USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 539 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 14 CYS SG : rot 88:sc= 0.0223! USER MOD Set 1.2: A 63 TYR OH : rot -46:sc= 0.761 USER MOD Set 2.1: A 34 GLN : amide:sc= -3.91! C(o=-3.9!,f=-2.6!) USER MOD Set 2.2: A 37 LYS NZ :NH3+ 175:sc= -0.0334 (180deg=-0.0538) USER MOD Set 2.3: A 39 LYS NZ :NH3+ 139:sc= 0.00277 (180deg=-0.0473) USER MOD Single : A 1 ALA N :NH3+ -141:sc= 0.118 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.697 K(o=-0.7,f=-3.7!) USER MOD Single : A 5 SER OG : rot 180:sc= -0.652 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -150:sc= -2.8! (180deg=-5.72!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= 0.19 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 HIS : no HD1:sc= -6.34! C(o=-6.3!,f=-4!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0.0068) USER MOD Single : A 50 GLN : amide:sc= -0.0186 X(o=-0.019,f=-0.2) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.194 USER MOD Single : A 55 CYS SG : rot -20:sc= -4.37! USER MOD Single : A 56 GLN : amide:sc= -2.05 K(o=-2.1,f=-4.2!) USER MOD Single : A 59 ASN : amide:sc= -1.79 K(o=-1.8,f=-4!) USER MOD Single : A 64 GLN : amide:sc= 0.144 X(o=0.14,f=-0.0087) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -6.795 -5.734 -7.714 1.00 0.00 N ATOM 2 CA ALA A 1 -6.424 -5.860 -6.314 1.00 0.00 C ATOM 3 C ALA A 1 -7.303 -4.932 -5.473 1.00 0.00 C ATOM 4 O ALA A 1 -8.360 -4.495 -5.924 1.00 0.00 O ATOM 5 CB ALA A 1 -4.933 -5.557 -6.152 1.00 0.00 C ATOM 0 H1 ALA A 1 -6.765 -6.670 -8.167 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.757 -5.346 -7.785 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.128 -5.096 -8.194 1.00 0.00 H new ATOM 0 HA ALA A 1 -6.589 -6.878 -5.963 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -4.654 -5.651 -5.102 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -4.352 -6.262 -6.746 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -4.729 -4.542 -6.492 1.00 0.00 H new ATOM 11 N GLN A 2 -6.833 -4.659 -4.265 1.00 0.00 N ATOM 12 CA GLN A 2 -7.562 -3.791 -3.357 1.00 0.00 C ATOM 13 C GLN A 2 -6.864 -2.434 -3.243 1.00 0.00 C ATOM 14 O GLN A 2 -5.636 -2.362 -3.241 1.00 0.00 O ATOM 15 CB GLN A 2 -7.720 -4.443 -1.982 1.00 0.00 C ATOM 16 CG GLN A 2 -9.103 -5.079 -1.832 1.00 0.00 C ATOM 17 CD GLN A 2 -9.936 -4.338 -0.784 1.00 0.00 C ATOM 18 OE1 GLN A 2 -9.510 -4.108 0.336 1.00 0.00 O ATOM 19 NE2 GLN A 2 -11.144 -3.977 -1.209 1.00 0.00 N ATOM 0 H GLN A 2 -5.956 -5.024 -3.894 1.00 0.00 H new ATOM 0 HA GLN A 2 -8.561 -3.631 -3.764 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -6.950 -5.202 -1.845 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -7.573 -3.696 -1.202 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.621 -5.063 -2.791 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -8.997 -6.125 -1.544 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -11.438 -4.201 -2.160 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.776 -3.476 -0.584 1.00 0.00 H new ATOM 28 N GLU A 3 -7.677 -1.392 -3.150 1.00 0.00 N ATOM 29 CA GLU A 3 -7.152 -0.042 -3.036 1.00 0.00 C ATOM 30 C GLU A 3 -7.322 0.475 -1.606 1.00 0.00 C ATOM 31 O GLU A 3 -8.170 -0.016 -0.861 1.00 0.00 O ATOM 32 CB GLU A 3 -7.826 0.895 -4.040 1.00 0.00 C ATOM 33 CG GLU A 3 -9.251 1.238 -3.600 1.00 0.00 C ATOM 34 CD GLU A 3 -10.065 1.802 -4.766 1.00 0.00 C ATOM 35 OE1 GLU A 3 -10.184 1.078 -5.778 1.00 0.00 O ATOM 36 OE2 GLU A 3 -10.548 2.946 -4.620 1.00 0.00 O ATOM 0 H GLU A 3 -8.695 -1.455 -3.151 1.00 0.00 H new ATOM 0 HA GLU A 3 -6.087 -0.067 -3.269 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -7.242 1.810 -4.138 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.849 0.425 -5.023 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -9.739 0.345 -3.209 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -9.220 1.965 -2.789 1.00 0.00 H new ATOM 43 N PHE A 4 -6.502 1.458 -1.264 1.00 0.00 N ATOM 44 CA PHE A 4 -6.550 2.046 0.064 1.00 0.00 C ATOM 45 C PHE A 4 -6.460 3.571 -0.009 1.00 0.00 C ATOM 46 O PHE A 4 -5.593 4.114 -0.691 1.00 0.00 O ATOM 47 CB PHE A 4 -5.342 1.511 0.834 1.00 0.00 C ATOM 48 CG PHE A 4 -4.886 0.120 0.390 1.00 0.00 C ATOM 49 CD1 PHE A 4 -5.775 -0.909 0.360 1.00 0.00 C ATOM 50 CD2 PHE A 4 -3.593 -0.088 0.025 1.00 0.00 C ATOM 51 CE1 PHE A 4 -5.353 -2.201 -0.052 1.00 0.00 C ATOM 52 CE2 PHE A 4 -3.170 -1.380 -0.387 1.00 0.00 C ATOM 53 CZ PHE A 4 -4.059 -2.409 -0.417 1.00 0.00 C ATOM 0 H PHE A 4 -5.800 1.862 -1.884 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.490 1.787 0.552 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -4.512 2.208 0.718 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.586 1.480 1.896 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.802 -0.743 0.650 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -2.887 0.729 0.048 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -6.059 -3.018 -0.076 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.143 -1.545 -0.676 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.738 -3.391 -0.731 1.00 0.00 H new ATOM 63 N SER A 5 -7.368 4.220 0.705 1.00 0.00 N ATOM 64 CA SER A 5 -7.402 5.673 0.731 1.00 0.00 C ATOM 65 C SER A 5 -6.326 6.205 1.679 1.00 0.00 C ATOM 66 O SER A 5 -5.677 5.433 2.383 1.00 0.00 O ATOM 67 CB SER A 5 -8.781 6.184 1.152 1.00 0.00 C ATOM 68 OG SER A 5 -8.714 7.487 1.726 1.00 0.00 O ATOM 0 H SER A 5 -8.086 3.767 1.270 1.00 0.00 H new ATOM 0 HA SER A 5 -7.201 6.038 -0.276 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.441 6.203 0.285 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.220 5.493 1.871 1.00 0.00 H new ATOM 0 HG SER A 5 -9.614 7.779 1.980 1.00 0.00 H new ATOM 74 N VAL A 6 -6.169 7.520 1.667 1.00 0.00 N ATOM 75 CA VAL A 6 -5.182 8.165 2.517 1.00 0.00 C ATOM 76 C VAL A 6 -5.705 9.536 2.949 1.00 0.00 C ATOM 77 O VAL A 6 -6.338 10.239 2.163 1.00 0.00 O ATOM 78 CB VAL A 6 -3.836 8.239 1.793 1.00 0.00 C ATOM 79 CG1 VAL A 6 -2.797 8.973 2.643 1.00 0.00 C ATOM 80 CG2 VAL A 6 -3.343 6.843 1.407 1.00 0.00 C ATOM 0 H VAL A 6 -6.709 8.157 1.082 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.017 7.580 3.422 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.980 8.808 0.875 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.849 9.012 2.106 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.142 9.987 2.844 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.658 8.443 3.586 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.385 6.924 0.894 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.223 6.238 2.306 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -4.069 6.371 0.746 1.00 0.00 H new ATOM 90 N LYS A 7 -5.422 9.875 4.198 1.00 0.00 N ATOM 91 CA LYS A 7 -5.856 11.149 4.745 1.00 0.00 C ATOM 92 C LYS A 7 -4.928 11.550 5.893 1.00 0.00 C ATOM 93 O LYS A 7 -5.392 11.922 6.970 1.00 0.00 O ATOM 94 CB LYS A 7 -7.333 11.088 5.140 1.00 0.00 C ATOM 95 CG LYS A 7 -8.235 11.374 3.938 1.00 0.00 C ATOM 96 CD LYS A 7 -9.450 12.207 4.351 1.00 0.00 C ATOM 97 CE LYS A 7 -9.257 13.679 3.981 1.00 0.00 C ATOM 98 NZ LYS A 7 -10.542 14.409 4.072 1.00 0.00 N ATOM 0 H LYS A 7 -4.897 9.289 4.847 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.784 11.931 3.989 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.564 10.103 5.546 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.532 11.813 5.929 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.669 11.904 3.172 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.567 10.435 3.496 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.344 11.820 3.862 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.609 12.116 5.425 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.525 14.135 4.648 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.859 13.757 2.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.393 15.406 3.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -11.230 13.984 3.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.907 14.350 5.044 1.00 0.00 H new ATOM 112 N GLY A 8 -3.634 11.459 5.625 1.00 0.00 N ATOM 113 CA GLY A 8 -2.636 11.807 6.623 1.00 0.00 C ATOM 114 C GLY A 8 -1.244 11.905 5.996 1.00 0.00 C ATOM 115 O GLY A 8 -0.238 11.703 6.674 1.00 0.00 O ATOM 0 H GLY A 8 -3.253 11.149 4.731 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.897 12.758 7.087 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.630 11.057 7.414 1.00 0.00 H new ATOM 119 N MET A 9 -1.231 12.214 4.707 1.00 0.00 N ATOM 120 CA MET A 9 0.021 12.341 3.981 1.00 0.00 C ATOM 121 C MET A 9 0.722 13.658 4.323 1.00 0.00 C ATOM 122 O MET A 9 0.067 14.676 4.540 1.00 0.00 O ATOM 123 CB MET A 9 -0.253 12.283 2.477 1.00 0.00 C ATOM 124 CG MET A 9 0.557 11.167 1.815 1.00 0.00 C ATOM 125 SD MET A 9 1.211 11.731 0.253 1.00 0.00 S ATOM 126 CE MET A 9 -0.141 11.291 -0.827 1.00 0.00 C ATOM 0 H MET A 9 -2.067 12.380 4.147 1.00 0.00 H new ATOM 0 HA MET A 9 0.674 11.518 4.272 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.316 12.117 2.304 1.00 0.00 H new ATOM 0 HB3 MET A 9 -0.001 13.240 2.021 1.00 0.00 H new ATOM 0 HG2 MET A 9 1.372 10.860 2.470 1.00 0.00 H new ATOM 0 HG3 MET A 9 -0.074 10.292 1.660 1.00 0.00 H new ATOM 0 HE1 MET A 9 0.246 11.064 -1.820 1.00 0.00 H new ATOM 0 HE2 MET A 9 -0.655 10.416 -0.429 1.00 0.00 H new ATOM 0 HE3 MET A 9 -0.841 12.124 -0.892 1.00 0.00 H new ATOM 136 N SER A 10 2.045 13.595 4.359 1.00 0.00 N ATOM 137 CA SER A 10 2.842 14.769 4.670 1.00 0.00 C ATOM 138 C SER A 10 3.717 15.141 3.471 1.00 0.00 C ATOM 139 O SER A 10 3.995 16.317 3.242 1.00 0.00 O ATOM 140 CB SER A 10 3.710 14.534 5.908 1.00 0.00 C ATOM 141 OG SER A 10 2.943 14.551 7.109 1.00 0.00 O ATOM 0 H SER A 10 2.585 12.749 4.178 1.00 0.00 H new ATOM 0 HA SER A 10 2.164 15.594 4.887 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.219 13.575 5.817 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.482 15.301 5.960 1.00 0.00 H new ATOM 0 HG SER A 10 3.533 14.396 7.876 1.00 0.00 H new ATOM 147 N CYS A 11 4.126 14.116 2.738 1.00 0.00 N ATOM 148 CA CYS A 11 4.964 14.320 1.569 1.00 0.00 C ATOM 149 C CYS A 11 6.428 14.216 2.002 1.00 0.00 C ATOM 150 O CYS A 11 6.755 13.468 2.922 1.00 0.00 O ATOM 151 CB CYS A 11 4.665 15.655 0.884 1.00 0.00 C ATOM 152 SG CYS A 11 4.916 15.502 -0.922 1.00 0.00 S ATOM 0 H CYS A 11 3.893 13.142 2.931 1.00 0.00 H new ATOM 0 HA CYS A 11 4.750 13.550 0.827 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.639 15.958 1.092 1.00 0.00 H new ATOM 0 HB3 CYS A 11 5.315 16.433 1.285 1.00 0.00 H new ATOM 0 HG CYS A 11 4.657 16.640 -1.494 1.00 0.00 H new ATOM 158 N ASN A 12 7.269 14.978 1.319 1.00 0.00 N ATOM 159 CA ASN A 12 8.690 14.982 1.622 1.00 0.00 C ATOM 160 C ASN A 12 9.283 13.613 1.283 1.00 0.00 C ATOM 161 O ASN A 12 10.210 13.152 1.948 1.00 0.00 O ATOM 162 CB ASN A 12 8.936 15.249 3.109 1.00 0.00 C ATOM 163 CG ASN A 12 9.378 16.695 3.340 1.00 0.00 C ATOM 164 OD1 ASN A 12 10.555 17.016 3.359 1.00 0.00 O ATOM 165 ND2 ASN A 12 8.372 17.547 3.516 1.00 0.00 N ATOM 0 H ASN A 12 6.994 15.597 0.557 1.00 0.00 H new ATOM 0 HA ASN A 12 9.158 15.770 1.032 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.025 15.049 3.674 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.700 14.567 3.483 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.563 18.536 3.679 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.409 17.212 3.488 1.00 0.00 H new ATOM 172 N HIS A 13 8.724 13.001 0.250 1.00 0.00 N ATOM 173 CA HIS A 13 9.185 11.693 -0.185 1.00 0.00 C ATOM 174 C HIS A 13 8.399 10.603 0.545 1.00 0.00 C ATOM 175 O HIS A 13 8.813 9.445 0.569 1.00 0.00 O ATOM 176 CB HIS A 13 10.698 11.561 0.004 1.00 0.00 C ATOM 177 CG HIS A 13 11.097 10.761 1.221 1.00 0.00 C ATOM 178 ND1 HIS A 13 12.240 9.982 1.265 1.00 0.00 N ATOM 179 CD2 HIS A 13 10.495 10.629 2.438 1.00 0.00 C ATOM 180 CE1 HIS A 13 12.312 9.411 2.458 1.00 0.00 C ATOM 181 NE2 HIS A 13 11.229 9.812 3.183 1.00 0.00 N ATOM 0 H HIS A 13 7.956 13.387 -0.299 1.00 0.00 H new ATOM 0 HA HIS A 13 8.998 11.573 -1.252 1.00 0.00 H new ATOM 0 HB2 HIS A 13 11.125 11.092 -0.882 1.00 0.00 H new ATOM 0 HB3 HIS A 13 11.133 12.558 0.078 1.00 0.00 H new ATOM 0 HD2 HIS A 13 9.577 11.108 2.743 1.00 0.00 H new ATOM 0 HE1 HIS A 13 13.092 8.745 2.797 1.00 0.00 H new ATOM 0 HE2 HIS A 13 11.018 9.530 4.140 1.00 0.00 H new ATOM 189 N CYS A 14 7.278 11.011 1.121 1.00 0.00 N ATOM 190 CA CYS A 14 6.430 10.083 1.849 1.00 0.00 C ATOM 191 C CYS A 14 5.844 9.083 0.851 1.00 0.00 C ATOM 192 O CYS A 14 5.955 7.873 1.040 1.00 0.00 O ATOM 193 CB CYS A 14 5.338 10.812 2.635 1.00 0.00 C ATOM 194 SG CYS A 14 5.958 11.264 4.296 1.00 0.00 S ATOM 0 H CYS A 14 6.937 11.972 1.098 1.00 0.00 H new ATOM 0 HA CYS A 14 7.024 9.549 2.590 1.00 0.00 H new ATOM 0 HB2 CYS A 14 5.028 11.708 2.097 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.458 10.175 2.727 1.00 0.00 H new ATOM 0 HG CYS A 14 6.537 12.426 4.241 1.00 0.00 H new ATOM 200 N VAL A 15 5.232 9.626 -0.192 1.00 0.00 N ATOM 201 CA VAL A 15 4.628 8.797 -1.220 1.00 0.00 C ATOM 202 C VAL A 15 5.535 7.598 -1.501 1.00 0.00 C ATOM 203 O VAL A 15 5.076 6.456 -1.512 1.00 0.00 O ATOM 204 CB VAL A 15 4.343 9.636 -2.468 1.00 0.00 C ATOM 205 CG1 VAL A 15 4.294 8.757 -3.720 1.00 0.00 C ATOM 206 CG2 VAL A 15 3.048 10.434 -2.308 1.00 0.00 C ATOM 0 H VAL A 15 5.142 10.630 -0.346 1.00 0.00 H new ATOM 0 HA VAL A 15 3.669 8.406 -0.880 1.00 0.00 H new ATOM 0 HB VAL A 15 5.161 10.346 -2.589 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.090 9.378 -4.593 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.252 8.253 -3.849 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.505 8.013 -3.612 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.869 11.021 -3.209 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.215 9.749 -2.150 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.136 11.102 -1.451 1.00 0.00 H new ATOM 216 N ALA A 16 6.807 7.897 -1.720 1.00 0.00 N ATOM 217 CA ALA A 16 7.783 6.857 -2.000 1.00 0.00 C ATOM 218 C ALA A 16 7.968 5.989 -0.753 1.00 0.00 C ATOM 219 O ALA A 16 7.909 4.763 -0.832 1.00 0.00 O ATOM 220 CB ALA A 16 9.093 7.498 -2.464 1.00 0.00 C ATOM 0 H ALA A 16 7.185 8.844 -1.709 1.00 0.00 H new ATOM 0 HA ALA A 16 7.434 6.209 -2.804 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.825 6.718 -2.674 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.913 8.080 -3.368 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.475 8.153 -1.681 1.00 0.00 H new ATOM 226 N ARG A 17 8.189 6.660 0.368 1.00 0.00 N ATOM 227 CA ARG A 17 8.383 5.965 1.629 1.00 0.00 C ATOM 228 C ARG A 17 7.272 4.935 1.844 1.00 0.00 C ATOM 229 O ARG A 17 7.537 3.810 2.266 1.00 0.00 O ATOM 230 CB ARG A 17 8.393 6.946 2.803 1.00 0.00 C ATOM 231 CG ARG A 17 9.602 6.704 3.710 1.00 0.00 C ATOM 232 CD ARG A 17 9.593 5.279 4.266 1.00 0.00 C ATOM 233 NE ARG A 17 10.859 4.594 3.923 1.00 0.00 N ATOM 234 CZ ARG A 17 12.046 4.891 4.468 1.00 0.00 C ATOM 235 NH1 ARG A 17 12.137 5.863 5.387 1.00 0.00 N ATOM 236 NH2 ARG A 17 13.143 4.217 4.096 1.00 0.00 N ATOM 0 H ARG A 17 8.238 7.677 0.429 1.00 0.00 H new ATOM 0 HA ARG A 17 9.348 5.460 1.584 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.415 7.969 2.427 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.474 6.838 3.379 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.521 6.874 3.150 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.593 7.419 4.532 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.464 5.303 5.348 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.748 4.725 3.857 1.00 0.00 H new ATOM 0 HE ARG A 17 10.826 3.849 3.228 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.302 6.376 5.671 1.00 0.00 H new ATOM 0 HH12 ARG A 17 13.041 6.089 5.802 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.074 3.477 3.397 1.00 0.00 H new ATOM 0 HH22 ARG A 17 14.046 4.444 4.512 1.00 0.00 H new ATOM 250 N ILE A 18 6.052 5.356 1.545 1.00 0.00 N ATOM 251 CA ILE A 18 4.901 4.484 1.700 1.00 0.00 C ATOM 252 C ILE A 18 4.957 3.379 0.643 1.00 0.00 C ATOM 253 O ILE A 18 5.013 2.197 0.978 1.00 0.00 O ATOM 254 CB ILE A 18 3.605 5.297 1.672 1.00 0.00 C ATOM 255 CG1 ILE A 18 3.673 6.471 2.650 1.00 0.00 C ATOM 256 CG2 ILE A 18 2.391 4.403 1.933 1.00 0.00 C ATOM 257 CD1 ILE A 18 2.546 7.472 2.385 1.00 0.00 C ATOM 0 H ILE A 18 5.836 6.290 1.196 1.00 0.00 H new ATOM 0 HA ILE A 18 4.922 3.995 2.674 1.00 0.00 H new ATOM 0 HB ILE A 18 3.487 5.717 0.673 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.603 6.101 3.673 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.637 6.971 2.557 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.483 5.006 1.908 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.336 3.631 1.165 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.488 3.934 2.912 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.618 8.297 3.094 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.634 7.858 1.369 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.583 6.975 2.502 1.00 0.00 H new ATOM 269 N GLU A 19 4.939 3.803 -0.612 1.00 0.00 N ATOM 270 CA GLU A 19 4.987 2.865 -1.720 1.00 0.00 C ATOM 271 C GLU A 19 6.123 1.860 -1.515 1.00 0.00 C ATOM 272 O GLU A 19 5.935 0.659 -1.705 1.00 0.00 O ATOM 273 CB GLU A 19 5.138 3.599 -3.054 1.00 0.00 C ATOM 274 CG GLU A 19 5.782 2.695 -4.107 1.00 0.00 C ATOM 275 CD GLU A 19 7.302 2.862 -4.118 1.00 0.00 C ATOM 276 OE1 GLU A 19 7.790 3.669 -3.298 1.00 0.00 O ATOM 277 OE2 GLU A 19 7.943 2.178 -4.945 1.00 0.00 O ATOM 0 H GLU A 19 4.892 4.784 -0.886 1.00 0.00 H new ATOM 0 HA GLU A 19 4.045 2.318 -1.749 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.160 3.931 -3.403 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.747 4.492 -2.915 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.528 1.655 -3.902 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.379 2.934 -5.091 1.00 0.00 H new ATOM 284 N GLU A 20 7.276 2.388 -1.132 1.00 0.00 N ATOM 285 CA GLU A 20 8.441 1.552 -0.899 1.00 0.00 C ATOM 286 C GLU A 20 8.200 0.624 0.292 1.00 0.00 C ATOM 287 O GLU A 20 8.363 -0.590 0.181 1.00 0.00 O ATOM 288 CB GLU A 20 9.693 2.405 -0.685 1.00 0.00 C ATOM 289 CG GLU A 20 10.951 1.652 -1.124 1.00 0.00 C ATOM 290 CD GLU A 20 12.105 1.897 -0.148 1.00 0.00 C ATOM 291 OE1 GLU A 20 11.950 1.496 1.026 1.00 0.00 O ATOM 292 OE2 GLU A 20 13.115 2.478 -0.599 1.00 0.00 O ATOM 0 H GLU A 20 7.428 3.385 -0.977 1.00 0.00 H new ATOM 0 HA GLU A 20 8.606 0.938 -1.784 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.605 3.334 -1.249 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.776 2.677 0.367 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.739 0.584 -1.181 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.241 1.973 -2.124 1.00 0.00 H new ATOM 299 N ALA A 21 7.815 1.230 1.406 1.00 0.00 N ATOM 300 CA ALA A 21 7.550 0.473 2.617 1.00 0.00 C ATOM 301 C ALA A 21 6.464 -0.568 2.335 1.00 0.00 C ATOM 302 O ALA A 21 6.607 -1.734 2.699 1.00 0.00 O ATOM 303 CB ALA A 21 7.160 1.431 3.744 1.00 0.00 C ATOM 0 H ALA A 21 7.680 2.237 1.495 1.00 0.00 H new ATOM 0 HA ALA A 21 8.444 -0.061 2.939 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.961 0.862 4.652 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.976 2.131 3.925 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.265 1.983 3.459 1.00 0.00 H new ATOM 309 N VAL A 22 5.403 -0.108 1.689 1.00 0.00 N ATOM 310 CA VAL A 22 4.293 -0.984 1.354 1.00 0.00 C ATOM 311 C VAL A 22 4.816 -2.178 0.552 1.00 0.00 C ATOM 312 O VAL A 22 4.364 -3.306 0.746 1.00 0.00 O ATOM 313 CB VAL A 22 3.209 -0.197 0.615 1.00 0.00 C ATOM 314 CG1 VAL A 22 2.166 -1.137 0.007 1.00 0.00 C ATOM 315 CG2 VAL A 22 2.550 0.828 1.540 1.00 0.00 C ATOM 0 H VAL A 22 5.288 0.860 1.389 1.00 0.00 H new ATOM 0 HA VAL A 22 3.830 -1.377 2.259 1.00 0.00 H new ATOM 0 HB VAL A 22 3.686 0.345 -0.201 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.407 -0.552 -0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.651 -1.811 -0.699 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.696 -1.720 0.799 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.783 1.374 0.990 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.094 0.314 2.386 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.303 1.527 1.904 1.00 0.00 H new ATOM 325 N GLY A 23 5.760 -1.889 -0.331 1.00 0.00 N ATOM 326 CA GLY A 23 6.348 -2.925 -1.163 1.00 0.00 C ATOM 327 C GLY A 23 7.061 -3.975 -0.309 1.00 0.00 C ATOM 328 O GLY A 23 7.440 -5.034 -0.808 1.00 0.00 O ATOM 0 H GLY A 23 6.132 -0.953 -0.489 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.570 -3.403 -1.759 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.055 -2.478 -1.861 1.00 0.00 H new ATOM 332 N ARG A 24 7.224 -3.645 0.964 1.00 0.00 N ATOM 333 CA ARG A 24 7.884 -4.547 1.893 1.00 0.00 C ATOM 334 C ARG A 24 6.900 -5.603 2.398 1.00 0.00 C ATOM 335 O ARG A 24 7.293 -6.546 3.083 1.00 0.00 O ATOM 336 CB ARG A 24 8.459 -3.783 3.087 1.00 0.00 C ATOM 337 CG ARG A 24 9.779 -4.403 3.551 1.00 0.00 C ATOM 338 CD ARG A 24 9.787 -4.604 5.067 1.00 0.00 C ATOM 339 NE ARG A 24 9.779 -3.292 5.752 1.00 0.00 N ATOM 340 CZ ARG A 24 9.893 -3.136 7.078 1.00 0.00 C ATOM 341 NH1 ARG A 24 10.025 -4.208 7.870 1.00 0.00 N ATOM 342 NH2 ARG A 24 9.875 -1.907 7.612 1.00 0.00 N ATOM 0 H ARG A 24 6.910 -2.765 1.374 1.00 0.00 H new ATOM 0 HA ARG A 24 8.701 -5.033 1.359 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.619 -2.740 2.813 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.742 -3.790 3.908 1.00 0.00 H new ATOM 0 HG2 ARG A 24 9.930 -5.361 3.053 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.609 -3.759 3.262 1.00 0.00 H new ATOM 0 HD2 ARG A 24 8.917 -5.187 5.369 1.00 0.00 H new ATOM 0 HD3 ARG A 24 10.669 -5.172 5.362 1.00 0.00 H new ATOM 0 HE ARG A 24 9.681 -2.454 5.179 1.00 0.00 H new ATOM 0 HH11 ARG A 24 10.039 -5.144 7.464 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.112 -4.089 8.879 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.775 -1.090 7.009 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.962 -1.788 8.621 1.00 0.00 H new ATOM 356 N ILE A 25 5.639 -5.411 2.039 1.00 0.00 N ATOM 357 CA ILE A 25 4.596 -6.336 2.447 1.00 0.00 C ATOM 358 C ILE A 25 4.843 -7.697 1.795 1.00 0.00 C ATOM 359 O ILE A 25 4.763 -7.828 0.574 1.00 0.00 O ATOM 360 CB ILE A 25 3.214 -5.752 2.147 1.00 0.00 C ATOM 361 CG1 ILE A 25 3.024 -4.405 2.847 1.00 0.00 C ATOM 362 CG2 ILE A 25 2.108 -6.746 2.507 1.00 0.00 C ATOM 363 CD1 ILE A 25 2.064 -3.509 2.062 1.00 0.00 C ATOM 0 H ILE A 25 5.316 -4.628 1.470 1.00 0.00 H new ATOM 0 HA ILE A 25 4.624 -6.489 3.526 1.00 0.00 H new ATOM 0 HB ILE A 25 3.146 -5.570 1.074 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.636 -4.566 3.853 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.988 -3.907 2.952 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.136 -6.306 2.284 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.235 -7.659 1.925 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.164 -6.983 3.569 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.947 -2.558 2.582 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.466 -3.330 1.065 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.094 -3.999 1.980 1.00 0.00 H new ATOM 375 N SER A 26 5.138 -8.677 2.637 1.00 0.00 N ATOM 376 CA SER A 26 5.397 -10.024 2.157 1.00 0.00 C ATOM 377 C SER A 26 4.130 -10.609 1.530 1.00 0.00 C ATOM 378 O SER A 26 3.271 -11.136 2.234 1.00 0.00 O ATOM 379 CB SER A 26 5.894 -10.925 3.289 1.00 0.00 C ATOM 380 OG SER A 26 5.755 -12.307 2.970 1.00 0.00 O ATOM 0 H SER A 26 5.203 -8.565 3.649 1.00 0.00 H new ATOM 0 HA SER A 26 6.179 -9.973 1.399 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.941 -10.704 3.495 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.336 -10.705 4.199 1.00 0.00 H new ATOM 0 HG SER A 26 6.084 -12.850 3.717 1.00 0.00 H new ATOM 386 N GLY A 27 4.055 -10.496 0.212 1.00 0.00 N ATOM 387 CA GLY A 27 2.907 -11.008 -0.519 1.00 0.00 C ATOM 388 C GLY A 27 2.424 -9.995 -1.559 1.00 0.00 C ATOM 389 O GLY A 27 1.543 -10.298 -2.363 1.00 0.00 O ATOM 0 H GLY A 27 4.770 -10.058 -0.369 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.173 -11.943 -1.013 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.099 -11.234 0.177 1.00 0.00 H new ATOM 393 N VAL A 28 3.021 -8.813 -1.509 1.00 0.00 N ATOM 394 CA VAL A 28 2.662 -7.754 -2.437 1.00 0.00 C ATOM 395 C VAL A 28 3.427 -7.949 -3.747 1.00 0.00 C ATOM 396 O VAL A 28 4.621 -8.243 -3.735 1.00 0.00 O ATOM 397 CB VAL A 28 2.913 -6.388 -1.795 1.00 0.00 C ATOM 398 CG1 VAL A 28 4.286 -5.840 -2.191 1.00 0.00 C ATOM 399 CG2 VAL A 28 1.803 -5.400 -2.156 1.00 0.00 C ATOM 0 H VAL A 28 3.751 -8.565 -0.841 1.00 0.00 H new ATOM 0 HA VAL A 28 1.599 -7.797 -2.672 1.00 0.00 H new ATOM 0 HB VAL A 28 2.904 -6.520 -0.713 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.439 -4.868 -1.721 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.062 -6.530 -1.860 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.336 -5.731 -3.274 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.006 -4.437 -1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.765 -5.275 -3.238 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.846 -5.782 -1.801 1.00 0.00 H new ATOM 409 N LYS A 29 2.708 -7.776 -4.847 1.00 0.00 N ATOM 410 CA LYS A 29 3.305 -7.929 -6.163 1.00 0.00 C ATOM 411 C LYS A 29 3.645 -6.549 -6.727 1.00 0.00 C ATOM 412 O LYS A 29 4.737 -6.342 -7.255 1.00 0.00 O ATOM 413 CB LYS A 29 2.394 -8.758 -7.071 1.00 0.00 C ATOM 414 CG LYS A 29 2.836 -8.654 -8.532 1.00 0.00 C ATOM 415 CD LYS A 29 3.767 -9.808 -8.907 1.00 0.00 C ATOM 416 CE LYS A 29 5.234 -9.406 -8.740 1.00 0.00 C ATOM 417 NZ LYS A 29 6.123 -10.546 -9.056 1.00 0.00 N ATOM 0 H LYS A 29 1.718 -7.531 -4.854 1.00 0.00 H new ATOM 0 HA LYS A 29 4.240 -8.485 -6.095 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.411 -9.801 -6.755 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.365 -8.413 -6.973 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.961 -8.662 -9.182 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.345 -7.704 -8.695 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.550 -10.673 -8.281 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.584 -10.107 -9.939 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.464 -8.566 -9.395 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.411 -9.071 -7.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.115 -10.256 -8.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.915 -11.337 -8.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.965 -10.847 -10.039 1.00 0.00 H new ATOM 431 N LYS A 30 2.691 -5.639 -6.597 1.00 0.00 N ATOM 432 CA LYS A 30 2.876 -4.284 -7.087 1.00 0.00 C ATOM 433 C LYS A 30 2.336 -3.294 -6.053 1.00 0.00 C ATOM 434 O LYS A 30 1.483 -3.645 -5.239 1.00 0.00 O ATOM 435 CB LYS A 30 2.250 -4.127 -8.475 1.00 0.00 C ATOM 436 CG LYS A 30 2.685 -5.262 -9.404 1.00 0.00 C ATOM 437 CD LYS A 30 2.928 -4.745 -10.824 1.00 0.00 C ATOM 438 CE LYS A 30 2.363 -5.715 -11.864 1.00 0.00 C ATOM 439 NZ LYS A 30 1.634 -4.976 -12.919 1.00 0.00 N ATOM 0 H LYS A 30 1.787 -5.814 -6.159 1.00 0.00 H new ATOM 0 HA LYS A 30 3.936 -4.066 -7.214 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.163 -4.119 -8.389 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.543 -3.169 -8.904 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.595 -5.723 -9.020 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.919 -6.037 -9.421 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.463 -3.767 -10.943 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.997 -4.612 -10.989 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.173 -6.292 -12.310 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.693 -6.426 -11.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.257 -5.649 -13.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.849 -4.444 -12.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.283 -4.315 -13.391 1.00 0.00 H new ATOM 453 N VAL A 31 2.854 -2.077 -6.120 1.00 0.00 N ATOM 454 CA VAL A 31 2.435 -1.033 -5.200 1.00 0.00 C ATOM 455 C VAL A 31 2.534 0.325 -5.896 1.00 0.00 C ATOM 456 O VAL A 31 3.430 0.546 -6.709 1.00 0.00 O ATOM 457 CB VAL A 31 3.261 -1.107 -3.914 1.00 0.00 C ATOM 458 CG1 VAL A 31 4.750 -1.268 -4.226 1.00 0.00 C ATOM 459 CG2 VAL A 31 3.015 0.120 -3.033 1.00 0.00 C ATOM 0 H VAL A 31 3.561 -1.790 -6.797 1.00 0.00 H new ATOM 0 HA VAL A 31 1.394 -1.174 -4.911 1.00 0.00 H new ATOM 0 HB VAL A 31 2.938 -1.988 -3.360 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.314 -1.318 -3.294 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.906 -2.185 -4.794 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.093 -0.416 -4.812 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.614 0.042 -2.126 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.296 1.021 -3.578 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.959 0.171 -2.767 1.00 0.00 H new ATOM 469 N LYS A 32 1.601 1.200 -5.552 1.00 0.00 N ATOM 470 CA LYS A 32 1.572 2.531 -6.135 1.00 0.00 C ATOM 471 C LYS A 32 0.856 3.487 -5.177 1.00 0.00 C ATOM 472 O LYS A 32 0.247 3.052 -4.201 1.00 0.00 O ATOM 473 CB LYS A 32 0.958 2.490 -7.535 1.00 0.00 C ATOM 474 CG LYS A 32 1.431 3.677 -8.377 1.00 0.00 C ATOM 475 CD LYS A 32 0.287 4.662 -8.628 1.00 0.00 C ATOM 476 CE LYS A 32 0.158 4.984 -10.118 1.00 0.00 C ATOM 477 NZ LYS A 32 -0.819 6.075 -10.330 1.00 0.00 N ATOM 0 H LYS A 32 0.859 1.014 -4.877 1.00 0.00 H new ATOM 0 HA LYS A 32 2.585 2.911 -6.268 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.232 1.558 -8.029 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.129 2.504 -7.460 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.249 4.186 -7.867 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.823 3.319 -9.329 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.648 4.240 -8.261 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.463 5.580 -8.068 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.129 5.275 -10.519 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.158 4.094 -10.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.894 6.281 -11.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.749 5.784 -9.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.502 6.928 -9.827 1.00 0.00 H new ATOM 491 N VAL A 33 0.953 4.770 -5.491 1.00 0.00 N ATOM 492 CA VAL A 33 0.322 5.791 -4.671 1.00 0.00 C ATOM 493 C VAL A 33 -0.022 6.999 -5.543 1.00 0.00 C ATOM 494 O VAL A 33 0.607 7.223 -6.577 1.00 0.00 O ATOM 495 CB VAL A 33 1.227 6.145 -3.489 1.00 0.00 C ATOM 496 CG1 VAL A 33 0.907 7.542 -2.954 1.00 0.00 C ATOM 497 CG2 VAL A 33 1.117 5.095 -2.381 1.00 0.00 C ATOM 0 H VAL A 33 1.459 5.126 -6.302 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.612 5.419 -4.249 1.00 0.00 H new ATOM 0 HB VAL A 33 2.257 6.150 -3.845 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.564 7.769 -2.114 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.059 8.278 -3.744 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.131 7.576 -2.622 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.770 5.370 -1.553 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.087 5.044 -2.029 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.416 4.122 -2.771 1.00 0.00 H new ATOM 507 N GLN A 34 -1.020 7.747 -5.096 1.00 0.00 N ATOM 508 CA GLN A 34 -1.455 8.928 -5.823 1.00 0.00 C ATOM 509 C GLN A 34 -1.689 10.090 -4.856 1.00 0.00 C ATOM 510 O GLN A 34 -2.688 10.115 -4.139 1.00 0.00 O ATOM 511 CB GLN A 34 -2.713 8.634 -6.642 1.00 0.00 C ATOM 512 CG GLN A 34 -2.650 7.237 -7.263 1.00 0.00 C ATOM 513 CD GLN A 34 -3.587 7.129 -8.467 1.00 0.00 C ATOM 514 OE1 GLN A 34 -3.394 7.757 -9.495 1.00 0.00 O ATOM 515 NE2 GLN A 34 -4.611 6.300 -8.284 1.00 0.00 N ATOM 0 H GLN A 34 -1.540 7.558 -4.239 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.666 9.214 -6.519 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -3.593 8.713 -6.004 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -2.822 9.381 -7.429 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.628 7.019 -7.572 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.923 6.491 -6.517 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -4.714 5.805 -7.398 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.293 6.160 -9.029 1.00 0.00 H new ATOM 524 N LEU A 35 -0.751 11.025 -4.867 1.00 0.00 N ATOM 525 CA LEU A 35 -0.842 12.188 -4.001 1.00 0.00 C ATOM 526 C LEU A 35 -2.014 13.063 -4.450 1.00 0.00 C ATOM 527 O LEU A 35 -2.802 13.523 -3.625 1.00 0.00 O ATOM 528 CB LEU A 35 0.496 12.929 -3.954 1.00 0.00 C ATOM 529 CG LEU A 35 0.662 13.943 -2.821 1.00 0.00 C ATOM 530 CD1 LEU A 35 1.979 13.719 -2.074 1.00 0.00 C ATOM 531 CD2 LEU A 35 0.537 15.375 -3.344 1.00 0.00 C ATOM 0 H LEU A 35 0.077 11.001 -5.463 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.046 11.883 -2.975 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.295 12.191 -3.874 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.635 13.448 -4.902 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.145 13.790 -2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.073 14.453 -1.274 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.990 12.715 -1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.813 13.829 -2.767 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.659 16.076 -2.518 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.308 15.558 -4.092 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.446 15.513 -3.795 1.00 0.00 H new ATOM 543 N LYS A 36 -2.092 13.267 -5.757 1.00 0.00 N ATOM 544 CA LYS A 36 -3.154 14.078 -6.326 1.00 0.00 C ATOM 545 C LYS A 36 -4.400 13.213 -6.525 1.00 0.00 C ATOM 546 O LYS A 36 -5.101 13.350 -7.527 1.00 0.00 O ATOM 547 CB LYS A 36 -2.675 14.770 -7.604 1.00 0.00 C ATOM 548 CG LYS A 36 -2.318 13.744 -8.681 1.00 0.00 C ATOM 549 CD LYS A 36 -0.936 14.029 -9.274 1.00 0.00 C ATOM 550 CE LYS A 36 -0.514 12.919 -10.238 1.00 0.00 C ATOM 551 NZ LYS A 36 0.246 13.482 -11.376 1.00 0.00 N ATOM 0 H LYS A 36 -1.436 12.884 -6.438 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.428 14.880 -5.641 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.454 15.436 -7.975 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.805 15.388 -7.383 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.334 12.742 -8.253 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.068 13.765 -9.471 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.951 14.985 -9.798 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.203 14.117 -8.472 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.097 12.186 -9.712 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.396 12.394 -10.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.525 12.715 -12.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.349 14.165 -11.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.097 13.963 -11.021 1.00 0.00 H new ATOM 565 N LYS A 37 -4.638 12.342 -5.556 1.00 0.00 N ATOM 566 CA LYS A 37 -5.787 11.454 -5.612 1.00 0.00 C ATOM 567 C LYS A 37 -6.291 11.189 -4.193 1.00 0.00 C ATOM 568 O LYS A 37 -7.496 11.205 -3.945 1.00 0.00 O ATOM 569 CB LYS A 37 -5.444 10.182 -6.391 1.00 0.00 C ATOM 570 CG LYS A 37 -6.485 9.907 -7.477 1.00 0.00 C ATOM 571 CD LYS A 37 -6.474 8.433 -7.887 1.00 0.00 C ATOM 572 CE LYS A 37 -7.845 7.998 -8.407 1.00 0.00 C ATOM 573 NZ LYS A 37 -7.723 6.771 -9.225 1.00 0.00 N ATOM 0 H LYS A 37 -4.054 12.232 -4.727 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.605 11.924 -6.158 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.458 10.284 -6.845 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.394 9.335 -5.707 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.476 10.180 -7.113 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.282 10.532 -8.347 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.721 8.272 -8.658 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.193 7.817 -7.033 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.518 7.818 -7.569 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.285 8.797 -9.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.670 6.441 -9.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.167 6.977 -10.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.246 6.031 -8.672 1.00 0.00 H new ATOM 587 N GLU A 38 -5.344 10.950 -3.297 1.00 0.00 N ATOM 588 CA GLU A 38 -5.677 10.682 -1.909 1.00 0.00 C ATOM 589 C GLU A 38 -6.004 9.199 -1.718 1.00 0.00 C ATOM 590 O GLU A 38 -6.860 8.848 -0.908 1.00 0.00 O ATOM 591 CB GLU A 38 -6.838 11.563 -1.443 1.00 0.00 C ATOM 592 CG GLU A 38 -6.676 12.997 -1.952 1.00 0.00 C ATOM 593 CD GLU A 38 -7.253 14.002 -0.953 1.00 0.00 C ATOM 594 OE1 GLU A 38 -6.747 14.019 0.190 1.00 0.00 O ATOM 595 OE2 GLU A 38 -8.186 14.731 -1.355 1.00 0.00 O ATOM 0 H GLU A 38 -4.346 10.937 -3.506 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.810 10.925 -1.295 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.780 11.150 -1.803 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.885 11.563 -0.354 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.620 13.210 -2.119 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.179 13.105 -2.913 1.00 0.00 H new ATOM 602 N LYS A 39 -5.305 8.370 -2.479 1.00 0.00 N ATOM 603 CA LYS A 39 -5.510 6.933 -2.405 1.00 0.00 C ATOM 604 C LYS A 39 -4.233 6.216 -2.845 1.00 0.00 C ATOM 605 O LYS A 39 -3.300 6.849 -3.339 1.00 0.00 O ATOM 606 CB LYS A 39 -6.750 6.527 -3.203 1.00 0.00 C ATOM 607 CG LYS A 39 -7.175 7.641 -4.162 1.00 0.00 C ATOM 608 CD LYS A 39 -8.478 7.281 -4.879 1.00 0.00 C ATOM 609 CE LYS A 39 -8.278 6.085 -5.811 1.00 0.00 C ATOM 610 NZ LYS A 39 -9.570 5.662 -6.396 1.00 0.00 N ATOM 0 H LYS A 39 -4.596 8.666 -3.150 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.708 6.629 -1.377 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.542 5.617 -3.766 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.568 6.299 -2.520 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.305 8.571 -3.609 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.388 7.814 -4.896 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.249 7.049 -4.145 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.831 8.138 -5.452 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.581 6.349 -6.606 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.833 5.257 -5.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.436 5.425 -7.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.925 4.827 -5.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.259 6.437 -6.313 1.00 0.00 H new ATOM 624 N ALA A 40 -4.230 4.906 -2.651 1.00 0.00 N ATOM 625 CA ALA A 40 -3.082 4.096 -3.022 1.00 0.00 C ATOM 626 C ALA A 40 -3.568 2.777 -3.626 1.00 0.00 C ATOM 627 O ALA A 40 -4.639 2.286 -3.272 1.00 0.00 O ATOM 628 CB ALA A 40 -2.189 3.884 -1.798 1.00 0.00 C ATOM 0 H ALA A 40 -5.005 4.384 -2.241 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.482 4.603 -3.778 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.328 3.276 -2.077 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.847 4.850 -1.426 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.755 3.375 -1.018 1.00 0.00 H new ATOM 634 N VAL A 41 -2.757 2.240 -4.525 1.00 0.00 N ATOM 635 CA VAL A 41 -3.091 0.987 -5.181 1.00 0.00 C ATOM 636 C VAL A 41 -1.977 -0.031 -4.923 1.00 0.00 C ATOM 637 O VAL A 41 -0.797 0.313 -4.959 1.00 0.00 O ATOM 638 CB VAL A 41 -3.348 1.227 -6.670 1.00 0.00 C ATOM 639 CG1 VAL A 41 -3.959 -0.012 -7.327 1.00 0.00 C ATOM 640 CG2 VAL A 41 -4.236 2.455 -6.881 1.00 0.00 C ATOM 0 H VAL A 41 -1.869 2.650 -4.815 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.012 0.574 -4.769 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.389 1.421 -7.150 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.132 0.185 -8.385 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.275 -0.854 -7.222 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.906 -0.251 -6.843 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.404 2.604 -7.948 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.193 2.303 -6.381 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.745 3.335 -6.465 1.00 0.00 H new ATOM 650 N VAL A 42 -2.393 -1.263 -4.670 1.00 0.00 N ATOM 651 CA VAL A 42 -1.445 -2.333 -4.406 1.00 0.00 C ATOM 652 C VAL A 42 -1.970 -3.634 -5.017 1.00 0.00 C ATOM 653 O VAL A 42 -3.171 -3.895 -4.994 1.00 0.00 O ATOM 654 CB VAL A 42 -1.182 -2.441 -2.903 1.00 0.00 C ATOM 655 CG1 VAL A 42 -0.329 -3.670 -2.583 1.00 0.00 C ATOM 656 CG2 VAL A 42 -0.529 -1.165 -2.368 1.00 0.00 C ATOM 0 H VAL A 42 -3.373 -1.544 -4.642 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.485 -2.117 -4.875 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.143 -2.561 -2.402 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.157 -3.723 -1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.849 -4.570 -2.912 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.627 -3.594 -3.100 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.353 -1.268 -1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.420 -1.001 -2.878 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.189 -0.316 -2.547 1.00 0.00 H new ATOM 666 N LYS A 43 -1.042 -4.417 -5.548 1.00 0.00 N ATOM 667 CA LYS A 43 -1.396 -5.685 -6.163 1.00 0.00 C ATOM 668 C LYS A 43 -0.786 -6.829 -5.350 1.00 0.00 C ATOM 669 O LYS A 43 0.397 -7.134 -5.490 1.00 0.00 O ATOM 670 CB LYS A 43 -0.991 -5.696 -7.638 1.00 0.00 C ATOM 671 CG LYS A 43 -1.890 -6.634 -8.446 1.00 0.00 C ATOM 672 CD LYS A 43 -1.702 -6.415 -9.949 1.00 0.00 C ATOM 673 CE LYS A 43 -2.477 -7.458 -10.756 1.00 0.00 C ATOM 674 NZ LYS A 43 -3.200 -6.814 -11.876 1.00 0.00 N ATOM 0 H LYS A 43 -0.046 -4.198 -5.565 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.477 -5.825 -6.151 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.055 -4.686 -8.044 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.048 -6.012 -7.731 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.661 -7.669 -8.194 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.933 -6.464 -8.178 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.041 -5.415 -10.220 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.642 -6.471 -10.199 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.790 -8.211 -11.143 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.185 -7.976 -10.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.721 -7.536 -12.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.869 -6.113 -11.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.518 -6.340 -12.503 1.00 0.00 H new ATOM 688 N PHE A 44 -1.623 -7.432 -4.517 1.00 0.00 N ATOM 689 CA PHE A 44 -1.181 -8.535 -3.682 1.00 0.00 C ATOM 690 C PHE A 44 -2.129 -9.730 -3.805 1.00 0.00 C ATOM 691 O PHE A 44 -2.902 -9.818 -4.758 1.00 0.00 O ATOM 692 CB PHE A 44 -1.196 -8.036 -2.236 1.00 0.00 C ATOM 693 CG PHE A 44 -2.598 -7.773 -1.682 1.00 0.00 C ATOM 694 CD1 PHE A 44 -3.200 -6.572 -1.897 1.00 0.00 C ATOM 695 CD2 PHE A 44 -3.243 -8.740 -0.976 1.00 0.00 C ATOM 696 CE1 PHE A 44 -4.501 -6.329 -1.384 1.00 0.00 C ATOM 697 CE2 PHE A 44 -4.544 -8.497 -0.463 1.00 0.00 C ATOM 698 CZ PHE A 44 -5.146 -7.296 -0.677 1.00 0.00 C ATOM 0 H PHE A 44 -2.604 -7.177 -4.403 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.187 -8.859 -3.991 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.699 -8.772 -1.604 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.614 -7.117 -2.174 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.688 -5.804 -2.458 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.765 -9.693 -0.806 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.979 -5.376 -1.555 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.056 -9.266 0.097 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.135 -7.110 -0.286 1.00 0.00 H new ATOM 708 N ASP A 45 -2.038 -10.621 -2.828 1.00 0.00 N ATOM 709 CA ASP A 45 -2.878 -11.806 -2.816 1.00 0.00 C ATOM 710 C ASP A 45 -3.321 -12.097 -1.381 1.00 0.00 C ATOM 711 O ASP A 45 -2.537 -11.952 -0.444 1.00 0.00 O ATOM 712 CB ASP A 45 -2.114 -13.028 -3.332 1.00 0.00 C ATOM 713 CG ASP A 45 -2.993 -14.178 -3.826 1.00 0.00 C ATOM 714 OD1 ASP A 45 -4.093 -13.874 -4.335 1.00 0.00 O ATOM 715 OD2 ASP A 45 -2.543 -15.336 -3.685 1.00 0.00 O ATOM 0 H ASP A 45 -1.395 -10.546 -2.040 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.736 -11.618 -3.461 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.462 -12.713 -4.147 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.471 -13.399 -2.534 1.00 0.00 H new ATOM 720 N GLU A 46 -4.576 -12.503 -1.254 1.00 0.00 N ATOM 721 CA GLU A 46 -5.132 -12.816 0.051 1.00 0.00 C ATOM 722 C GLU A 46 -4.559 -14.136 0.570 1.00 0.00 C ATOM 723 O GLU A 46 -4.703 -14.459 1.749 1.00 0.00 O ATOM 724 CB GLU A 46 -6.661 -12.864 -0.002 1.00 0.00 C ATOM 725 CG GLU A 46 -7.272 -12.322 1.292 1.00 0.00 C ATOM 726 CD GLU A 46 -8.317 -13.288 1.852 1.00 0.00 C ATOM 727 OE1 GLU A 46 -7.902 -14.384 2.287 1.00 0.00 O ATOM 728 OE2 GLU A 46 -9.508 -12.909 1.832 1.00 0.00 O ATOM 0 H GLU A 46 -5.223 -12.622 -2.033 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.850 -12.024 0.744 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.018 -12.279 -0.850 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.991 -13.891 -0.162 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.486 -12.163 2.030 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.733 -11.352 1.103 1.00 0.00 H new ATOM 735 N ALA A 47 -3.923 -14.865 -0.335 1.00 0.00 N ATOM 736 CA ALA A 47 -3.328 -16.143 0.017 1.00 0.00 C ATOM 737 C ALA A 47 -1.931 -15.908 0.595 1.00 0.00 C ATOM 738 O ALA A 47 -1.181 -16.857 0.820 1.00 0.00 O ATOM 739 CB ALA A 47 -3.304 -17.051 -1.214 1.00 0.00 C ATOM 0 H ALA A 47 -3.807 -14.595 -1.312 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.921 -16.645 0.781 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.858 -18.010 -0.950 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.322 -17.210 -1.569 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.715 -16.581 -2.001 1.00 0.00 H new ATOM 745 N ASN A 48 -1.624 -14.639 0.820 1.00 0.00 N ATOM 746 CA ASN A 48 -0.330 -14.268 1.368 1.00 0.00 C ATOM 747 C ASN A 48 -0.515 -13.130 2.373 1.00 0.00 C ATOM 748 O ASN A 48 -0.052 -13.219 3.509 1.00 0.00 O ATOM 749 CB ASN A 48 0.614 -13.779 0.268 1.00 0.00 C ATOM 750 CG ASN A 48 1.934 -14.551 0.295 1.00 0.00 C ATOM 751 OD1 ASN A 48 2.886 -14.183 0.964 1.00 0.00 O ATOM 752 ND2 ASN A 48 1.939 -15.641 -0.468 1.00 0.00 N ATOM 0 H ASN A 48 -2.249 -13.855 0.633 1.00 0.00 H new ATOM 0 HA ASN A 48 0.099 -15.148 1.846 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.138 -13.900 -0.705 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.809 -12.714 0.398 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.774 -16.225 -0.518 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.108 -15.893 -1.003 1.00 0.00 H new ATOM 759 N VAL A 49 -1.192 -12.086 1.919 1.00 0.00 N ATOM 760 CA VAL A 49 -1.444 -10.931 2.764 1.00 0.00 C ATOM 761 C VAL A 49 -2.813 -10.341 2.421 1.00 0.00 C ATOM 762 O VAL A 49 -3.319 -10.540 1.317 1.00 0.00 O ATOM 763 CB VAL A 49 -0.304 -9.920 2.622 1.00 0.00 C ATOM 764 CG1 VAL A 49 -0.710 -8.555 3.181 1.00 0.00 C ATOM 765 CG2 VAL A 49 0.970 -10.432 3.297 1.00 0.00 C ATOM 0 H VAL A 49 -1.574 -12.016 0.976 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.471 -11.225 3.813 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.094 -9.798 1.559 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.118 -7.855 3.068 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.578 -8.182 2.637 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.960 -8.654 4.237 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.764 -9.695 3.181 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.779 -10.596 4.357 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.275 -11.370 2.834 1.00 0.00 H new ATOM 775 N GLN A 50 -3.373 -9.626 3.385 1.00 0.00 N ATOM 776 CA GLN A 50 -4.673 -9.006 3.198 1.00 0.00 C ATOM 777 C GLN A 50 -4.519 -7.495 3.014 1.00 0.00 C ATOM 778 O GLN A 50 -3.615 -6.885 3.584 1.00 0.00 O ATOM 779 CB GLN A 50 -5.606 -9.322 4.370 1.00 0.00 C ATOM 780 CG GLN A 50 -5.538 -10.806 4.738 1.00 0.00 C ATOM 781 CD GLN A 50 -4.913 -11.000 6.121 1.00 0.00 C ATOM 782 OE1 GLN A 50 -5.282 -10.361 7.093 1.00 0.00 O ATOM 783 NE2 GLN A 50 -3.947 -11.914 6.155 1.00 0.00 N ATOM 0 H GLN A 50 -2.950 -9.462 4.299 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.123 -9.419 2.296 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.330 -8.716 5.233 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.630 -9.055 4.107 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.540 -11.234 4.725 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.952 -11.343 3.992 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.687 -12.413 5.304 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.466 -12.116 7.032 1.00 0.00 H new ATOM 792 N ALA A 51 -5.415 -6.934 2.215 1.00 0.00 N ATOM 793 CA ALA A 51 -5.390 -5.506 1.948 1.00 0.00 C ATOM 794 C ALA A 51 -5.446 -4.743 3.273 1.00 0.00 C ATOM 795 O ALA A 51 -4.691 -3.793 3.479 1.00 0.00 O ATOM 796 CB ALA A 51 -6.546 -5.140 1.015 1.00 0.00 C ATOM 0 H ALA A 51 -6.163 -7.443 1.744 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.464 -5.226 1.445 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -6.527 -4.069 0.815 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.444 -5.686 0.077 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.492 -5.404 1.487 1.00 0.00 H new ATOM 802 N THR A 52 -6.347 -5.186 4.137 1.00 0.00 N ATOM 803 CA THR A 52 -6.512 -4.556 5.436 1.00 0.00 C ATOM 804 C THR A 52 -5.163 -4.447 6.150 1.00 0.00 C ATOM 805 O THR A 52 -4.856 -3.419 6.752 1.00 0.00 O ATOM 806 CB THR A 52 -7.552 -5.358 6.222 1.00 0.00 C ATOM 807 OG1 THR A 52 -8.689 -4.500 6.267 1.00 0.00 O ATOM 808 CG2 THR A 52 -7.164 -5.539 7.691 1.00 0.00 C ATOM 0 H THR A 52 -6.971 -5.974 3.963 1.00 0.00 H new ATOM 0 HA THR A 52 -6.876 -3.533 5.337 1.00 0.00 H new ATOM 0 HB THR A 52 -7.683 -6.336 5.758 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.413 -4.942 6.758 1.00 0.00 H new ATOM 0 HG21 THR A 52 -7.935 -6.114 8.203 1.00 0.00 H new ATOM 0 HG22 THR A 52 -6.214 -6.070 7.754 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.066 -4.562 8.164 1.00 0.00 H new ATOM 816 N GLU A 53 -4.393 -5.522 6.060 1.00 0.00 N ATOM 817 CA GLU A 53 -3.084 -5.560 6.690 1.00 0.00 C ATOM 818 C GLU A 53 -2.147 -4.548 6.028 1.00 0.00 C ATOM 819 O GLU A 53 -1.359 -3.890 6.705 1.00 0.00 O ATOM 820 CB GLU A 53 -2.492 -6.970 6.641 1.00 0.00 C ATOM 821 CG GLU A 53 -2.130 -7.462 8.044 1.00 0.00 C ATOM 822 CD GLU A 53 -0.897 -8.366 8.006 1.00 0.00 C ATOM 823 OE1 GLU A 53 -0.892 -9.284 7.157 1.00 0.00 O ATOM 824 OE2 GLU A 53 0.013 -8.120 8.826 1.00 0.00 O ATOM 0 H GLU A 53 -4.651 -6.373 5.560 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.199 -5.287 7.739 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.209 -7.654 6.186 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.603 -6.973 6.010 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.940 -6.609 8.695 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.972 -8.007 8.471 1.00 0.00 H new ATOM 831 N ILE A 54 -2.263 -4.456 4.711 1.00 0.00 N ATOM 832 CA ILE A 54 -1.436 -3.536 3.949 1.00 0.00 C ATOM 833 C ILE A 54 -1.663 -2.111 4.459 1.00 0.00 C ATOM 834 O ILE A 54 -0.731 -1.310 4.510 1.00 0.00 O ATOM 835 CB ILE A 54 -1.692 -3.701 2.450 1.00 0.00 C ATOM 836 CG1 ILE A 54 -1.310 -5.106 1.980 1.00 0.00 C ATOM 837 CG2 ILE A 54 -0.973 -2.614 1.648 1.00 0.00 C ATOM 838 CD1 ILE A 54 -1.673 -5.309 0.508 1.00 0.00 C ATOM 0 H ILE A 54 -2.917 -5.004 4.152 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.380 -3.763 4.095 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.760 -3.580 2.271 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.240 -5.262 2.119 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.822 -5.849 2.591 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.172 -2.754 0.585 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.335 -1.634 1.958 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.100 -2.679 1.828 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.391 -6.316 0.199 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.747 -5.177 0.376 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.140 -4.580 -0.102 1.00 0.00 H new ATOM 850 N CYS A 55 -2.908 -1.839 4.823 1.00 0.00 N ATOM 851 CA CYS A 55 -3.269 -0.524 5.326 1.00 0.00 C ATOM 852 C CYS A 55 -2.472 -0.264 6.606 1.00 0.00 C ATOM 853 O CYS A 55 -1.961 0.836 6.811 1.00 0.00 O ATOM 854 CB CYS A 55 -4.777 -0.403 5.558 1.00 0.00 C ATOM 855 SG CYS A 55 -5.490 0.828 4.406 1.00 0.00 S ATOM 0 H CYS A 55 -3.679 -2.506 4.780 1.00 0.00 H new ATOM 0 HA CYS A 55 -3.019 0.234 4.584 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -5.255 -1.371 5.410 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.972 -0.105 6.588 1.00 0.00 H new ATOM 0 HG CYS A 55 -4.548 1.609 3.967 1.00 0.00 H new ATOM 861 N GLN A 56 -2.391 -1.295 7.434 1.00 0.00 N ATOM 862 CA GLN A 56 -1.665 -1.192 8.689 1.00 0.00 C ATOM 863 C GLN A 56 -0.199 -0.841 8.426 1.00 0.00 C ATOM 864 O GLN A 56 0.396 -0.054 9.161 1.00 0.00 O ATOM 865 CB GLN A 56 -1.783 -2.485 9.498 1.00 0.00 C ATOM 866 CG GLN A 56 -2.064 -2.185 10.972 1.00 0.00 C ATOM 867 CD GLN A 56 -0.762 -2.105 11.773 1.00 0.00 C ATOM 868 OE1 GLN A 56 0.203 -2.804 11.510 1.00 0.00 O ATOM 869 NE2 GLN A 56 -0.790 -1.218 12.763 1.00 0.00 N ATOM 0 H GLN A 56 -2.816 -2.206 7.261 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.110 -0.391 9.280 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.583 -3.102 9.090 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.861 -3.059 9.409 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.607 -1.244 11.058 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -2.705 -2.962 11.389 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.631 -0.665 12.929 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.029 -1.091 13.357 1.00 0.00 H new ATOM 878 N ALA A 57 0.341 -1.443 7.376 1.00 0.00 N ATOM 879 CA ALA A 57 1.726 -1.204 7.008 1.00 0.00 C ATOM 880 C ALA A 57 1.907 0.273 6.651 1.00 0.00 C ATOM 881 O ALA A 57 2.988 0.832 6.834 1.00 0.00 O ATOM 882 CB ALA A 57 2.116 -2.134 5.857 1.00 0.00 C ATOM 0 H ALA A 57 -0.155 -2.095 6.769 1.00 0.00 H new ATOM 0 HA ALA A 57 2.389 -1.424 7.845 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.155 -1.955 5.581 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.998 -3.171 6.171 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.473 -1.939 4.998 1.00 0.00 H new ATOM 888 N ILE A 58 0.833 0.863 6.148 1.00 0.00 N ATOM 889 CA ILE A 58 0.859 2.264 5.764 1.00 0.00 C ATOM 890 C ILE A 58 0.735 3.134 7.017 1.00 0.00 C ATOM 891 O ILE A 58 1.558 4.018 7.247 1.00 0.00 O ATOM 892 CB ILE A 58 -0.210 2.551 4.708 1.00 0.00 C ATOM 893 CG1 ILE A 58 0.137 1.875 3.380 1.00 0.00 C ATOM 894 CG2 ILE A 58 -0.430 4.056 4.544 1.00 0.00 C ATOM 895 CD1 ILE A 58 -1.126 1.389 2.666 1.00 0.00 C ATOM 0 H ILE A 58 -0.061 0.396 5.997 1.00 0.00 H new ATOM 0 HA ILE A 58 1.811 2.513 5.295 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.152 2.124 5.051 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.674 2.576 2.740 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.804 1.032 3.560 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.195 4.232 3.787 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.754 4.482 5.493 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.502 4.528 4.234 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.851 0.912 1.725 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.648 0.670 3.298 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.780 2.238 2.466 1.00 0.00 H new ATOM 907 N ASN A 59 -0.302 2.853 7.793 1.00 0.00 N ATOM 908 CA ASN A 59 -0.545 3.599 9.016 1.00 0.00 C ATOM 909 C ASN A 59 0.612 3.364 9.990 1.00 0.00 C ATOM 910 O ASN A 59 0.883 4.201 10.850 1.00 0.00 O ATOM 911 CB ASN A 59 -1.836 3.138 9.695 1.00 0.00 C ATOM 912 CG ASN A 59 -3.032 3.964 9.219 1.00 0.00 C ATOM 913 OD1 ASN A 59 -3.136 5.154 9.469 1.00 0.00 O ATOM 914 ND2 ASN A 59 -3.925 3.270 8.520 1.00 0.00 N ATOM 0 H ASN A 59 -0.983 2.119 7.598 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.631 4.654 8.756 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.008 2.084 9.478 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.734 3.229 10.776 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.759 3.732 8.157 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.776 2.276 8.347 1.00 0.00 H new ATOM 921 N GLU A 60 1.262 2.222 9.822 1.00 0.00 N ATOM 922 CA GLU A 60 2.383 1.867 10.675 1.00 0.00 C ATOM 923 C GLU A 60 3.545 2.839 10.458 1.00 0.00 C ATOM 924 O GLU A 60 4.518 2.827 11.210 1.00 0.00 O ATOM 925 CB GLU A 60 2.824 0.423 10.428 1.00 0.00 C ATOM 926 CG GLU A 60 2.049 -0.547 11.322 1.00 0.00 C ATOM 927 CD GLU A 60 2.693 -0.652 12.706 1.00 0.00 C ATOM 928 OE1 GLU A 60 3.136 0.404 13.207 1.00 0.00 O ATOM 929 OE2 GLU A 60 2.728 -1.785 13.232 1.00 0.00 O ATOM 0 H GLU A 60 1.034 1.531 9.108 1.00 0.00 H new ATOM 0 HA GLU A 60 2.061 1.942 11.714 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.665 0.164 9.381 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.892 0.327 10.621 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.017 -0.210 11.422 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.019 -1.532 10.856 1.00 0.00 H new ATOM 936 N LEU A 61 3.404 3.658 9.426 1.00 0.00 N ATOM 937 CA LEU A 61 4.429 4.635 9.101 1.00 0.00 C ATOM 938 C LEU A 61 4.213 5.895 9.942 1.00 0.00 C ATOM 939 O LEU A 61 4.907 6.110 10.934 1.00 0.00 O ATOM 940 CB LEU A 61 4.459 4.899 7.594 1.00 0.00 C ATOM 941 CG LEU A 61 4.508 3.661 6.697 1.00 0.00 C ATOM 942 CD1 LEU A 61 4.476 4.053 5.219 1.00 0.00 C ATOM 943 CD2 LEU A 61 5.720 2.789 7.032 1.00 0.00 C ATOM 0 H LEU A 61 2.595 3.665 8.804 1.00 0.00 H new ATOM 0 HA LEU A 61 5.417 4.249 9.354 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.576 5.480 7.329 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.327 5.519 7.371 1.00 0.00 H new ATOM 0 HG LEU A 61 3.617 3.063 6.891 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.512 3.154 4.603 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.558 4.601 5.008 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.335 4.683 4.991 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.731 1.916 6.380 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.634 3.364 6.884 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.659 2.465 8.071 1.00 0.00 H new ATOM 955 N GLY A 62 3.247 6.695 9.514 1.00 0.00 N ATOM 956 CA GLY A 62 2.930 7.927 10.215 1.00 0.00 C ATOM 957 C GLY A 62 1.888 8.743 9.447 1.00 0.00 C ATOM 958 O GLY A 62 1.954 9.970 9.417 1.00 0.00 O ATOM 0 H GLY A 62 2.674 6.513 8.690 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.554 7.696 11.212 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.836 8.519 10.346 1.00 0.00 H new ATOM 962 N TYR A 63 0.949 8.027 8.845 1.00 0.00 N ATOM 963 CA TYR A 63 -0.106 8.669 8.079 1.00 0.00 C ATOM 964 C TYR A 63 -1.423 7.901 8.210 1.00 0.00 C ATOM 965 O TYR A 63 -1.488 6.887 8.902 1.00 0.00 O ATOM 966 CB TYR A 63 0.351 8.631 6.620 1.00 0.00 C ATOM 967 CG TYR A 63 1.870 8.586 6.443 1.00 0.00 C ATOM 968 CD1 TYR A 63 2.628 9.711 6.696 1.00 0.00 C ATOM 969 CD2 TYR A 63 2.482 7.420 6.031 1.00 0.00 C ATOM 970 CE1 TYR A 63 4.057 9.669 6.530 1.00 0.00 C ATOM 971 CE2 TYR A 63 3.912 7.377 5.865 1.00 0.00 C ATOM 972 CZ TYR A 63 4.629 8.504 6.123 1.00 0.00 C ATOM 973 OH TYR A 63 5.979 8.464 5.966 1.00 0.00 O ATOM 0 H TYR A 63 0.897 7.009 8.872 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.278 9.684 8.437 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.087 7.758 6.136 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.038 9.509 6.105 1.00 0.00 H new ATOM 0 HD1 TYR A 63 2.149 10.623 7.019 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.889 6.540 5.833 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.661 10.543 6.724 1.00 0.00 H new ATOM 0 HE2 TYR A 63 4.404 6.471 5.543 1.00 0.00 H new ATOM 0 HH TYR A 63 6.274 9.256 5.471 1.00 0.00 H new ATOM 983 N GLN A 64 -2.439 8.414 7.533 1.00 0.00 N ATOM 984 CA GLN A 64 -3.751 7.790 7.564 1.00 0.00 C ATOM 985 C GLN A 64 -4.035 7.086 6.235 1.00 0.00 C ATOM 986 O GLN A 64 -3.837 7.664 5.168 1.00 0.00 O ATOM 987 CB GLN A 64 -4.839 8.816 7.885 1.00 0.00 C ATOM 988 CG GLN A 64 -6.199 8.356 7.356 1.00 0.00 C ATOM 989 CD GLN A 64 -7.340 8.963 8.176 1.00 0.00 C ATOM 990 OE1 GLN A 64 -8.104 8.273 8.831 1.00 0.00 O ATOM 991 NE2 GLN A 64 -7.412 10.289 8.103 1.00 0.00 N ATOM 0 H GLN A 64 -2.380 9.255 6.959 1.00 0.00 H new ATOM 0 HA GLN A 64 -3.758 7.043 8.357 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.896 8.966 8.963 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.579 9.778 7.443 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.304 8.646 6.310 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.259 7.268 7.393 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.740 10.806 7.536 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.139 10.789 8.614 1.00 0.00 H new ATOM 1000 N ALA A 65 -4.497 5.849 6.344 1.00 0.00 N ATOM 1001 CA ALA A 65 -4.811 5.061 5.165 1.00 0.00 C ATOM 1002 C ALA A 65 -6.018 4.168 5.460 1.00 0.00 C ATOM 1003 O ALA A 65 -6.031 3.445 6.455 1.00 0.00 O ATOM 1004 CB ALA A 65 -3.579 4.256 4.746 1.00 0.00 C ATOM 0 H ALA A 65 -4.661 5.373 7.231 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.077 5.709 4.330 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.814 3.665 3.861 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.759 4.937 4.519 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.285 3.592 5.559 1.00 0.00 H new ATOM 1010 N GLU A 66 -7.002 4.247 4.577 1.00 0.00 N ATOM 1011 CA GLU A 66 -8.211 3.455 4.730 1.00 0.00 C ATOM 1012 C GLU A 66 -8.336 2.451 3.583 1.00 0.00 C ATOM 1013 O GLU A 66 -8.439 2.840 2.421 1.00 0.00 O ATOM 1014 CB GLU A 66 -9.447 4.352 4.812 1.00 0.00 C ATOM 1015 CG GLU A 66 -9.816 4.647 6.267 1.00 0.00 C ATOM 1016 CD GLU A 66 -10.286 3.379 6.982 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -10.912 2.541 6.298 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -10.008 3.275 8.196 1.00 0.00 O ATOM 0 H GLU A 66 -6.987 4.847 3.753 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.143 2.900 5.666 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.258 5.287 4.285 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.286 3.868 4.312 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.953 5.063 6.787 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.603 5.400 6.301 1.00 0.00 H new ATOM 1025 N VAL A 67 -8.324 1.177 3.949 1.00 0.00 N ATOM 1026 CA VAL A 67 -8.435 0.114 2.965 1.00 0.00 C ATOM 1027 C VAL A 67 -9.817 0.173 2.311 1.00 0.00 C ATOM 1028 O VAL A 67 -10.831 0.269 3.001 1.00 0.00 O ATOM 1029 CB VAL A 67 -8.141 -1.237 3.619 1.00 0.00 C ATOM 1030 CG1 VAL A 67 -9.433 -1.922 4.068 1.00 0.00 C ATOM 1031 CG2 VAL A 67 -7.340 -2.139 2.677 1.00 0.00 C ATOM 0 H VAL A 67 -8.239 0.857 4.914 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.695 0.246 2.175 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.534 -1.055 4.506 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.195 -2.880 4.530 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.948 -1.289 4.791 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.077 -2.085 3.204 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.144 -3.093 3.166 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.910 -2.309 1.764 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.394 -1.658 2.429 1.00 0.00 H new ATOM 1041 N ILE A 68 -9.814 0.114 0.988 1.00 0.00 N ATOM 1042 CA ILE A 68 -11.054 0.159 0.233 1.00 0.00 C ATOM 1043 C ILE A 68 -11.218 -1.145 -0.551 1.00 0.00 C ATOM 1044 O ILE A 68 -12.313 -1.702 -0.614 1.00 0.00 O ATOM 1045 CB ILE A 68 -11.103 1.413 -0.643 1.00 0.00 C ATOM 1046 CG1 ILE A 68 -9.935 2.349 -0.326 1.00 0.00 C ATOM 1047 CG2 ILE A 68 -12.455 2.119 -0.515 1.00 0.00 C ATOM 1048 CD1 ILE A 68 -10.186 3.749 -0.890 1.00 0.00 C ATOM 0 H ILE A 68 -8.971 0.035 0.419 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.907 0.235 0.907 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.997 1.107 -1.684 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -9.794 2.408 0.753 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -9.015 1.943 -0.746 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -12.463 3.007 -1.147 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -13.250 1.442 -0.829 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -12.616 2.411 0.523 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -9.341 4.395 -0.651 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.303 3.690 -1.972 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -11.094 4.161 -0.449 1.00 0.00 H new TER 1060 ILE A 68