ATOM 544 O ARG A 39 -7.148 -3.225 -2.921 1.00 0.00 O ATOM 545 CB ARG A 39 -6.050 -1.268 -4.917 1.00 0.00 C ATOM 546 CG ARG A 39 -5.593 0.015 -5.590 1.00 0.00 C ATOM 547 CD ARG A 39 -6.380 0.288 -6.862 1.00 0.00 C ATOM 548 NE ARG A 39 -5.725 1.281 -7.709 1.00 0.00 N ATOM 549 CZ ARG A 39 -6.362 1.996 -8.630 1.00 0.00 C ATOM 550 NH1 ARG A 39 -7.663 1.829 -8.822 1.00 0.00 N ATOM 551 NH2 ARG A 39 -5.696 2.881 -9.362 1.00 0.00 N ATOM 0 H ARG A 39 -3.757 -1.135 -3.726 1.00 0.00 H new ATOM 0 HA ARG A 39 -6.540 -0.610 -2.930 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.521 -2.110 -5.363 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.111 -1.416 -5.118 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.712 0.851 -4.901 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.531 -0.055 -5.826 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.501 -0.641 -7.420 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.380 0.636 -6.602 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.724 1.434 -7.587 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.178 1.150 -8.262 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.149 2.380 -9.530 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.695 3.012 -9.217 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.185 3.430 -10.069 1.00 0.00 H new ATOM 565 N MET A 40 -4.980 -3.283 -2.323 1.00 0.00 N ATOM 566 CA MET A 40 -5.057 -4.628 -1.766 1.00 0.00 C ATOM 567 C MET A 40 -5.745 -4.614 -0.404 1.00 0.00 C ATOM 568 O MET A 40 -6.022 -3.551 0.150 1.00 0.00 O ATOM 569 CB MET A 40 -3.657 -5.231 -1.637 1.00 0.00 C ATOM 570 CG MET A 40 -3.124 -5.813 -2.936 1.00 0.00 C ATOM 571 SD MET A 40 -1.591 -6.735 -2.706 1.00 0.00 S ATOM 572 CE MET A 40 -2.097 -7.932 -1.474 1.00 0.00 C ATOM 0 H MET A 40 -4.057 -2.854 -2.264 1.00 0.00 H new ATOM 0 HA MET A 40 -5.648 -5.242 -2.446 1.00 0.00 H new ATOM 0 HB2 MET A 40 -2.970 -4.462 -1.284 1.00 0.00 H new ATOM 0 HB3 MET A 40 -3.676 -6.014 -0.879 1.00 0.00 H new ATOM 0 HG2 MET A 40 -3.877 -6.470 -3.371 1.00 0.00 H new ATOM 0 HG3 MET A 40 -2.955 -5.006 -3.649 1.00 0.00 H new ATOM 0 HE1 MET A 40 -1.462 -7.838 -0.593 1.00 0.00 H new ATOM 0 HE2 MET A 40 -3.135 -7.750 -1.195 1.00 0.00 H new ATOM 0 HE3 MET A 40 -2.002 -8.938 -1.883 1.00 0.00 H new ATOM 582 N ASN A 41 -6.017 -5.801 0.129 1.00 0.00 N ATOM 583 CA ASN A 41 -6.673 -5.924 1.426 1.00 0.00 C ATOM 584 C ASN A 41 -6.473 -7.320 2.006 1.00 0.00 C ATOM 585 O ASN A 41 -6.022 -8.233 1.314 1.00 0.00 O ATOM 586 CB ASN A 41 -8.168 -5.623 1.295 1.00 0.00 C ATOM 587 CG ASN A 41 -8.433 -4.210 0.814 1.00 0.00 C ATOM 588 OD1 ASN A 41 -8.292 -3.248 1.570 1.00 0.00 O ATOM 589 ND2 ASN A 41 -8.820 -4.077 -0.449 1.00 0.00 N ATOM 0 H ASN A 41 -5.793 -6.691 -0.317 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.221 -5.200 2.104 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.619 -6.331 0.600 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.652 -5.772 2.260 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -9.013 -3.150 -0.828 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -8.924 -4.902 -1.040 1.00 0.00 H new ATOM 596 N ALA A 42 -6.811 -7.479 3.281 1.00 0.00 N ATOM 597 CA ALA A 42 -6.672 -8.765 3.955 1.00 0.00 C ATOM 598 C ALA A 42 -6.929 -9.919 2.992 1.00 0.00 C ATOM 599 O ALA A 42 -6.175 -10.892 2.960 1.00 0.00 O ATOM 600 CB ALA A 42 -7.619 -8.844 5.143 1.00 0.00 C ATOM 0 H ALA A 42 -7.183 -6.733 3.869 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.647 -8.849 4.317 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.504 -9.809 5.636 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.386 -8.046 5.848 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -8.647 -8.733 4.797 1.00 0.00 H new ATOM 606 N GLN A 43 -7.998 -9.805 2.211 1.00 0.00 N ATOM 607 CA GLN A 43 -8.354 -10.841 1.249 1.00 0.00 C ATOM 608 C GLN A 43 -7.195 -11.126 0.300 1.00 0.00 C ATOM 609 O GLN A 43 -6.771 -12.272 0.149 1.00 0.00 O ATOM 610 CB GLN A 43 -9.590 -10.422 0.450 1.00 0.00 C ATOM 611 CG GLN A 43 -10.394 -11.595 -0.087 1.00 0.00 C ATOM 612 CD GLN A 43 -9.867 -12.106 -1.413 1.00 0.00 C ATOM 613 OE1 GLN A 43 -8.828 -12.765 -1.469 1.00 0.00 O ATOM 614 NE2 GLN A 43 -10.581 -11.803 -2.490 1.00 0.00 N ATOM 0 H GLN A 43 -8.632 -9.006 2.225 1.00 0.00 H new ATOM 0 HA GLN A 43 -8.579 -11.752 1.803 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -10.233 -9.812 1.085 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -9.277 -9.794 -0.384 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -10.379 -12.405 0.642 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -11.435 -11.293 -0.206 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -11.436 -11.254 -2.397 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -10.275 -12.119 -3.410 1.00 0.00 H new ATOM 623 N ASP A 44 -6.686 -10.076 -0.336 1.00 0.00 N ATOM 624 CA ASP A 44 -5.574 -10.213 -1.270 1.00 0.00 C ATOM 625 C ASP A 44 -4.285 -10.564 -0.532 1.00 0.00 C ATOM 626 O ASP A 44 -3.624 -11.552 -0.852 1.00 0.00 O ATOM 627 CB ASP A 44 -5.385 -8.920 -2.065 1.00 0.00 C ATOM 628 CG ASP A 44 -6.608 -8.562 -2.886 1.00 0.00 C ATOM 629 OD1 ASP A 44 -7.052 -9.408 -3.691 1.00 0.00 O ATOM 630 OD2 ASP A 44 -7.123 -7.436 -2.723 1.00 0.00 O ATOM 0 H ASP A 44 -7.026 -9.121 -0.222 1.00 0.00 H new ATOM 0 HA ASP A 44 -5.809 -11.023 -1.960 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -5.160 -8.104 -1.378 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.525 -9.026 -2.726 1.00 0.00 H new ATOM 635 N VAL A 45 -3.934 -9.747 0.456 1.00 0.00 N ATOM 636 CA VAL A 45 -2.724 -9.971 1.239 1.00 0.00 C ATOM 637 C VAL A 45 -2.623 -11.424 1.690 1.00 0.00 C ATOM 638 O VAL A 45 -1.618 -12.092 1.444 1.00 0.00 O ATOM 639 CB VAL A 45 -2.680 -9.056 2.477 1.00 0.00 C ATOM 640 CG1 VAL A 45 -1.483 -9.397 3.351 1.00 0.00 C ATOM 641 CG2 VAL A 45 -2.645 -7.594 2.058 1.00 0.00 C ATOM 0 H VAL A 45 -4.470 -8.925 0.733 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.879 -9.735 0.592 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.585 -9.221 3.061 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.469 -8.740 4.221 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.556 -10.433 3.680 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.565 -9.262 2.779 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.614 -6.962 2.945 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.759 -7.411 1.451 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.537 -7.361 1.477 1.00 0.00 H new ATOM 651 N ARG A 46 -3.670 -11.907 2.351 1.00 0.00 N ATOM 652 CA ARG A 46 -3.698 -13.281 2.838 1.00 0.00 C ATOM 653 C ARG A 46 -3.253 -14.253 1.749 1.00 0.00 C ATOM 654 O ARG A 46 -2.460 -15.160 2.000 1.00 0.00 O ATOM 655 CB ARG A 46 -5.104 -13.645 3.318 1.00 0.00 C ATOM 656 CG ARG A 46 -5.138 -14.847 4.248 1.00 0.00 C ATOM 657 CD ARG A 46 -4.498 -16.067 3.606 1.00 0.00 C ATOM 658 NE ARG A 46 -5.016 -17.314 4.163 1.00 0.00 N ATOM 659 CZ ARG A 46 -6.152 -17.879 3.769 1.00 0.00 C ATOM 660 NH1 ARG A 46 -6.885 -17.311 2.821 1.00 0.00 N ATOM 661 NH2 ARG A 46 -6.557 -19.014 4.324 1.00 0.00 N ATOM 0 H ARG A 46 -4.510 -11.367 2.561 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.004 -13.358 3.675 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.537 -12.787 3.832 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.733 -13.849 2.452 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.616 -14.606 5.174 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.171 -15.074 4.513 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.678 -16.048 2.531 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.418 -16.027 3.749 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.476 -17.776 4.894 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.577 -16.438 2.392 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.757 -17.747 2.520 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.996 -19.453 5.054 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.429 -19.447 4.021 1.00 0.00 H new ATOM 675 N ALA A 47 -3.769 -14.056 0.540 1.00 0.00 N ATOM 676 CA ALA A 47 -3.423 -14.913 -0.587 1.00 0.00 C ATOM 677 C ALA A 47 -1.917 -14.934 -0.819 1.00 0.00 C ATOM 678 O ALA A 47 -1.358 -15.945 -1.244 1.00 0.00 O ATOM 679 CB ALA A 47 -4.147 -14.451 -1.843 1.00 0.00 C ATOM 0 H ALA A 47 -4.428 -13.310 0.316 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.741 -15.928 -0.351 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.879 -15.100 -2.677 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.224 -14.496 -1.680 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.857 -13.426 -2.074 1.00 0.00 H new ATOM 685 N LEU A 48 -1.264 -13.811 -0.538 1.00 0.00 N ATOM 686 CA LEU A 48 0.180 -13.700 -0.717 1.00 0.00 C ATOM 687 C LEU A 48 0.918 -14.661 0.209 1.00 0.00 C ATOM 688 O LEU A 48 2.056 -15.046 -0.057 1.00 0.00 O ATOM 689 CB LEU A 48 0.638 -12.264 -0.453 1.00 0.00 C ATOM 690 CG LEU A 48 0.017 -11.208 -1.368 1.00 0.00 C ATOM 691 CD1 LEU A 48 0.660 -9.851 -1.131 1.00 0.00 C ATOM 692 CD2 LEU A 48 0.156 -11.619 -2.826 1.00 0.00 C ATOM 0 H LEU A 48 -1.711 -12.965 -0.185 1.00 0.00 H new ATOM 0 HA LEU A 48 0.416 -13.965 -1.748 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.405 -12.009 0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.722 -12.220 -0.556 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.044 -11.129 -1.133 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.205 -9.113 -1.791 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.508 -9.553 -0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.728 -9.913 -1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.291 -10.856 -3.463 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.212 -11.726 -3.075 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.353 -12.570 -2.986 1.00 0.00 H new ATOM 704 N GLY A 49 0.262 -15.044 1.300 1.00 0.00 N ATOM 705 CA GLY A 49 0.871 -15.956 2.250 1.00 0.00 C ATOM 706 C GLY A 49 0.972 -15.363 3.641 1.00 0.00 C ATOM 707 O GLY A 49 0.961 -16.089 4.635 1.00 0.00 O ATOM 0 H GLY A 49 -0.681 -14.739 1.543 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.287 -16.875 2.292 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.867 -16.227 1.901 1.00 0.00 H new ATOM 711 N ILE A 50 1.071 -14.040 3.712 1.00 0.00 N ATOM 712 CA ILE A 50 1.174 -13.350 4.992 1.00 0.00 C ATOM 713 C ILE A 50 -0.125 -13.461 5.783 1.00 0.00 C ATOM 714 O ILE A 50 -1.098 -12.760 5.503 1.00 0.00 O ATOM 715 CB ILE A 50 1.521 -11.861 4.803 1.00 0.00 C ATOM 716 CG1 ILE A 50 2.617 -11.700 3.747 1.00 0.00 C ATOM 717 CG2 ILE A 50 1.957 -11.246 6.124 1.00 0.00 C ATOM 718 CD1 ILE A 50 2.082 -11.521 2.343 1.00 0.00 C ATOM 0 H ILE A 50 1.082 -13.425 2.899 1.00 0.00 H new ATOM 0 HA ILE A 50 1.977 -13.834 5.547 1.00 0.00 H new ATOM 0 HB ILE A 50 0.630 -11.337 4.458 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.235 -10.839 4.004 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.265 -12.576 3.771 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.199 -10.194 5.973 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.149 -11.332 6.850 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.837 -11.771 6.497 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.914 -11.413 1.648 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.488 -12.392 2.066 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.457 -10.629 2.303 1.00 0.00 H new ATOM 730 N THR A 51 -0.133 -14.345 6.776 1.00 0.00 N ATOM 731 CA THR A 51 -1.312 -14.548 7.609 1.00 0.00 C ATOM 732 C THR A 51 -1.011 -14.242 9.071 1.00 0.00 C ATOM 733 O THR A 51 -1.914 -13.936 9.850 1.00 0.00 O ATOM 734 CB THR A 51 -1.837 -15.992 7.496 1.00 0.00 C ATOM 735 OG1 THR A 51 -0.849 -16.911 7.974 1.00 0.00 O ATOM 736 CG2 THR A 51 -2.195 -16.327 6.056 1.00 0.00 C ATOM 0 H THR A 51 0.664 -14.932 7.023 1.00 0.00 H new ATOM 0 HA THR A 51 -2.077 -13.861 7.247 1.00 0.00 H new ATOM 0 HB THR A 51 -2.736 -16.077 8.106 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.191 -17.826 7.900 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.563 -17.351 6.002 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.969 -15.644 5.705 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.310 -16.226 5.428 1.00 0.00 H new ATOM 744 N LEU A 52 0.263 -14.324 9.438 1.00 0.00 N ATOM 745 CA LEU A 52 0.684 -14.054 10.809 1.00 0.00 C ATOM 746 C LEU A 52 0.117 -12.727 11.300 1.00 0.00 C ATOM 747 O LEU A 52 0.477 -11.662 10.798 1.00 0.00 O ATOM 748 CB LEU A 52 2.211 -14.036 10.901 1.00 0.00 C ATOM 749 CG LEU A 52 2.875 -15.413 10.910 1.00 0.00 C ATOM 750 CD1 LEU A 52 2.545 -16.157 12.195 1.00 0.00 C ATOM 751 CD2 LEU A 52 2.440 -16.222 9.697 1.00 0.00 C ATOM 0 H LEU A 52 1.023 -14.575 8.806 1.00 0.00 H new ATOM 0 HA LEU A 52 0.298 -14.850 11.445 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.604 -13.466 10.059 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.499 -13.505 11.808 1.00 0.00 H new ATOM 0 HG LEU A 52 3.955 -15.275 10.862 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.026 -17.135 12.183 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.906 -15.585 13.050 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.465 -16.285 12.274 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.922 -17.199 9.719 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.358 -16.351 9.715 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.728 -15.696 8.787 1.00 0.00 H new ATOM 763 N MET A 53 -0.773 -12.798 12.285 1.00 0.00 N ATOM 764 CA MET A 53 -1.389 -11.601 12.845 1.00 0.00 C ATOM 765 C MET A 53 -0.396 -10.444 12.883 1.00 0.00 C ATOM 766 O MET A 53 -0.676 -9.357 12.381 1.00 0.00 O ATOM 767 CB MET A 53 -1.914 -11.884 14.254 1.00 0.00 C ATOM 768 CG MET A 53 -3.273 -12.565 14.272 1.00 0.00 C ATOM 769 SD MET A 53 -3.199 -14.277 13.711 1.00 0.00 S ATOM 770 CE MET A 53 -3.710 -14.097 12.004 1.00 0.00 C ATOM 0 H MET A 53 -1.083 -13.671 12.711 1.00 0.00 H new ATOM 0 HA MET A 53 -2.224 -11.318 12.203 1.00 0.00 H new ATOM 0 HB2 MET A 53 -1.195 -12.512 14.781 1.00 0.00 H new ATOM 0 HB3 MET A 53 -1.980 -10.945 14.803 1.00 0.00 H new ATOM 0 HG2 MET A 53 -3.677 -12.535 15.284 1.00 0.00 H new ATOM 0 HG3 MET A 53 -3.963 -12.008 13.638 1.00 0.00 H new ATOM 0 HE1 MET A 53 -3.280 -14.903 11.409 1.00 0.00 H new ATOM 0 HE2 MET A 53 -4.797 -14.141 11.943 1.00 0.00 H new ATOM 0 HE3 MET A 53 -3.364 -13.138 11.620 1.00 0.00 H new ATOM 780 N GLY A 54 0.766 -10.687 13.481 1.00 0.00 N ATOM 781 CA GLY A 54 1.783 -9.656 13.573 1.00 0.00 C ATOM 782 C GLY A 54 2.148 -9.079 12.219 1.00 0.00 C ATOM 783 O GLY A 54 2.202 -7.861 12.050 1.00 0.00 O ATOM 0 H GLY A 54 1.021 -11.580 13.903 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.427 -8.856 14.222 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.676 -10.071 14.040 1.00 0.00 H new ATOM 787 N HIS A 55 2.400 -9.956 11.253 1.00 0.00 N ATOM 788 CA HIS A 55 2.763 -9.527 9.907 1.00 0.00 C ATOM 789 C HIS A 55 1.568 -8.897 9.197 1.00 0.00 C ATOM 790 O HIS A 55 1.608 -7.728 8.813 1.00 0.00 O ATOM 791 CB HIS A 55 3.287 -10.711 9.095 1.00 0.00 C ATOM 792 CG HIS A 55 4.297 -11.539 9.827 1.00 0.00 C ATOM 793 ND1 HIS A 55 4.889 -12.660 9.283 1.00 0.00 N ATOM 794 CD2 HIS A 55 4.822 -11.403 11.067 1.00 0.00 C ATOM 795 CE1 HIS A 55 5.732 -13.178 10.158 1.00 0.00 C ATOM 796 NE2 HIS A 55 5.711 -12.434 11.249 1.00 0.00 N ATOM 0 H HIS A 55 2.360 -10.968 11.377 1.00 0.00 H new ATOM 0 HA HIS A 55 3.550 -8.778 9.991 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.448 -11.345 8.810 1.00 0.00 H new ATOM 0 HB3 HIS A 55 3.734 -10.339 8.173 1.00 0.00 H new ATOM 0 HD1 HIS A 55 4.705 -13.031 8.351 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.586 -10.628 11.781 1.00 0.00 H new ATOM 0 HE1 HIS A 55 6.336 -14.060 10.007 1.00 0.00 H new ATOM 805 N GLN A 56 0.508 -9.680 9.025 1.00 0.00 N ATOM 806 CA GLN A 56 -0.697 -9.198 8.360 1.00 0.00 C ATOM 807 C GLN A 56 -1.103 -7.829 8.894 1.00 0.00 C ATOM 808 O GLN A 56 -1.509 -6.949 8.134 1.00 0.00 O ATOM 809 CB GLN A 56 -1.843 -10.194 8.550 1.00 0.00 C ATOM 810 CG GLN A 56 -1.923 -11.246 7.456 1.00 0.00 C ATOM 811 CD GLN A 56 -3.294 -11.884 7.360 1.00 0.00 C ATOM 812 OE1 GLN A 56 -4.101 -11.794 8.286 1.00 0.00 O ATOM 813 NE2 GLN A 56 -3.567 -12.535 6.235 1.00 0.00 N ATOM 0 H GLN A 56 0.459 -10.650 9.337 1.00 0.00 H new ATOM 0 HA GLN A 56 -0.481 -9.103 7.296 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -1.725 -10.691 9.513 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -2.786 -9.648 8.587 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.671 -10.789 6.499 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.179 -12.020 7.646 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.869 -12.585 5.493 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.474 -12.985 6.113 1.00 0.00 H new ATOM 822 N LYS A 57 -0.992 -7.654 10.206 1.00 0.00 N ATOM 823 CA LYS A 57 -1.347 -6.392 10.844 1.00 0.00 C ATOM 824 C LYS A 57 -0.458 -5.259 10.340 1.00 0.00 C ATOM 825 O LYS A 57 -0.946 -4.193 9.963 1.00 0.00 O ATOM 826 CB LYS A 57 -1.224 -6.512 12.364 1.00 0.00 C ATOM 827 CG LYS A 57 -2.279 -7.408 12.991 1.00 0.00 C ATOM 828 CD LYS A 57 -3.518 -6.620 13.384 1.00 0.00 C ATOM 829 CE LYS A 57 -4.772 -7.477 13.305 1.00 0.00 C ATOM 830 NZ LYS A 57 -5.931 -6.826 13.976 1.00 0.00 N ATOM 0 H LYS A 57 -0.658 -8.372 10.849 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.381 -6.162 10.587 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.236 -6.901 12.611 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.295 -5.518 12.805 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.554 -8.194 12.288 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.864 -7.899 13.872 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.401 -6.238 14.398 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.624 -5.756 12.728 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.017 -7.667 12.260 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.580 -8.445 13.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.766 -7.441 13.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.707 -6.668 14.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.130 -5.914 13.518 1.00 0.00 H new ATOM 844 N LYS A 58 0.849 -5.497 10.333 1.00 0.00 N ATOM 845 CA LYS A 58 1.807 -4.499 9.873 1.00 0.00 C ATOM 846 C LYS A 58 1.521 -4.096 8.430 1.00 0.00 C ATOM 847 O LYS A 58 1.267 -2.926 8.141 1.00 0.00 O ATOM 848 CB LYS A 58 3.234 -5.039 9.990 1.00 0.00 C ATOM 849 CG LYS A 58 3.908 -4.695 11.307 1.00 0.00 C ATOM 850 CD LYS A 58 3.139 -5.257 12.491 1.00 0.00 C ATOM 851 CE LYS A 58 3.286 -4.375 13.721 1.00 0.00 C ATOM 852 NZ LYS A 58 4.483 -4.741 14.526 1.00 0.00 N ATOM 0 H LYS A 58 1.270 -6.374 10.641 1.00 0.00 H new ATOM 0 HA LYS A 58 1.707 -3.617 10.505 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.214 -6.123 9.874 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.832 -4.641 9.170 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.924 -5.090 11.311 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.987 -3.612 11.404 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.084 -5.348 12.231 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.499 -6.261 12.717 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.361 -3.332 13.413 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.392 -4.462 14.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.548 -4.117 15.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.400 -5.729 14.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.339 -4.634 13.944 1.00 0.00 H new ATOM 866 N ILE A 59 1.563 -5.072 7.529 1.00 0.00 N ATOM 867 CA ILE A 59 1.306 -4.818 6.116 1.00 0.00 C ATOM 868 C ILE A 59 -0.034 -4.117 5.919 1.00 0.00 C ATOM 869 O ILE A 59 -0.086 -2.970 5.476 1.00 0.00 O ATOM 870 CB ILE A 59 1.315 -6.123 5.299 1.00 0.00 C ATOM 871 CG1 ILE A 59 2.628 -6.878 5.517 1.00 0.00 C ATOM 872 CG2 ILE A 59 1.108 -5.825 3.822 1.00 0.00 C ATOM 873 CD1 ILE A 59 2.630 -8.270 4.925 1.00 0.00 C ATOM 0 H ILE A 59 1.772 -6.045 7.752 1.00 0.00 H new ATOM 0 HA ILE A 59 2.108 -4.171 5.760 1.00 0.00 H new ATOM 0 HB ILE A 59 0.494 -6.754 5.641 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.445 -6.304 5.079 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.825 -6.947 6.587 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.117 -6.758 3.258 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.149 -5.326 3.682 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.909 -5.178 3.466 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.592 -8.746 5.117 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.835 -8.860 5.381 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.465 -8.208 3.849 1.00 0.00 H new ATOM 885 N LEU A 60 -1.115 -4.813 6.252 1.00 0.00 N ATOM 886 CA LEU A 60 -2.456 -4.257 6.113 1.00 0.00 C ATOM 887 C LEU A 60 -2.558 -2.903 6.807 1.00 0.00 C ATOM 888 O LEU A 60 -2.860 -1.891 6.176 1.00 0.00 O ATOM 889 CB LEU A 60 -3.493 -5.221 6.695 1.00 0.00 C ATOM 890 CG LEU A 60 -3.787 -6.450 5.835 1.00 0.00 C ATOM 891 CD1 LEU A 60 -4.599 -7.469 6.620 1.00 0.00 C ATOM 892 CD2 LEU A 60 -4.518 -6.048 4.564 1.00 0.00 C ATOM 0 H LEU A 60 -1.089 -5.764 6.620 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.656 -4.117 5.051 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.148 -5.555 7.673 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.424 -4.677 6.854 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.839 -6.909 5.555 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.799 -8.337 5.992 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.038 -7.780 7.501 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.543 -7.021 6.930 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.719 -6.935 3.964 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.460 -5.564 4.823 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.900 -5.356 3.992 1.00 0.00 H new ATOM 904 N GLY A 61 -2.303 -2.892 8.112 1.00 0.00 N ATOM 905 CA GLY A 61 -2.372 -1.657 8.871 1.00 0.00 C ATOM 906 C GLY A 61 -1.506 -0.563 8.278 1.00 0.00 C ATOM 907 O GLY A 61 -1.811 0.622 8.415 1.00 0.00 O ATOM 0 H GLY A 61 -2.050 -3.716 8.657 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.406 -1.316 8.911 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.059 -1.847 9.898 1.00 0.00 H new ATOM 911 N SER A 62 -0.422 -0.960 7.619 1.00 0.00 N ATOM 912 CA SER A 62 0.494 -0.004 7.008 1.00 0.00 C ATOM 913 C SER A 62 -0.048 0.488 5.669 1.00 0.00 C ATOM 914 O SER A 62 0.257 1.599 5.235 1.00 0.00 O ATOM 915 CB SER A 62 1.871 -0.641 6.810 1.00 0.00 C ATOM 916 OG SER A 62 2.540 -0.804 8.049 1.00 0.00 O ATOM 0 H SER A 62 -0.157 -1.937 7.495 1.00 0.00 H new ATOM 0 HA SER A 62 0.589 0.850 7.678 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.760 -1.610 6.323 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.472 -0.018 6.148 1.00 0.00 H new ATOM 0 HG SER A 62 2.458 -1.735 8.345 1.00 0.00 H new ATOM 922 N ILE A 63 -0.853 -0.347 5.021 1.00 0.00 N ATOM 923 CA ILE A 63 -1.439 0.002 3.733 1.00 0.00 C ATOM 924 C ILE A 63 -2.666 0.890 3.910 1.00 0.00 C ATOM 925 O ILE A 63 -2.789 1.931 3.265 1.00 0.00 O ATOM 926 CB ILE A 63 -1.838 -1.254 2.937 1.00 0.00 C ATOM 927 CG1 ILE A 63 -0.594 -2.056 2.551 1.00 0.00 C ATOM 928 CG2 ILE A 63 -2.630 -0.865 1.697 1.00 0.00 C ATOM 929 CD1 ILE A 63 -0.906 -3.449 2.048 1.00 0.00 C ATOM 0 H ILE A 63 -1.114 -1.270 5.367 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.676 0.547 3.177 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.470 -1.880 3.567 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.047 -1.514 1.780 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.064 -2.130 3.417 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.905 -1.763 1.144 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.533 -0.331 1.994 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.020 -0.221 1.063 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.022 -3.960 1.793 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.426 -4.008 2.825 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.539 -3.383 1.163 1.00 0.00 H new ATOM 941 N GLN A 64 -3.571 0.471 4.789 1.00 0.00 N ATOM 942 CA GLN A 64 -4.788 1.230 5.052 1.00 0.00 C ATOM 943 C GLN A 64 -4.468 2.695 5.329 1.00 0.00 C ATOM 944 O GLN A 64 -5.205 3.592 4.917 1.00 0.00 O ATOM 945 CB GLN A 64 -5.543 0.627 6.238 1.00 0.00 C ATOM 946 CG GLN A 64 -5.149 1.227 7.578 1.00 0.00 C ATOM 947 CD GLN A 64 -5.913 2.497 7.896 1.00 0.00 C ATOM 948 OE1 GLN A 64 -6.734 2.957 7.102 1.00 0.00 O ATOM 949 NE2 GLN A 64 -5.646 3.073 9.063 1.00 0.00 N ATOM 0 H GLN A 64 -3.485 -0.389 5.331 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.418 1.177 4.164 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.613 0.768 6.087 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.364 -0.448 6.264 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -5.325 0.495 8.366 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.080 1.441 7.576 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.958 2.658 9.691 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -6.129 3.930 9.331 1.00 0.00 H new ATOM 958 N THR A 65 -3.364 2.932 6.030 1.00 0.00 N ATOM 959 CA THR A 65 -2.947 4.288 6.363 1.00 0.00 C ATOM 960 C THR A 65 -2.157 4.917 5.221 1.00 0.00 C ATOM 961 O THR A 65 -2.197 6.131 5.021 1.00 0.00 O ATOM 962 CB THR A 65 -2.087 4.313 7.641 1.00 0.00 C ATOM 963 OG1 THR A 65 -1.715 5.660 7.955 1.00 0.00 O ATOM 964 CG2 THR A 65 -0.837 3.463 7.469 1.00 0.00 C ATOM 0 H THR A 65 -2.742 2.202 6.378 1.00 0.00 H new ATOM 0 HA THR A 65 -3.856 4.865 6.533 1.00 0.00 H new ATOM 0 HB THR A 65 -2.678 3.900 8.458 1.00 0.00 H new ATOM 0 HG1 THR A 65 -1.170 5.667 8.769 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.246 3.496 8.384 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.124 2.433 7.259 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.245 3.851 6.640 1.00 0.00 H new ATOM 972 N MET A 66 -1.441 4.084 4.474 1.00 0.00 N ATOM 973 CA MET A 66 -0.643 4.559 3.349 1.00 0.00 C ATOM 974 C MET A 66 -1.538 5.103 2.240 1.00 0.00 C ATOM 975 O MET A 66 -1.143 6.000 1.495 1.00 0.00 O ATOM 976 CB MET A 66 0.234 3.431 2.805 1.00 0.00 C ATOM 977 CG MET A 66 1.611 3.368 3.447 1.00 0.00 C ATOM 978 SD MET A 66 2.336 1.719 3.377 1.00 0.00 S ATOM 979 CE MET A 66 2.008 1.277 1.672 1.00 0.00 C ATOM 0 H MET A 66 -1.397 3.076 4.627 1.00 0.00 H new ATOM 0 HA MET A 66 -0.003 5.366 3.705 1.00 0.00 H new ATOM 0 HB2 MET A 66 -0.274 2.479 2.961 1.00 0.00 H new ATOM 0 HB3 MET A 66 0.349 3.558 1.729 1.00 0.00 H new ATOM 0 HG2 MET A 66 2.274 4.073 2.946 1.00 0.00 H new ATOM 0 HG3 MET A 66 1.537 3.684 4.488 1.00 0.00 H new ATOM 0 HE1 MET A 66 2.806 0.633 1.303 1.00 0.00 H new ATOM 0 HE2 MET A 66 1.057 0.748 1.610 1.00 0.00 H new ATOM 0 HE3 MET A 66 1.961 2.181 1.064 1.00 0.00 H new ATOM 989 N ARG A 67 -2.744 4.555 2.137 1.00 0.00 N ATOM 990 CA ARG A 67 -3.694 4.985 1.117 1.00 0.00 C ATOM 991 C ARG A 67 -4.644 6.043 1.670 1.00 0.00 C ATOM 992 O ARG A 67 -5.056 6.956 0.955 1.00 0.00 O ATOM 993 CB ARG A 67 -4.493 3.788 0.597 1.00 0.00 C ATOM 994 CG ARG A 67 -5.185 2.995 1.694 1.00 0.00 C ATOM 995 CD ARG A 67 -6.525 2.449 1.226 1.00 0.00 C ATOM 996 NE ARG A 67 -7.430 2.189 2.342 1.00 0.00 N ATOM 997 CZ ARG A 67 -7.481 1.032 2.992 1.00 0.00 C ATOM 998 NH1 ARG A 67 -6.683 0.034 2.640 1.00 0.00 N ATOM 999 NH2 ARG A 67 -8.332 0.872 3.998 1.00 0.00 N ATOM 0 H ARG A 67 -3.087 3.813 2.747 1.00 0.00 H new ATOM 0 HA ARG A 67 -3.131 5.423 0.293 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -5.242 4.142 -0.111 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.823 3.125 0.049 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.545 2.171 2.008 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.335 3.632 2.566 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.988 3.161 0.542 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.365 1.527 0.666 1.00 0.00 H new ATOM 0 HE ARG A 67 -8.057 2.937 2.639 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.027 0.153 1.868 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -6.725 -0.853 3.141 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.947 1.638 4.272 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -8.371 -0.017 4.497 1.00 0.00 H new ATOM 1013 N ALA A 68 -4.987 5.913 2.947 1.00 0.00 N ATOM 1014 CA ALA A 68 -5.887 6.858 3.597 1.00 0.00 C ATOM 1015 C ALA A 68 -5.304 8.267 3.586 1.00 0.00 C ATOM 1016 O ALA A 68 -6.033 9.248 3.445 1.00 0.00 O ATOM 1017 CB ALA A 68 -6.177 6.415 5.023 1.00 0.00 C ATOM 0 H ALA A 68 -4.655 5.162 3.552 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.822 6.876 3.037 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.850 7.130 5.496 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.644 5.430 5.010 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.245 6.367 5.586 1.00 0.00 H new ATOM 1023 N GLN A 69 -3.987 8.358 3.737 1.00 0.00 N ATOM 1024 CA GLN A 69 -3.307 9.648 3.747 1.00 0.00 C ATOM 1025 C GLN A 69 -3.543 10.397 2.439 1.00 0.00 C ATOM 1026 O GLN A 69 -3.729 11.613 2.434 1.00 0.00 O ATOM 1027 CB GLN A 69 -1.807 9.456 3.975 1.00 0.00 C ATOM 1028 CG GLN A 69 -1.116 8.681 2.864 1.00 0.00 C ATOM 1029 CD GLN A 69 0.395 8.774 2.940 1.00 0.00 C ATOM 1030 OE1 GLN A 69 1.082 7.766 3.113 1.00 0.00 O ATOM 1031 NE2 GLN A 69 0.921 9.986 2.811 1.00 0.00 N ATOM 0 H GLN A 69 -3.370 7.555 3.854 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.718 10.241 4.564 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.335 10.434 4.072 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.656 8.933 4.919 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.415 7.634 2.916 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.451 9.060 1.899 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.314 10.793 2.669 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.933 10.110 2.854 1.00 0.00 H new ATOM 1040 N LEU A 70 -3.532 9.662 1.332 1.00 0.00 N ATOM 1041 CA LEU A 70 -3.744 10.257 0.017 1.00 0.00 C ATOM 1042 C LEU A 70 -5.091 10.970 -0.046 1.00 0.00 C ATOM 1043 O LEU A 70 -5.160 12.169 -0.320 1.00 0.00 O ATOM 1044 CB LEU A 70 -3.672 9.181 -1.069 1.00 0.00 C ATOM 1045 CG LEU A 70 -2.283 8.585 -1.297 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -2.391 7.145 -1.774 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -1.501 9.422 -2.299 1.00 0.00 C ATOM 0 H LEU A 70 -3.379 8.654 1.319 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.956 10.991 -0.155 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.358 8.375 -0.807 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.026 9.609 -2.007 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.746 8.593 -0.348 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.392 6.738 -1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.911 6.551 -1.023 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.947 7.113 -2.711 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.515 8.983 -2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.036 9.446 -3.249 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.392 10.437 -1.918 1.00 0.00 H new ATOM 1059 N THR A 71 -6.162 10.225 0.209 1.00 0.00 N ATOM 1060 CA THR A 71 -7.507 10.785 0.180 1.00 0.00 C ATOM 1061 C THR A 71 -7.598 12.043 1.035 1.00 0.00 C ATOM 1062 O THR A 71 -8.143 13.059 0.606 1.00 0.00 O ATOM 1063 CB THR A 71 -8.550 9.765 0.674 1.00 0.00 C ATOM 1064 OG1 THR A 71 -8.250 9.368 2.016 1.00 0.00 O ATOM 1065 CG2 THR A 71 -8.579 8.540 -0.228 1.00 0.00 C ATOM 0 H THR A 71 -6.124 9.232 0.438 1.00 0.00 H new ATOM 0 HA THR A 71 -7.721 11.039 -0.858 1.00 0.00 H new ATOM 0 HB THR A 71 -9.531 10.240 0.647 1.00 0.00 H new ATOM 0 HG1 THR A 71 -7.278 9.344 2.140 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.323 7.834 0.141 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.837 8.842 -1.243 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.598 8.066 -0.229 1.00 0.00 H new ATOM 1073 N SER A 72 -7.060 11.968 2.248 1.00 0.00 N ATOM 1074 CA SER A 72 -7.083 13.101 3.166 1.00 0.00 C ATOM 1075 C SER A 72 -5.670 13.608 3.439 1.00 0.00 C ATOM 1076 O SER A 72 -4.919 13.009 4.209 1.00 0.00 O ATOM 1077 CB SER A 72 -7.757 12.705 4.481 1.00 0.00 C ATOM 1078 OG SER A 72 -7.030 11.683 5.140 1.00 0.00 O ATOM 0 H SER A 72 -6.603 11.135 2.618 1.00 0.00 H new ATOM 0 HA SER A 72 -7.655 13.903 2.699 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.834 13.577 5.130 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.773 12.363 4.284 1.00 0.00 H new ATOM 0 HG SER A 72 -6.070 11.823 5.002 1.00 0.00 H new ATOM 1084 N THR A 73 -5.314 14.719 2.800 1.00 0.00 N ATOM 1085 CA THR A 73 -3.992 15.308 2.971 1.00 0.00 C ATOM 1086 C THR A 73 -4.059 16.830 2.932 1.00 0.00 C ATOM 1087 O THR A 73 -4.934 17.405 2.286 1.00 0.00 O ATOM 1088 CB THR A 73 -3.015 14.820 1.885 1.00 0.00 C ATOM 1089 OG1 THR A 73 -1.704 15.340 2.136 1.00 0.00 O ATOM 1090 CG2 THR A 73 -3.481 15.253 0.504 1.00 0.00 C ATOM 0 H THR A 73 -5.923 15.228 2.160 1.00 0.00 H new ATOM 0 HA THR A 73 -3.627 14.988 3.947 1.00 0.00 H new ATOM 0 HB THR A 73 -2.986 13.731 1.917 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.088 15.024 1.442 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.775 14.897 -0.246 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.466 14.832 0.304 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.536 16.341 0.463 1.00 0.00 H new ATOM 1098 N GLN A 74 -3.129 17.477 3.627 1.00 0.00 N ATOM 1099 CA GLN A 74 -3.084 18.934 3.671 1.00 0.00 C ATOM 1100 C GLN A 74 -2.560 19.502 2.355 1.00 0.00 C ATOM 1101 O GLN A 74 -2.024 18.773 1.522 1.00 0.00 O ATOM 1102 CB GLN A 74 -2.203 19.404 4.829 1.00 0.00 C ATOM 1103 CG GLN A 74 -2.908 19.385 6.176 1.00 0.00 C ATOM 1104 CD GLN A 74 -2.828 18.034 6.858 1.00 0.00 C ATOM 1105 OE1 GLN A 74 -3.840 17.355 7.036 1.00 0.00 O ATOM 1106 NE2 GLN A 74 -1.622 17.635 7.244 1.00 0.00 N ATOM 0 H GLN A 74 -2.397 17.016 4.167 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.099 19.299 3.825 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.318 18.770 4.882 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.857 20.417 4.624 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.465 20.141 6.824 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -3.955 19.656 6.038 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.810 18.230 7.077 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -1.507 16.734 7.708 1.00 0.00 H new ATOM 1115 N GLY A 75 -2.720 20.810 2.176 1.00 0.00 N ATOM 1116 CA GLY A 75 -2.258 21.453 0.960 1.00 0.00 C ATOM 1117 C GLY A 75 -0.947 20.878 0.461 1.00 0.00 C ATOM 1118 O GLY A 75 0.065 20.927 1.159 1.00 0.00 O ATOM 0 H GLY A 75 -3.161 21.435 2.851 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.017 21.345 0.185 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.137 22.521 1.141 1.00 0.00 H new ATOM 1122 N SER A 76 -0.966 20.330 -0.750 1.00 0.00 N ATOM 1123 CA SER A 76 0.229 19.738 -1.340 1.00 0.00 C ATOM 1124 C SER A 76 0.988 20.764 -2.176 1.00 0.00 C ATOM 1125 O SER A 76 0.505 21.872 -2.408 1.00 0.00 O ATOM 1126 CB SER A 76 -0.147 18.535 -2.206 1.00 0.00 C ATOM 1127 OG SER A 76 0.923 17.609 -2.285 1.00 0.00 O ATOM 0 H SER A 76 -1.796 20.284 -1.342 1.00 0.00 H new ATOM 0 HA SER A 76 0.877 19.405 -0.530 1.00 0.00 H new ATOM 0 HB2 SER A 76 -1.027 18.044 -1.790 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.414 18.873 -3.207 1.00 0.00 H new ATOM 0 HG SER A 76 0.657 16.848 -2.843 1.00 0.00 H new ATOM 1133 N GLY A 77 2.181 20.386 -2.626 1.00 0.00 N ATOM 1134 CA GLY A 77 2.988 21.284 -3.431 1.00 0.00 C ATOM 1135 C GLY A 77 3.946 20.542 -4.342 1.00 0.00 C ATOM 1136 O GLY A 77 3.826 20.576 -5.566 1.00 0.00 O ATOM 0 H GLY A 77 2.602 19.474 -2.447 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.334 21.915 -4.033 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.554 21.946 -2.775 1.00 0.00 H new ATOM 1140 N PRO A 78 4.927 19.853 -3.740 1.00 0.00 N ATOM 1141 CA PRO A 78 5.931 19.087 -4.485 1.00 0.00 C ATOM 1142 C PRO A 78 5.299 18.125 -5.485 1.00 0.00 C ATOM 1143 O PRO A 78 4.153 17.707 -5.322 1.00 0.00 O ATOM 1144 CB PRO A 78 6.670 18.311 -3.392 1.00 0.00 C ATOM 1145 CG PRO A 78 6.487 19.127 -2.160 1.00 0.00 C ATOM 1146 CD PRO A 78 5.132 19.767 -2.283 1.00 0.00 C ATOM 0 HA PRO A 78 6.578 19.733 -5.079 1.00 0.00 H new ATOM 0 HB2 PRO A 78 6.257 17.310 -3.269 1.00 0.00 H new ATOM 0 HB3 PRO A 78 7.726 18.192 -3.635 1.00 0.00 H new ATOM 0 HG2 PRO A 78 6.544 18.504 -1.267 1.00 0.00 H new ATOM 0 HG3 PRO A 78 7.268 19.882 -2.073 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.359 19.167 -1.803 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.108 20.751 -1.815 1.00 0.00 H new ATOM 1154 N SER A 79 6.055 17.777 -6.522 1.00 0.00 N ATOM 1155 CA SER A 79 5.569 16.866 -7.551 1.00 0.00 C ATOM 1156 C SER A 79 6.729 16.151 -8.237 1.00 0.00 C ATOM 1157 O SER A 79 7.894 16.378 -7.908 1.00 0.00 O ATOM 1158 CB SER A 79 4.742 17.629 -8.588 1.00 0.00 C ATOM 1159 OG SER A 79 5.544 18.555 -9.299 1.00 0.00 O ATOM 0 H SER A 79 7.007 18.113 -6.671 1.00 0.00 H new ATOM 0 HA SER A 79 4.938 16.119 -7.070 1.00 0.00 H new ATOM 0 HB2 SER A 79 4.289 16.925 -9.286 1.00 0.00 H new ATOM 0 HB3 SER A 79 3.927 18.155 -8.092 1.00 0.00 H new ATOM 0 HG SER A 79 4.992 19.028 -9.956 1.00 0.00 H new ATOM 1165 N SER A 80 6.403 15.286 -9.191 1.00 0.00 N ATOM 1166 CA SER A 80 7.416 14.534 -9.921 1.00 0.00 C ATOM 1167 C SER A 80 7.855 15.288 -11.173 1.00 0.00 C ATOM 1168 O SER A 80 7.043 15.920 -11.848 1.00 0.00 O ATOM 1169 CB SER A 80 6.880 13.153 -10.305 1.00 0.00 C ATOM 1170 OG SER A 80 5.655 13.260 -11.008 1.00 0.00 O ATOM 0 H SER A 80 5.444 15.088 -9.477 1.00 0.00 H new ATOM 0 HA SER A 80 8.281 14.411 -9.269 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.613 12.633 -10.922 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.736 12.552 -9.407 1.00 0.00 H new ATOM 0 HG SER A 80 5.334 12.365 -11.244 1.00 0.00 H new ATOM 1176 N GLY A 81 9.147 15.215 -11.478 1.00 0.00 N ATOM 1177 CA GLY A 81 9.673 15.894 -12.648 1.00 0.00 C ATOM 1178 C GLY A 81 9.450 17.393 -12.597 1.00 0.00 C ATOM 1179 O GLY A 81 10.332 18.171 -12.960 1.00 0.00 O ATOM 0 H GLY A 81 9.839 14.698 -10.936 1.00 0.00 H new ATOM 0 HA2 GLY A 81 10.741 15.691 -12.733 1.00 0.00 H new ATOM 0 HA3 GLY A 81 9.200 15.489 -13.543 1.00 0.00 H new TER 1183 GLY A 81