USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 867 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 ASN : amide:sc= -2.09 X(o=-4.1,f=-4.3!) USER MOD Set 1.2: A 41 GLN :FLIP amide:sc= -2.01 F(o=-5.3,f=-4.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 146:sc= -0.0701 (180deg=-0.917) USER MOD Single : A 2 SER OG : rot 180:sc= -0.22 USER MOD Single : A 5 THR OG1 : rot -43:sc=0.000654 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.685 K(o=-0.68,f=-5.9!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.621 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 50 LYS NZ :NH3+ 149:sc= -0.155 (180deg=-0.772) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.0997 F(o=-0.78,f=-0.1) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 141:sc= 0.429 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 150:sc= 0.163 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 74:sc= 0.918 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 166:sc= -0.0129 (180deg=-0.174) USER MOD Single : A 86 GLN : amide:sc=-0.00735 K(o=-0.0074,f=-2.7!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 157:sc= 1.16 USER MOD Single : A 100 LYS NZ :NH3+ 168:sc= 0.335 (180deg=0.227) USER MOD Single : A 106 HIS : no HD1:sc= -0.104 X(o=-0.1,f=-0.032) USER MOD Single : A 107 HIS : no HD1:sc= -0.0849 X(o=-0.085,f=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.277 X(o=-0.28,f=-0.25) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 HIS : no HD1:sc= -0.0251 X(o=-0.025,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.653 -1.068 -2.648 1.00 0.00 N ATOM 2 CA MET A 1 3.088 -0.029 -1.796 1.00 0.00 C ATOM 3 C MET A 1 4.071 1.124 -1.619 1.00 0.00 C ATOM 4 O MET A 1 5.215 1.050 -2.066 1.00 0.00 O ATOM 5 CB MET A 1 2.711 -0.608 -0.430 1.00 0.00 C ATOM 6 CG MET A 1 3.808 -1.456 0.194 1.00 0.00 C ATOM 7 SD MET A 1 3.339 -3.189 0.354 1.00 0.00 S ATOM 8 CE MET A 1 2.296 -3.124 1.809 1.00 0.00 C ATOM 0 H1 MET A 1 3.317 -1.999 -2.329 1.00 0.00 H new ATOM 0 H2 MET A 1 3.354 -0.911 -3.632 1.00 0.00 H new ATOM 0 H3 MET A 1 4.691 -1.036 -2.592 1.00 0.00 H new ATOM 0 HA MET A 1 2.190 0.354 -2.280 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.466 0.210 0.247 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.811 -1.214 -0.537 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.709 -1.382 -0.414 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.054 -1.058 1.178 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.927 -4.124 2.037 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.873 -2.749 2.654 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.452 -2.460 1.622 1.00 0.00 H new ATOM 18 N SER A 2 3.616 2.188 -0.965 1.00 0.00 N ATOM 19 CA SER A 2 4.455 3.358 -0.733 1.00 0.00 C ATOM 20 C SER A 2 3.691 4.430 0.039 1.00 0.00 C ATOM 21 O SER A 2 2.727 5.007 -0.466 1.00 0.00 O ATOM 22 CB SER A 2 4.951 3.928 -2.063 1.00 0.00 C ATOM 23 OG SER A 2 4.078 3.581 -3.124 1.00 0.00 O ATOM 0 H SER A 2 2.672 2.264 -0.587 1.00 0.00 H new ATOM 0 HA SER A 2 5.313 3.047 -0.137 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.028 5.013 -1.991 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.952 3.551 -2.273 1.00 0.00 H new ATOM 0 HG SER A 2 4.416 3.958 -3.963 1.00 0.00 H new ATOM 29 N VAL A 3 4.128 4.691 1.267 1.00 0.00 N ATOM 30 CA VAL A 3 3.487 5.694 2.109 1.00 0.00 C ATOM 31 C VAL A 3 3.301 7.006 1.356 1.00 0.00 C ATOM 32 O VAL A 3 2.368 7.761 1.629 1.00 0.00 O ATOM 33 CB VAL A 3 4.306 5.960 3.387 1.00 0.00 C ATOM 34 CG1 VAL A 3 3.711 7.119 4.171 1.00 0.00 C ATOM 35 CG2 VAL A 3 4.376 4.705 4.245 1.00 0.00 C ATOM 0 H VAL A 3 4.923 4.222 1.701 1.00 0.00 H new ATOM 0 HA VAL A 3 2.511 5.297 2.387 1.00 0.00 H new ATOM 0 HB VAL A 3 5.321 6.232 3.097 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.303 7.292 5.070 1.00 0.00 H new ATOM 0 HG12 VAL A 3 3.718 8.017 3.554 1.00 0.00 H new ATOM 0 HG13 VAL A 3 2.685 6.880 4.452 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.958 4.910 5.143 1.00 0.00 H new ATOM 0 HG22 VAL A 3 3.368 4.401 4.527 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.852 3.904 3.680 1.00 0.00 H new ATOM 45 N GLU A 4 4.194 7.271 0.408 1.00 0.00 N ATOM 46 CA GLU A 4 4.127 8.493 -0.384 1.00 0.00 C ATOM 47 C GLU A 4 2.880 8.504 -1.264 1.00 0.00 C ATOM 48 O GLU A 4 2.202 9.524 -1.389 1.00 0.00 O ATOM 49 CB GLU A 4 5.378 8.634 -1.253 1.00 0.00 C ATOM 50 CG GLU A 4 6.384 9.638 -0.714 1.00 0.00 C ATOM 51 CD GLU A 4 7.712 8.999 -0.356 1.00 0.00 C ATOM 52 OE1 GLU A 4 8.121 8.050 -1.057 1.00 0.00 O ATOM 53 OE2 GLU A 4 8.341 9.448 0.624 1.00 0.00 O ATOM 0 H GLU A 4 4.972 6.656 0.170 1.00 0.00 H new ATOM 0 HA GLU A 4 4.074 9.337 0.303 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.860 7.661 -1.341 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.080 8.934 -2.258 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.549 10.417 -1.459 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.969 10.124 0.169 1.00 0.00 H new ATOM 60 N THR A 5 2.583 7.360 -1.873 1.00 0.00 N ATOM 61 CA THR A 5 1.420 7.236 -2.742 1.00 0.00 C ATOM 62 C THR A 5 0.125 7.386 -1.952 1.00 0.00 C ATOM 63 O THR A 5 -0.954 7.525 -2.531 1.00 0.00 O ATOM 64 CB THR A 5 1.407 5.882 -3.475 1.00 0.00 C ATOM 65 OG1 THR A 5 0.665 5.991 -4.695 1.00 0.00 O ATOM 66 CG2 THR A 5 0.796 4.798 -2.600 1.00 0.00 C ATOM 0 H THR A 5 3.133 6.506 -1.780 1.00 0.00 H new ATOM 0 HA THR A 5 1.489 8.037 -3.478 1.00 0.00 H new ATOM 0 HB THR A 5 2.437 5.607 -3.700 1.00 0.00 H new ATOM 0 HG1 THR A 5 -0.150 6.511 -4.537 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.798 3.851 -3.139 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.381 4.696 -1.686 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.229 5.069 -2.347 1.00 0.00 H new ATOM 74 N ILE A 6 0.238 7.357 -0.629 1.00 0.00 N ATOM 75 CA ILE A 6 -0.925 7.491 0.240 1.00 0.00 C ATOM 76 C ILE A 6 -1.285 8.957 0.455 1.00 0.00 C ATOM 77 O ILE A 6 -2.414 9.374 0.197 1.00 0.00 O ATOM 78 CB ILE A 6 -0.685 6.826 1.609 1.00 0.00 C ATOM 79 CG1 ILE A 6 0.152 5.557 1.444 1.00 0.00 C ATOM 80 CG2 ILE A 6 -2.011 6.509 2.283 1.00 0.00 C ATOM 81 CD1 ILE A 6 -0.479 4.531 0.528 1.00 0.00 C ATOM 0 H ILE A 6 1.123 7.242 -0.135 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.752 6.986 -0.260 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.135 7.521 2.243 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.133 5.827 1.053 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.312 5.107 2.424 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.825 6.040 3.249 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.574 7.431 2.430 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.586 5.829 1.654 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.170 3.658 0.458 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.448 4.232 0.929 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.614 4.963 -0.464 1.00 0.00 H new ATOM 93 N ILE A 7 -0.316 9.735 0.927 1.00 0.00 N ATOM 94 CA ILE A 7 -0.530 11.155 1.174 1.00 0.00 C ATOM 95 C ILE A 7 -1.018 11.864 -0.085 1.00 0.00 C ATOM 96 O ILE A 7 -1.929 12.689 -0.029 1.00 0.00 O ATOM 97 CB ILE A 7 0.758 11.840 1.669 1.00 0.00 C ATOM 98 CG1 ILE A 7 1.111 11.355 3.076 1.00 0.00 C ATOM 99 CG2 ILE A 7 0.594 13.353 1.650 1.00 0.00 C ATOM 100 CD1 ILE A 7 0.040 11.651 4.104 1.00 0.00 C ATOM 0 H ILE A 7 0.624 9.406 1.146 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.293 11.230 1.949 1.00 0.00 H new ATOM 0 HB ILE A 7 1.575 11.574 0.998 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.288 10.280 3.047 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.044 11.824 3.390 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.512 13.823 2.002 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.384 13.684 0.633 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.232 13.638 2.301 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.358 11.279 5.078 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.122 12.727 4.162 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.889 11.160 3.814 1.00 0.00 H new ATOM 112 N GLU A 8 -0.406 11.535 -1.218 1.00 0.00 N ATOM 113 CA GLU A 8 -0.780 12.141 -2.491 1.00 0.00 C ATOM 114 C GLU A 8 -2.296 12.155 -2.662 1.00 0.00 C ATOM 115 O GLU A 8 -2.880 13.175 -3.030 1.00 0.00 O ATOM 116 CB GLU A 8 -0.132 11.383 -3.651 1.00 0.00 C ATOM 117 CG GLU A 8 0.428 12.290 -4.734 1.00 0.00 C ATOM 118 CD GLU A 8 -0.620 13.216 -5.320 1.00 0.00 C ATOM 119 OE1 GLU A 8 -1.498 12.723 -6.059 1.00 0.00 O ATOM 120 OE2 GLU A 8 -0.563 14.431 -5.039 1.00 0.00 O ATOM 0 H GLU A 8 0.350 10.853 -1.281 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.422 13.171 -2.494 1.00 0.00 H new ATOM 0 HB2 GLU A 8 0.671 10.758 -3.262 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.870 10.715 -4.094 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.242 12.885 -4.319 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.853 11.679 -5.530 1.00 0.00 H new ATOM 127 N ARG A 9 -2.927 11.017 -2.393 1.00 0.00 N ATOM 128 CA ARG A 9 -4.374 10.897 -2.519 1.00 0.00 C ATOM 129 C ARG A 9 -5.084 11.813 -1.526 1.00 0.00 C ATOM 130 O ARG A 9 -6.161 12.337 -1.810 1.00 0.00 O ATOM 131 CB ARG A 9 -4.809 9.448 -2.293 1.00 0.00 C ATOM 132 CG ARG A 9 -3.943 8.432 -3.019 1.00 0.00 C ATOM 133 CD ARG A 9 -4.781 7.496 -3.876 1.00 0.00 C ATOM 134 NE ARG A 9 -4.604 7.755 -5.302 1.00 0.00 N ATOM 135 CZ ARG A 9 -3.574 7.304 -6.009 1.00 0.00 C ATOM 136 NH1 ARG A 9 -2.633 6.575 -5.424 1.00 0.00 N ATOM 137 NH2 ARG A 9 -3.483 7.581 -7.303 1.00 0.00 N ATOM 0 H ARG A 9 -2.458 10.165 -2.086 1.00 0.00 H new ATOM 0 HA ARG A 9 -4.652 11.199 -3.529 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.788 9.234 -1.225 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.842 9.332 -2.621 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.219 8.952 -3.647 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -3.375 7.851 -2.292 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -4.508 6.463 -3.658 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -5.833 7.610 -3.615 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.310 8.313 -5.782 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.699 6.360 -4.429 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.843 6.230 -5.969 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -4.205 8.141 -7.757 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -2.691 7.234 -7.844 1.00 0.00 H new ATOM 151 N ILE A 10 -4.473 12.001 -0.361 1.00 0.00 N ATOM 152 CA ILE A 10 -5.045 12.853 0.673 1.00 0.00 C ATOM 153 C ILE A 10 -5.012 14.320 0.257 1.00 0.00 C ATOM 154 O ILE A 10 -6.035 15.005 0.272 1.00 0.00 O ATOM 155 CB ILE A 10 -4.300 12.693 2.011 1.00 0.00 C ATOM 156 CG1 ILE A 10 -4.624 11.337 2.642 1.00 0.00 C ATOM 157 CG2 ILE A 10 -4.666 13.825 2.960 1.00 0.00 C ATOM 158 CD1 ILE A 10 -3.579 10.864 3.628 1.00 0.00 C ATOM 0 H ILE A 10 -3.581 11.574 -0.110 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.080 12.538 0.804 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.228 12.737 1.820 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.587 11.402 3.149 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.729 10.594 1.852 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.131 13.698 3.901 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.390 14.779 2.512 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.740 13.810 3.148 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.874 9.897 4.035 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.619 10.766 3.122 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.490 11.587 4.439 1.00 0.00 H new ATOM 170 N LYS A 11 -3.829 14.796 -0.115 1.00 0.00 N ATOM 171 CA LYS A 11 -3.660 16.181 -0.539 1.00 0.00 C ATOM 172 C LYS A 11 -4.484 16.472 -1.789 1.00 0.00 C ATOM 173 O LYS A 11 -5.221 17.456 -1.843 1.00 0.00 O ATOM 174 CB LYS A 11 -2.183 16.478 -0.808 1.00 0.00 C ATOM 175 CG LYS A 11 -1.237 15.775 0.150 1.00 0.00 C ATOM 176 CD LYS A 11 0.171 16.338 0.057 1.00 0.00 C ATOM 177 CE LYS A 11 0.691 16.306 -1.373 1.00 0.00 C ATOM 178 NZ LYS A 11 2.041 15.685 -1.458 1.00 0.00 N ATOM 0 H LYS A 11 -2.972 14.243 -0.132 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.013 16.826 0.266 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.941 16.180 -1.828 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.020 17.554 -0.743 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.606 15.881 1.170 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.219 14.708 -0.073 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.179 17.364 0.425 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.837 15.763 0.700 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.005 15.749 -2.000 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.733 17.321 -1.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.360 15.682 -2.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.711 16.231 -0.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.996 14.707 -1.106 1.00 0.00 H new ATOM 192 N ALA A 12 -4.355 15.608 -2.791 1.00 0.00 N ATOM 193 CA ALA A 12 -5.091 15.771 -4.039 1.00 0.00 C ATOM 194 C ALA A 12 -6.583 15.945 -3.778 1.00 0.00 C ATOM 195 O ALA A 12 -7.268 16.669 -4.501 1.00 0.00 O ATOM 196 CB ALA A 12 -4.848 14.579 -4.953 1.00 0.00 C ATOM 0 H ALA A 12 -3.748 14.789 -2.763 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.728 16.673 -4.532 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.403 14.713 -5.881 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.784 14.502 -5.175 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.183 13.667 -4.459 1.00 0.00 H new ATOM 202 N ARG A 13 -7.080 15.278 -2.742 1.00 0.00 N ATOM 203 CA ARG A 13 -8.492 15.358 -2.388 1.00 0.00 C ATOM 204 C ARG A 13 -8.791 16.650 -1.634 1.00 0.00 C ATOM 205 O ARG A 13 -9.761 17.346 -1.934 1.00 0.00 O ATOM 206 CB ARG A 13 -8.894 14.153 -1.535 1.00 0.00 C ATOM 207 CG ARG A 13 -8.981 12.854 -2.319 1.00 0.00 C ATOM 208 CD ARG A 13 -10.368 12.649 -2.907 1.00 0.00 C ATOM 209 NE ARG A 13 -11.322 12.175 -1.907 1.00 0.00 N ATOM 210 CZ ARG A 13 -12.579 11.852 -2.186 1.00 0.00 C ATOM 211 NH1 ARG A 13 -13.033 11.950 -3.428 1.00 0.00 N ATOM 212 NH2 ARG A 13 -13.387 11.429 -1.222 1.00 0.00 N ATOM 0 H ARG A 13 -6.526 14.676 -2.133 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.073 15.353 -3.310 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.171 14.033 -0.728 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.860 14.353 -1.071 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.242 12.862 -3.121 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.734 12.017 -1.666 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.724 13.588 -3.331 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.313 11.930 -3.725 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.005 12.087 -0.942 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.416 12.274 -4.172 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.999 11.701 -3.639 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.042 11.352 -0.265 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.353 11.181 -1.438 1.00 0.00 H new ATOM 226 N VAL A 14 -7.951 16.965 -0.653 1.00 0.00 N ATOM 227 CA VAL A 14 -8.124 18.174 0.144 1.00 0.00 C ATOM 228 C VAL A 14 -8.328 19.394 -0.747 1.00 0.00 C ATOM 229 O VAL A 14 -9.207 20.218 -0.497 1.00 0.00 O ATOM 230 CB VAL A 14 -6.912 18.419 1.062 1.00 0.00 C ATOM 231 CG1 VAL A 14 -7.164 19.613 1.971 1.00 0.00 C ATOM 232 CG2 VAL A 14 -6.602 17.174 1.878 1.00 0.00 C ATOM 0 H VAL A 14 -7.144 16.399 -0.391 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.011 18.024 0.759 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.046 18.643 0.440 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.297 19.771 2.613 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.334 20.503 1.364 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.042 19.422 2.588 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -5.743 17.365 2.521 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.465 16.917 2.492 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.376 16.346 1.206 1.00 0.00 H new ATOM 242 N GLY A 15 -7.509 19.504 -1.789 1.00 0.00 N ATOM 243 CA GLY A 15 -7.617 20.627 -2.702 1.00 0.00 C ATOM 244 C GLY A 15 -8.956 20.672 -3.411 1.00 0.00 C ATOM 245 O GLY A 15 -9.372 21.722 -3.899 1.00 0.00 O ATOM 0 H GLY A 15 -6.773 18.836 -2.017 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.471 21.555 -2.150 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.819 20.567 -3.442 1.00 0.00 H new ATOM 249 N ALA A 16 -9.632 19.529 -3.469 1.00 0.00 N ATOM 250 CA ALA A 16 -10.931 19.442 -4.123 1.00 0.00 C ATOM 251 C ALA A 16 -12.065 19.541 -3.108 1.00 0.00 C ATOM 252 O ALA A 16 -13.139 20.060 -3.410 1.00 0.00 O ATOM 253 CB ALA A 16 -11.039 18.147 -4.913 1.00 0.00 C ATOM 0 H ALA A 16 -9.301 18.650 -3.071 1.00 0.00 H new ATOM 0 HA ALA A 16 -11.020 20.283 -4.811 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -12.015 18.096 -5.396 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.257 18.117 -5.671 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.923 17.299 -4.239 1.00 0.00 H new ATOM 259 N VAL A 17 -11.818 19.039 -1.902 1.00 0.00 N ATOM 260 CA VAL A 17 -12.818 19.071 -0.841 1.00 0.00 C ATOM 261 C VAL A 17 -13.404 20.469 -0.681 1.00 0.00 C ATOM 262 O VAL A 17 -12.715 21.469 -0.883 1.00 0.00 O ATOM 263 CB VAL A 17 -12.223 18.618 0.505 1.00 0.00 C ATOM 264 CG1 VAL A 17 -13.280 18.661 1.598 1.00 0.00 C ATOM 265 CG2 VAL A 17 -11.628 17.223 0.382 1.00 0.00 C ATOM 0 H VAL A 17 -10.934 18.605 -1.635 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.609 18.379 -1.130 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.423 19.306 0.779 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -12.841 18.338 2.542 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -13.654 19.679 1.702 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -14.103 17.997 1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -11.212 16.919 1.343 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -12.406 16.520 0.085 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.839 17.229 -0.370 1.00 0.00 H new ATOM 275 N ASP A 18 -14.680 20.531 -0.316 1.00 0.00 N ATOM 276 CA ASP A 18 -15.360 21.807 -0.126 1.00 0.00 C ATOM 277 C ASP A 18 -14.782 22.558 1.070 1.00 0.00 C ATOM 278 O ASP A 18 -14.189 21.971 1.975 1.00 0.00 O ATOM 279 CB ASP A 18 -16.860 21.586 0.072 1.00 0.00 C ATOM 280 CG ASP A 18 -17.664 21.925 -1.168 1.00 0.00 C ATOM 281 OD1 ASP A 18 -17.261 22.853 -1.901 1.00 0.00 O ATOM 282 OD2 ASP A 18 -18.695 21.262 -1.406 1.00 0.00 O ATOM 0 H ASP A 18 -15.264 19.712 -0.146 1.00 0.00 H new ATOM 0 HA ASP A 18 -15.205 22.410 -1.021 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -17.038 20.546 0.344 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -17.207 22.197 0.905 1.00 0.00 H new ATOM 287 N PRO A 19 -14.956 23.888 1.074 1.00 0.00 N ATOM 288 CA PRO A 19 -14.458 24.748 2.152 1.00 0.00 C ATOM 289 C PRO A 19 -15.223 24.545 3.455 1.00 0.00 C ATOM 290 O PRO A 19 -14.633 24.516 4.534 1.00 0.00 O ATOM 291 CB PRO A 19 -14.687 26.162 1.612 1.00 0.00 C ATOM 292 CG PRO A 19 -15.807 26.020 0.640 1.00 0.00 C ATOM 293 CD PRO A 19 -15.652 24.655 0.027 1.00 0.00 C ATOM 0 HA PRO A 19 -13.418 24.534 2.397 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -14.944 26.855 2.413 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.791 26.551 1.129 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -16.771 26.117 1.139 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.763 26.798 -0.123 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -16.617 24.213 -0.220 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.073 24.692 -0.896 1.00 0.00 H new ATOM 301 N ASN A 20 -16.541 24.405 3.347 1.00 0.00 N ATOM 302 CA ASN A 20 -17.387 24.205 4.518 1.00 0.00 C ATOM 303 C ASN A 20 -17.137 22.835 5.142 1.00 0.00 C ATOM 304 O ASN A 20 -17.454 22.606 6.308 1.00 0.00 O ATOM 305 CB ASN A 20 -18.862 24.343 4.137 1.00 0.00 C ATOM 306 CG ASN A 20 -19.417 25.717 4.459 1.00 0.00 C ATOM 307 OD1 ASN A 20 -20.211 25.876 5.386 1.00 0.00 O ATOM 308 ND2 ASN A 20 -19.000 26.718 3.692 1.00 0.00 N ATOM 0 H ASN A 20 -17.046 24.426 2.461 1.00 0.00 H new ATOM 0 HA ASN A 20 -17.135 24.970 5.252 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -18.979 24.148 3.071 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -19.443 23.587 4.665 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -19.339 27.665 3.861 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -18.341 26.540 2.934 1.00 0.00 H new ATOM 315 N GLY A 21 -16.565 21.929 4.356 1.00 0.00 N ATOM 316 CA GLY A 21 -16.281 20.593 4.848 1.00 0.00 C ATOM 317 C GLY A 21 -17.538 19.836 5.226 1.00 0.00 C ATOM 318 O GLY A 21 -18.619 20.410 5.359 1.00 0.00 O ATOM 0 H GLY A 21 -16.293 22.096 3.387 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -15.740 20.035 4.084 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -15.626 20.660 5.717 1.00 0.00 H new ATOM 322 N PRO A 22 -17.406 18.513 5.405 1.00 0.00 N ATOM 323 CA PRO A 22 -18.530 17.647 5.772 1.00 0.00 C ATOM 324 C PRO A 22 -19.009 17.891 7.199 1.00 0.00 C ATOM 325 O PRO A 22 -20.090 17.447 7.585 1.00 0.00 O ATOM 326 CB PRO A 22 -17.951 16.237 5.636 1.00 0.00 C ATOM 327 CG PRO A 22 -16.484 16.409 5.830 1.00 0.00 C ATOM 328 CD PRO A 22 -16.148 17.761 5.264 1.00 0.00 C ATOM 0 HA PRO A 22 -19.403 17.826 5.145 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -18.372 15.563 6.381 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -18.174 15.810 4.658 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -16.220 16.351 6.886 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -15.928 15.623 5.319 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -15.333 18.235 5.812 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -15.835 17.694 4.222 1.00 0.00 H new ATOM 336 N ARG A 23 -18.197 18.599 7.977 1.00 0.00 N ATOM 337 CA ARG A 23 -18.538 18.902 9.362 1.00 0.00 C ATOM 338 C ARG A 23 -17.969 20.255 9.779 1.00 0.00 C ATOM 339 O ARG A 23 -16.856 20.617 9.398 1.00 0.00 O ATOM 340 CB ARG A 23 -18.010 17.806 10.290 1.00 0.00 C ATOM 341 CG ARG A 23 -18.825 16.524 10.244 1.00 0.00 C ATOM 342 CD ARG A 23 -20.155 16.683 10.965 1.00 0.00 C ATOM 343 NE ARG A 23 -21.200 17.191 10.081 1.00 0.00 N ATOM 344 CZ ARG A 23 -22.475 17.298 10.436 1.00 0.00 C ATOM 345 NH1 ARG A 23 -22.861 16.934 11.651 1.00 0.00 N ATOM 346 NH2 ARG A 23 -23.368 17.769 9.575 1.00 0.00 N ATOM 0 H ARG A 23 -17.299 18.974 7.672 1.00 0.00 H new ATOM 0 HA ARG A 23 -19.624 18.945 9.442 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -16.978 17.580 10.021 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -17.998 18.182 11.313 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -19.004 16.242 9.206 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -18.257 15.714 10.701 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -20.463 15.721 11.374 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -20.031 17.363 11.808 1.00 0.00 H new ATOM 0 HE ARG A 23 -20.936 17.480 9.139 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -22.178 16.571 12.316 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -23.841 17.017 11.921 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -23.075 18.049 8.639 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -24.347 17.851 9.849 1.00 0.00 H new ATOM 360 N LYS A 24 -18.741 20.998 10.564 1.00 0.00 N ATOM 361 CA LYS A 24 -18.315 22.311 11.035 1.00 0.00 C ATOM 362 C LYS A 24 -17.150 22.188 12.012 1.00 0.00 C ATOM 363 O LYS A 24 -17.349 22.124 13.225 1.00 0.00 O ATOM 364 CB LYS A 24 -19.482 23.039 11.706 1.00 0.00 C ATOM 365 CG LYS A 24 -19.337 24.551 11.706 1.00 0.00 C ATOM 366 CD LYS A 24 -20.107 25.185 10.560 1.00 0.00 C ATOM 367 CE LYS A 24 -19.530 26.541 10.183 1.00 0.00 C ATOM 368 NZ LYS A 24 -20.308 27.660 10.783 1.00 0.00 N ATOM 0 H LYS A 24 -19.665 20.714 10.888 1.00 0.00 H new ATOM 0 HA LYS A 24 -17.983 22.888 10.172 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -20.408 22.771 11.196 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -19.573 22.691 12.735 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -19.697 24.952 12.653 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -18.283 24.816 11.628 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -20.082 24.524 9.694 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -21.153 25.300 10.843 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -18.494 26.600 10.515 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -19.523 26.644 9.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -19.884 28.567 10.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -21.291 27.619 10.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -20.293 27.576 11.820 1.00 0.00 H new ATOM 382 N VAL A 25 -15.934 22.155 11.475 1.00 0.00 N ATOM 383 CA VAL A 25 -14.737 22.042 12.300 1.00 0.00 C ATOM 384 C VAL A 25 -13.540 22.698 11.623 1.00 0.00 C ATOM 385 O VAL A 25 -13.603 23.074 10.452 1.00 0.00 O ATOM 386 CB VAL A 25 -14.400 20.569 12.600 1.00 0.00 C ATOM 387 CG1 VAL A 25 -15.566 19.886 13.299 1.00 0.00 C ATOM 388 CG2 VAL A 25 -14.031 19.835 11.320 1.00 0.00 C ATOM 0 H VAL A 25 -15.752 22.205 10.473 1.00 0.00 H new ATOM 0 HA VAL A 25 -14.948 22.557 13.237 1.00 0.00 H new ATOM 0 HB VAL A 25 -13.540 20.540 13.268 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -15.310 18.846 13.503 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -15.778 20.398 14.238 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -16.447 19.923 12.658 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -13.796 18.796 11.551 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -14.870 19.871 10.625 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -13.162 20.311 10.865 1.00 0.00 H new ATOM 398 N LEU A 26 -12.447 22.833 12.367 1.00 0.00 N ATOM 399 CA LEU A 26 -11.232 23.444 11.839 1.00 0.00 C ATOM 400 C LEU A 26 -10.091 23.344 12.846 1.00 0.00 C ATOM 401 O LEU A 26 -10.203 23.819 13.976 1.00 0.00 O ATOM 402 CB LEU A 26 -11.488 24.909 11.484 1.00 0.00 C ATOM 403 CG LEU A 26 -11.527 25.888 12.658 1.00 0.00 C ATOM 404 CD1 LEU A 26 -11.737 27.310 12.161 1.00 0.00 C ATOM 405 CD2 LEU A 26 -12.621 25.497 13.641 1.00 0.00 C ATOM 0 H LEU A 26 -12.378 22.527 13.338 1.00 0.00 H new ATOM 0 HA LEU A 26 -10.944 22.903 10.937 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -10.712 25.235 10.791 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.437 24.973 10.952 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.568 25.844 13.175 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.762 27.992 13.011 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.919 27.588 11.496 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.681 27.370 11.619 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -12.635 26.204 14.470 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -13.587 25.512 13.136 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.426 24.495 14.022 1.00 0.00 H new ATOM 417 N GLY A 27 -8.991 22.726 12.427 1.00 0.00 N ATOM 418 CA GLY A 27 -7.844 22.578 13.303 1.00 0.00 C ATOM 419 C GLY A 27 -6.722 21.786 12.661 1.00 0.00 C ATOM 420 O GLY A 27 -6.420 21.968 11.482 1.00 0.00 O ATOM 0 H GLY A 27 -8.874 22.325 11.496 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.474 23.565 13.582 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.155 22.082 14.223 1.00 0.00 H new ATOM 424 N VAL A 28 -6.101 20.905 13.439 1.00 0.00 N ATOM 425 CA VAL A 28 -5.006 20.082 12.939 1.00 0.00 C ATOM 426 C VAL A 28 -5.027 18.695 13.572 1.00 0.00 C ATOM 427 O VAL A 28 -5.487 18.523 14.701 1.00 0.00 O ATOM 428 CB VAL A 28 -3.640 20.739 13.215 1.00 0.00 C ATOM 429 CG1 VAL A 28 -2.561 20.113 12.344 1.00 0.00 C ATOM 430 CG2 VAL A 28 -3.716 22.241 12.987 1.00 0.00 C ATOM 0 H VAL A 28 -6.338 20.743 14.418 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.146 19.989 11.862 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.377 20.566 14.258 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.603 20.590 12.553 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.491 19.047 12.561 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.815 20.253 11.293 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.743 22.689 13.187 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.001 22.438 11.954 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.459 22.674 13.657 1.00 0.00 H new ATOM 440 N PHE A 29 -4.526 17.708 12.836 1.00 0.00 N ATOM 441 CA PHE A 29 -4.488 16.335 13.325 1.00 0.00 C ATOM 442 C PHE A 29 -3.129 15.698 13.052 1.00 0.00 C ATOM 443 O PHE A 29 -2.499 15.970 12.030 1.00 0.00 O ATOM 444 CB PHE A 29 -5.593 15.506 12.667 1.00 0.00 C ATOM 445 CG PHE A 29 -6.895 15.541 13.416 1.00 0.00 C ATOM 446 CD1 PHE A 29 -7.691 16.675 13.395 1.00 0.00 C ATOM 447 CD2 PHE A 29 -7.322 14.440 14.140 1.00 0.00 C ATOM 448 CE1 PHE A 29 -8.890 16.710 14.083 1.00 0.00 C ATOM 449 CE2 PHE A 29 -8.520 14.469 14.829 1.00 0.00 C ATOM 450 CZ PHE A 29 -9.304 15.606 14.802 1.00 0.00 C ATOM 0 H PHE A 29 -4.141 17.834 11.900 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.651 16.355 14.403 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.756 15.872 11.653 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.259 14.472 12.583 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.371 17.541 12.835 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -6.712 13.549 14.166 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.502 17.600 14.058 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.843 13.603 15.388 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.239 15.632 15.342 1.00 0.00 H new ATOM 460 N GLN A 30 -2.683 14.849 13.973 1.00 0.00 N ATOM 461 CA GLN A 30 -1.398 14.175 13.832 1.00 0.00 C ATOM 462 C GLN A 30 -1.590 12.676 13.623 1.00 0.00 C ATOM 463 O GLN A 30 -1.851 11.935 14.572 1.00 0.00 O ATOM 464 CB GLN A 30 -0.530 14.423 15.067 1.00 0.00 C ATOM 465 CG GLN A 30 0.938 14.090 14.855 1.00 0.00 C ATOM 466 CD GLN A 30 1.484 14.656 13.559 1.00 0.00 C ATOM 467 OE1 GLN A 30 1.181 15.790 13.187 1.00 0.00 O ATOM 468 NE2 GLN A 30 2.293 13.867 12.863 1.00 0.00 N ATOM 0 H GLN A 30 -3.193 14.612 14.824 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.895 14.584 12.956 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.618 15.470 15.359 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.913 13.828 15.896 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.519 14.480 15.691 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.065 13.007 14.856 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.517 12.934 13.209 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.690 14.194 11.982 1.00 0.00 H new ATOM 477 N LEU A 31 -1.460 12.236 12.376 1.00 0.00 N ATOM 478 CA LEU A 31 -1.619 10.825 12.042 1.00 0.00 C ATOM 479 C LEU A 31 -0.264 10.131 11.951 1.00 0.00 C ATOM 480 O LEU A 31 0.729 10.736 11.551 1.00 0.00 O ATOM 481 CB LEU A 31 -2.372 10.676 10.719 1.00 0.00 C ATOM 482 CG LEU A 31 -1.576 11.002 9.454 1.00 0.00 C ATOM 483 CD1 LEU A 31 -0.937 9.745 8.886 1.00 0.00 C ATOM 484 CD2 LEU A 31 -2.472 11.663 8.417 1.00 0.00 C ATOM 0 H LEU A 31 -1.245 12.836 11.580 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.196 10.351 12.836 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.733 9.650 10.643 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.250 11.322 10.749 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.782 11.700 9.717 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.375 9.997 7.987 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.263 9.313 9.626 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.714 9.022 8.638 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.890 11.888 7.524 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.288 10.988 8.158 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.881 12.587 8.826 1.00 0.00 H new ATOM 496 N ASN A 32 -0.232 8.855 12.324 1.00 0.00 N ATOM 497 CA ASN A 32 1.001 8.078 12.283 1.00 0.00 C ATOM 498 C ASN A 32 0.784 6.752 11.558 1.00 0.00 C ATOM 499 O ASN A 32 -0.158 6.018 11.857 1.00 0.00 O ATOM 500 CB ASN A 32 1.513 7.819 13.701 1.00 0.00 C ATOM 501 CG ASN A 32 1.351 9.027 14.604 1.00 0.00 C ATOM 502 OD1 ASN A 32 1.433 10.169 14.151 1.00 0.00 O ATOM 503 ND2 ASN A 32 1.121 8.779 15.888 1.00 0.00 N ATOM 0 H ASN A 32 -1.046 8.338 12.658 1.00 0.00 H new ATOM 0 HA ASN A 32 1.746 8.654 11.735 1.00 0.00 H new ATOM 0 HB2 ASN A 32 0.975 6.974 14.130 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.566 7.539 13.659 1.00 0.00 H new ATOM 0 HD21 ASN A 32 1.004 9.552 16.544 1.00 0.00 H new ATOM 0 HD22 ASN A 32 1.061 7.816 16.219 1.00 0.00 H new ATOM 510 N ILE A 33 1.662 6.454 10.607 1.00 0.00 N ATOM 511 CA ILE A 33 1.567 5.217 9.842 1.00 0.00 C ATOM 512 C ILE A 33 2.407 4.113 10.475 1.00 0.00 C ATOM 513 O ILE A 33 3.630 4.092 10.339 1.00 0.00 O ATOM 514 CB ILE A 33 2.022 5.420 8.384 1.00 0.00 C ATOM 515 CG1 ILE A 33 1.561 6.785 7.869 1.00 0.00 C ATOM 516 CG2 ILE A 33 1.484 4.305 7.501 1.00 0.00 C ATOM 517 CD1 ILE A 33 0.057 6.918 7.772 1.00 0.00 C ATOM 0 H ILE A 33 2.447 7.052 10.348 1.00 0.00 H new ATOM 0 HA ILE A 33 0.518 4.922 9.849 1.00 0.00 H new ATOM 0 HB ILE A 33 3.111 5.389 8.351 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.944 7.562 8.530 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.997 6.959 6.885 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.814 4.463 6.474 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.857 3.345 7.859 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.395 4.307 7.536 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.197 7.911 7.400 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.332 6.164 7.088 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.385 6.776 8.758 1.00 0.00 H new ATOM 529 N LYS A 34 1.741 3.195 11.168 1.00 0.00 N ATOM 530 CA LYS A 34 2.424 2.084 11.821 1.00 0.00 C ATOM 531 C LYS A 34 2.873 1.045 10.799 1.00 0.00 C ATOM 532 O LYS A 34 2.067 0.256 10.305 1.00 0.00 O ATOM 533 CB LYS A 34 1.506 1.432 12.857 1.00 0.00 C ATOM 534 CG LYS A 34 1.937 0.032 13.256 1.00 0.00 C ATOM 535 CD LYS A 34 1.649 -0.244 14.723 1.00 0.00 C ATOM 536 CE LYS A 34 2.879 -0.011 15.586 1.00 0.00 C ATOM 537 NZ LYS A 34 2.516 0.374 16.978 1.00 0.00 N ATOM 0 H LYS A 34 0.729 3.199 11.292 1.00 0.00 H new ATOM 0 HA LYS A 34 3.307 2.478 12.324 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.473 2.060 13.747 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.493 1.391 12.458 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.416 -0.700 12.638 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.003 -0.090 13.064 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.838 0.400 15.063 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.310 -1.273 14.841 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.485 -0.917 15.606 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.492 0.773 15.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.382 0.524 17.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.959 1.252 16.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.953 -0.385 17.412 1.00 0.00 H new ATOM 551 N THR A 35 4.165 1.049 10.486 1.00 0.00 N ATOM 552 CA THR A 35 4.722 0.107 9.523 1.00 0.00 C ATOM 553 C THR A 35 5.844 -0.716 10.145 1.00 0.00 C ATOM 554 O THR A 35 6.339 -0.393 11.224 1.00 0.00 O ATOM 555 CB THR A 35 5.262 0.831 8.276 1.00 0.00 C ATOM 556 OG1 THR A 35 5.765 -0.123 7.335 1.00 0.00 O ATOM 557 CG2 THR A 35 6.364 1.809 8.653 1.00 0.00 C ATOM 0 H THR A 35 4.846 1.695 10.886 1.00 0.00 H new ATOM 0 HA THR A 35 3.910 -0.557 9.225 1.00 0.00 H new ATOM 0 HB THR A 35 4.442 1.389 7.824 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.105 0.345 6.544 1.00 0.00 H new ATOM 0 HG21 THR A 35 6.730 2.308 7.756 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.970 2.552 9.347 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.183 1.269 9.127 1.00 0.00 H new ATOM 565 N ALA A 36 6.243 -1.781 9.456 1.00 0.00 N ATOM 566 CA ALA A 36 7.309 -2.648 9.940 1.00 0.00 C ATOM 567 C ALA A 36 8.624 -1.885 10.065 1.00 0.00 C ATOM 568 O ALA A 36 9.435 -2.166 10.947 1.00 0.00 O ATOM 569 CB ALA A 36 7.477 -3.844 9.015 1.00 0.00 C ATOM 0 H ALA A 36 5.843 -2.063 8.561 1.00 0.00 H new ATOM 0 HA ALA A 36 7.031 -3.005 10.932 1.00 0.00 H new ATOM 0 HB1 ALA A 36 8.277 -4.483 9.389 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.546 -4.410 8.980 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.728 -3.496 8.013 1.00 0.00 H new ATOM 575 N SER A 37 8.828 -0.918 9.176 1.00 0.00 N ATOM 576 CA SER A 37 10.046 -0.117 9.184 1.00 0.00 C ATOM 577 C SER A 37 10.046 0.861 10.355 1.00 0.00 C ATOM 578 O SER A 37 11.089 1.389 10.738 1.00 0.00 O ATOM 579 CB SER A 37 10.188 0.648 7.867 1.00 0.00 C ATOM 580 OG SER A 37 10.336 -0.242 6.774 1.00 0.00 O ATOM 0 H SER A 37 8.165 -0.670 8.441 1.00 0.00 H new ATOM 0 HA SER A 37 10.894 -0.793 9.297 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.311 1.277 7.712 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.051 1.311 7.919 1.00 0.00 H new ATOM 0 HG SER A 37 10.423 0.271 5.944 1.00 0.00 H new ATOM 586 N GLY A 38 8.866 1.097 10.921 1.00 0.00 N ATOM 587 CA GLY A 38 8.750 2.011 12.042 1.00 0.00 C ATOM 588 C GLY A 38 7.403 2.704 12.089 1.00 0.00 C ATOM 589 O GLY A 38 6.359 2.051 12.078 1.00 0.00 O ATOM 0 H GLY A 38 7.988 0.671 10.623 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.905 1.463 12.971 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.539 2.761 11.978 1.00 0.00 H new ATOM 593 N VAL A 39 7.424 4.032 12.141 1.00 0.00 N ATOM 594 CA VAL A 39 6.195 4.815 12.191 1.00 0.00 C ATOM 595 C VAL A 39 6.361 6.145 11.464 1.00 0.00 C ATOM 596 O VAL A 39 7.136 7.002 11.888 1.00 0.00 O ATOM 597 CB VAL A 39 5.760 5.087 13.643 1.00 0.00 C ATOM 598 CG1 VAL A 39 4.757 6.229 13.695 1.00 0.00 C ATOM 599 CG2 VAL A 39 5.181 3.828 14.270 1.00 0.00 C ATOM 0 H VAL A 39 8.279 4.588 12.150 1.00 0.00 H new ATOM 0 HA VAL A 39 5.424 4.226 11.694 1.00 0.00 H new ATOM 0 HB VAL A 39 6.638 5.381 14.218 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.461 6.407 14.729 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.212 7.132 13.288 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.878 5.968 13.106 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.879 4.038 15.296 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.314 3.501 13.696 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.935 3.041 14.268 1.00 0.00 H new ATOM 609 N GLU A 40 5.628 6.310 10.368 1.00 0.00 N ATOM 610 CA GLU A 40 5.694 7.537 9.582 1.00 0.00 C ATOM 611 C GLU A 40 4.681 8.561 10.085 1.00 0.00 C ATOM 612 O GLU A 40 3.473 8.377 9.938 1.00 0.00 O ATOM 613 CB GLU A 40 5.441 7.236 8.103 1.00 0.00 C ATOM 614 CG GLU A 40 6.707 6.941 7.317 1.00 0.00 C ATOM 615 CD GLU A 40 6.481 5.937 6.203 1.00 0.00 C ATOM 616 OE1 GLU A 40 6.141 4.776 6.512 1.00 0.00 O ATOM 617 OE2 GLU A 40 6.645 6.312 5.023 1.00 0.00 O ATOM 0 H GLU A 40 4.982 5.610 10.004 1.00 0.00 H new ATOM 0 HA GLU A 40 6.694 7.956 9.694 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.768 6.383 8.025 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.932 8.087 7.650 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.091 7.869 6.893 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.471 6.560 7.995 1.00 0.00 H new ATOM 624 N GLN A 41 5.183 9.639 10.679 1.00 0.00 N ATOM 625 CA GLN A 41 4.322 10.691 11.205 1.00 0.00 C ATOM 626 C GLN A 41 3.978 11.707 10.120 1.00 0.00 C ATOM 627 O GLN A 41 4.849 12.143 9.367 1.00 0.00 O ATOM 628 CB GLN A 41 5.000 11.394 12.382 1.00 0.00 C ATOM 629 CG GLN A 41 5.757 10.449 13.301 1.00 0.00 C ATOM 630 CD GLN A 41 5.311 10.557 14.745 1.00 0.00 C ATOM 631 OE1 GLN A 41 4.188 9.924 15.067 1.00 0.00 O flip ATOM 632 NE2 GLN A 41 5.966 11.202 15.564 1.00 0.00 N flip ATOM 0 H GLN A 41 6.181 9.806 10.808 1.00 0.00 H new ATOM 0 HA GLN A 41 3.397 10.229 11.551 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.691 12.144 11.997 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.244 11.924 12.962 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.617 9.424 12.957 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.824 10.663 13.237 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.823 11.673 15.274 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.652 11.265 16.532 1.00 0.00 H new ATOM 641 N TRP A 42 2.705 12.078 10.047 1.00 0.00 N ATOM 642 CA TRP A 42 2.247 13.043 9.053 1.00 0.00 C ATOM 643 C TRP A 42 1.382 14.120 9.698 1.00 0.00 C ATOM 644 O TRP A 42 0.660 13.855 10.660 1.00 0.00 O ATOM 645 CB TRP A 42 1.462 12.334 7.949 1.00 0.00 C ATOM 646 CG TRP A 42 2.337 11.650 6.942 1.00 0.00 C ATOM 647 CD1 TRP A 42 2.663 10.325 6.906 1.00 0.00 C ATOM 648 CD2 TRP A 42 2.998 12.259 5.828 1.00 0.00 C ATOM 649 NE1 TRP A 42 3.488 10.072 5.837 1.00 0.00 N ATOM 650 CE2 TRP A 42 3.708 11.242 5.159 1.00 0.00 C ATOM 651 CE3 TRP A 42 3.058 13.563 5.329 1.00 0.00 C ATOM 652 CZ2 TRP A 42 4.468 11.492 4.019 1.00 0.00 C ATOM 653 CZ3 TRP A 42 3.813 13.809 4.198 1.00 0.00 C ATOM 654 CH2 TRP A 42 4.509 12.778 3.552 1.00 0.00 C ATOM 0 H TRP A 42 1.972 11.726 10.663 1.00 0.00 H new ATOM 0 HA TRP A 42 3.124 13.521 8.616 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.797 11.598 8.401 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.831 13.061 7.437 1.00 0.00 H new ATOM 0 HD1 TRP A 42 2.322 9.584 7.614 1.00 0.00 H new ATOM 0 HE1 TRP A 42 3.874 9.161 5.588 1.00 0.00 H new ATOM 0 HE3 TRP A 42 2.524 14.364 5.818 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 5.006 10.699 3.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 3.868 14.813 3.805 1.00 0.00 H new ATOM 0 HH2 TRP A 42 5.089 13.003 2.669 1.00 0.00 H new ATOM 665 N ILE A 43 1.460 15.334 9.164 1.00 0.00 N ATOM 666 CA ILE A 43 0.682 16.450 9.688 1.00 0.00 C ATOM 667 C ILE A 43 -0.419 16.858 8.715 1.00 0.00 C ATOM 668 O ILE A 43 -0.173 17.034 7.521 1.00 0.00 O ATOM 669 CB ILE A 43 1.575 17.671 9.977 1.00 0.00 C ATOM 670 CG1 ILE A 43 2.672 17.303 10.977 1.00 0.00 C ATOM 671 CG2 ILE A 43 0.737 18.827 10.503 1.00 0.00 C ATOM 672 CD1 ILE A 43 4.008 17.943 10.672 1.00 0.00 C ATOM 0 H ILE A 43 2.054 15.570 8.369 1.00 0.00 H new ATOM 0 HA ILE A 43 0.231 16.110 10.621 1.00 0.00 H new ATOM 0 HB ILE A 43 2.049 17.985 9.047 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.356 17.601 11.977 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.792 16.220 10.990 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.382 19.683 10.703 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.011 19.102 9.759 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.239 18.525 11.424 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.737 17.638 11.422 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.347 17.626 9.686 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.904 19.028 10.688 1.00 0.00 H new ATOM 684 N VAL A 44 -1.633 17.008 9.233 1.00 0.00 N ATOM 685 CA VAL A 44 -2.772 17.398 8.411 1.00 0.00 C ATOM 686 C VAL A 44 -3.558 18.530 9.063 1.00 0.00 C ATOM 687 O VAL A 44 -3.769 18.535 10.276 1.00 0.00 O ATOM 688 CB VAL A 44 -3.718 16.208 8.161 1.00 0.00 C ATOM 689 CG1 VAL A 44 -4.692 16.048 9.319 1.00 0.00 C ATOM 690 CG2 VAL A 44 -4.464 16.388 6.847 1.00 0.00 C ATOM 0 H VAL A 44 -1.853 16.865 10.219 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.371 17.740 7.457 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.121 15.299 8.092 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.352 15.203 9.125 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.136 15.871 10.240 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.286 16.956 9.423 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.128 15.538 6.686 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.051 17.305 6.885 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.748 16.449 6.027 1.00 0.00 H new ATOM 700 N ASP A 45 -3.991 19.488 8.249 1.00 0.00 N ATOM 701 CA ASP A 45 -4.755 20.625 8.746 1.00 0.00 C ATOM 702 C ASP A 45 -6.168 20.623 8.171 1.00 0.00 C ATOM 703 O ASP A 45 -6.372 20.312 6.997 1.00 0.00 O ATOM 704 CB ASP A 45 -4.049 21.935 8.393 1.00 0.00 C ATOM 705 CG ASP A 45 -4.286 23.018 9.428 1.00 0.00 C ATOM 706 OD1 ASP A 45 -3.305 23.450 10.070 1.00 0.00 O ATOM 707 OD2 ASP A 45 -5.451 23.434 9.595 1.00 0.00 O ATOM 0 H ASP A 45 -3.825 19.499 7.243 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.823 20.539 9.830 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.978 21.754 8.300 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.399 22.283 7.421 1.00 0.00 H new ATOM 712 N LEU A 46 -7.142 20.972 9.005 1.00 0.00 N ATOM 713 CA LEU A 46 -8.537 21.010 8.580 1.00 0.00 C ATOM 714 C LEU A 46 -8.923 22.406 8.104 1.00 0.00 C ATOM 715 O LEU A 46 -9.580 22.563 7.075 1.00 0.00 O ATOM 716 CB LEU A 46 -9.452 20.578 9.728 1.00 0.00 C ATOM 717 CG LEU A 46 -8.797 19.749 10.833 1.00 0.00 C ATOM 718 CD1 LEU A 46 -9.791 19.467 11.949 1.00 0.00 C ATOM 719 CD2 LEU A 46 -8.243 18.449 10.268 1.00 0.00 C ATOM 0 H LEU A 46 -6.991 21.233 9.980 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.657 20.317 7.747 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.883 21.472 10.179 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.278 20.002 9.311 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.969 20.323 11.249 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.307 18.876 12.727 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.139 20.409 12.373 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.640 18.914 11.548 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.781 17.872 11.069 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.053 17.870 9.825 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.498 18.672 9.505 1.00 0.00 H new ATOM 731 N LYS A 47 -8.509 23.419 8.858 1.00 0.00 N ATOM 732 CA LYS A 47 -8.808 24.803 8.513 1.00 0.00 C ATOM 733 C LYS A 47 -8.586 25.053 7.024 1.00 0.00 C ATOM 734 O LYS A 47 -9.524 25.365 6.292 1.00 0.00 O ATOM 735 CB LYS A 47 -7.938 25.755 9.336 1.00 0.00 C ATOM 736 CG LYS A 47 -7.868 25.395 10.809 1.00 0.00 C ATOM 737 CD LYS A 47 -8.181 26.592 11.692 1.00 0.00 C ATOM 738 CE LYS A 47 -6.912 27.284 12.164 1.00 0.00 C ATOM 739 NZ LYS A 47 -6.429 28.290 11.178 1.00 0.00 N ATOM 0 H LYS A 47 -7.965 23.307 9.713 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.857 24.990 8.742 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.929 25.760 8.924 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -8.328 26.768 9.236 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.572 24.591 11.022 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.873 25.018 11.045 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.799 27.300 11.141 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.762 26.267 12.555 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.099 27.773 13.120 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.134 26.540 12.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.562 28.739 11.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.226 27.819 10.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.161 29.015 11.035 1.00 0.00 H new ATOM 753 N GLN A 48 -7.340 24.911 6.585 1.00 0.00 N ATOM 754 CA GLN A 48 -6.996 25.121 5.183 1.00 0.00 C ATOM 755 C GLN A 48 -6.707 23.794 4.489 1.00 0.00 C ATOM 756 O GLN A 48 -6.850 22.725 5.085 1.00 0.00 O ATOM 757 CB GLN A 48 -5.783 26.045 5.066 1.00 0.00 C ATOM 758 CG GLN A 48 -4.752 25.837 6.163 1.00 0.00 C ATOM 759 CD GLN A 48 -3.502 26.670 5.955 1.00 0.00 C ATOM 760 OE1 GLN A 48 -2.999 26.787 4.838 1.00 0.00 O ATOM 761 NE2 GLN A 48 -2.995 27.256 7.034 1.00 0.00 N ATOM 0 H GLN A 48 -6.552 24.652 7.179 1.00 0.00 H new ATOM 0 HA GLN A 48 -7.849 25.589 4.692 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.308 25.887 4.098 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.122 27.081 5.089 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.196 26.089 7.126 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -4.479 24.783 6.204 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.445 27.132 7.941 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -2.156 27.830 6.956 1.00 0.00 H new ATOM 770 N LEU A 49 -6.301 23.868 3.227 1.00 0.00 N ATOM 771 CA LEU A 49 -5.993 22.672 2.450 1.00 0.00 C ATOM 772 C LEU A 49 -4.487 22.520 2.261 1.00 0.00 C ATOM 773 O LEU A 49 -3.959 22.759 1.175 1.00 0.00 O ATOM 774 CB LEU A 49 -6.686 22.731 1.088 1.00 0.00 C ATOM 775 CG LEU A 49 -8.139 23.209 1.095 1.00 0.00 C ATOM 776 CD1 LEU A 49 -8.916 22.539 2.217 1.00 0.00 C ATOM 777 CD2 LEU A 49 -8.201 24.723 1.231 1.00 0.00 C ATOM 0 H LEU A 49 -6.177 24.744 2.719 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.362 21.806 3.000 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.111 23.390 0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.654 21.737 0.643 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.598 22.930 0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -9.947 22.891 2.206 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.900 21.458 2.076 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.458 22.786 3.175 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -9.242 25.046 1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.725 25.024 2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.680 25.185 0.392 1.00 0.00 H new ATOM 789 N LYS A 50 -3.799 22.118 3.325 1.00 0.00 N ATOM 790 CA LYS A 50 -2.354 21.929 3.276 1.00 0.00 C ATOM 791 C LYS A 50 -1.956 20.606 3.922 1.00 0.00 C ATOM 792 O LYS A 50 -2.729 20.014 4.676 1.00 0.00 O ATOM 793 CB LYS A 50 -1.644 23.087 3.981 1.00 0.00 C ATOM 794 CG LYS A 50 -1.843 23.096 5.487 1.00 0.00 C ATOM 795 CD LYS A 50 -0.716 22.370 6.202 1.00 0.00 C ATOM 796 CE LYS A 50 0.177 23.339 6.963 1.00 0.00 C ATOM 797 NZ LYS A 50 -0.588 24.122 7.972 1.00 0.00 N ATOM 0 H LYS A 50 -4.220 21.917 4.232 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.051 21.908 2.229 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.577 23.034 3.764 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.006 24.029 3.569 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.897 24.125 5.842 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.794 22.624 5.732 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.134 21.639 6.894 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.120 21.817 5.476 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.973 22.785 7.461 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.655 24.021 6.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.030 24.348 8.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.930 25.004 7.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.399 23.562 8.304 1.00 0.00 H new ATOM 811 N VAL A 51 -0.745 20.147 3.623 1.00 0.00 N ATOM 812 CA VAL A 51 -0.244 18.895 4.177 1.00 0.00 C ATOM 813 C VAL A 51 1.257 18.971 4.436 1.00 0.00 C ATOM 814 O VAL A 51 2.008 19.532 3.638 1.00 0.00 O ATOM 815 CB VAL A 51 -0.531 17.710 3.236 1.00 0.00 C ATOM 816 CG1 VAL A 51 0.181 16.457 3.722 1.00 0.00 C ATOM 817 CG2 VAL A 51 -2.030 17.472 3.123 1.00 0.00 C ATOM 0 H VAL A 51 -0.093 20.624 3.000 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.766 18.735 5.120 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.149 17.954 2.245 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.034 15.631 3.045 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.256 16.636 3.747 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.168 16.205 4.723 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.216 16.631 2.454 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.438 17.249 4.109 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.511 18.365 2.725 1.00 0.00 H new ATOM 827 N ASP A 52 1.687 18.403 5.557 1.00 0.00 N ATOM 828 CA ASP A 52 3.099 18.404 5.922 1.00 0.00 C ATOM 829 C ASP A 52 3.512 17.054 6.500 1.00 0.00 C ATOM 830 O ASP A 52 2.669 16.271 6.934 1.00 0.00 O ATOM 831 CB ASP A 52 3.385 19.515 6.934 1.00 0.00 C ATOM 832 CG ASP A 52 2.413 20.672 6.813 1.00 0.00 C ATOM 833 OD1 ASP A 52 1.252 20.520 7.246 1.00 0.00 O ATOM 834 OD2 ASP A 52 2.815 21.731 6.286 1.00 0.00 O ATOM 0 H ASP A 52 1.078 17.936 6.229 1.00 0.00 H new ATOM 0 HA ASP A 52 3.682 18.586 5.019 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.334 19.105 7.943 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.401 19.881 6.790 1.00 0.00 H new ATOM 839 N GLN A 53 4.815 16.790 6.500 1.00 0.00 N ATOM 840 CA GLN A 53 5.339 15.534 7.022 1.00 0.00 C ATOM 841 C GLN A 53 6.077 15.757 8.338 1.00 0.00 C ATOM 842 O GLN A 53 6.777 16.755 8.507 1.00 0.00 O ATOM 843 CB GLN A 53 6.276 14.884 6.003 1.00 0.00 C ATOM 844 CG GLN A 53 6.429 13.383 6.187 1.00 0.00 C ATOM 845 CD GLN A 53 7.499 12.791 5.291 1.00 0.00 C ATOM 846 OE1 GLN A 53 7.500 13.193 4.025 1.00 0.00 O flip ATOM 847 NE2 GLN A 53 8.315 11.981 5.731 1.00 0.00 N flip ATOM 0 H GLN A 53 5.526 17.429 6.145 1.00 0.00 H new ATOM 0 HA GLN A 53 4.496 14.868 7.207 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.901 15.082 4.999 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.258 15.352 6.074 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.674 13.172 7.228 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.476 12.896 5.979 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.277 11.700 6.711 1.00 0.00 H new ATOM 0 HE22 GLN A 53 9.029 11.591 5.116 1.00 0.00 H new ATOM 856 N GLY A 54 5.915 14.821 9.269 1.00 0.00 N ATOM 857 CA GLY A 54 6.572 14.935 10.558 1.00 0.00 C ATOM 858 C GLY A 54 5.589 15.146 11.692 1.00 0.00 C ATOM 859 O GLY A 54 4.430 14.741 11.603 1.00 0.00 O ATOM 0 H GLY A 54 5.341 13.986 9.153 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.153 14.032 10.748 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.276 15.767 10.532 1.00 0.00 H new ATOM 863 N VAL A 55 6.053 15.780 12.765 1.00 0.00 N ATOM 864 CA VAL A 55 5.207 16.043 13.922 1.00 0.00 C ATOM 865 C VAL A 55 4.896 17.531 14.049 1.00 0.00 C ATOM 866 O VAL A 55 5.801 18.358 14.162 1.00 0.00 O ATOM 867 CB VAL A 55 5.870 15.556 15.225 1.00 0.00 C ATOM 868 CG1 VAL A 55 5.110 16.073 16.437 1.00 0.00 C ATOM 869 CG2 VAL A 55 5.951 14.037 15.244 1.00 0.00 C ATOM 0 H VAL A 55 7.010 16.121 12.856 1.00 0.00 H new ATOM 0 HA VAL A 55 4.279 15.492 13.767 1.00 0.00 H new ATOM 0 HB VAL A 55 6.884 15.952 15.267 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.593 15.719 17.348 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.108 17.163 16.428 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.083 15.708 16.405 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.422 13.709 16.171 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.947 13.618 15.179 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.543 13.694 14.395 1.00 0.00 H new ATOM 879 N PHE A 56 3.610 17.864 14.030 1.00 0.00 N ATOM 880 CA PHE A 56 3.178 19.253 14.142 1.00 0.00 C ATOM 881 C PHE A 56 3.705 19.884 15.427 1.00 0.00 C ATOM 882 O PHE A 56 3.883 19.204 16.437 1.00 0.00 O ATOM 883 CB PHE A 56 1.651 19.339 14.106 1.00 0.00 C ATOM 884 CG PHE A 56 1.136 20.698 13.727 1.00 0.00 C ATOM 885 CD1 PHE A 56 0.135 21.305 14.468 1.00 0.00 C ATOM 886 CD2 PHE A 56 1.652 21.368 12.630 1.00 0.00 C ATOM 887 CE1 PHE A 56 -0.341 22.556 14.122 1.00 0.00 C ATOM 888 CE2 PHE A 56 1.181 22.619 12.279 1.00 0.00 C ATOM 889 CZ PHE A 56 0.182 23.213 13.026 1.00 0.00 C ATOM 0 H PHE A 56 2.849 17.192 13.938 1.00 0.00 H new ATOM 0 HA PHE A 56 3.585 19.804 13.294 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.270 18.604 13.397 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.257 19.070 15.086 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.278 20.795 15.326 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.432 20.907 12.042 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.121 23.019 14.708 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.593 23.131 11.422 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.189 24.190 12.753 1.00 0.00 H new ATOM 899 N ALA A 57 3.953 21.189 15.380 1.00 0.00 N ATOM 900 CA ALA A 57 4.458 21.912 16.540 1.00 0.00 C ATOM 901 C ALA A 57 3.506 21.784 17.725 1.00 0.00 C ATOM 902 O ALA A 57 3.925 21.845 18.880 1.00 0.00 O ATOM 903 CB ALA A 57 4.677 23.378 16.194 1.00 0.00 C ATOM 0 H ALA A 57 3.812 21.767 14.551 1.00 0.00 H new ATOM 0 HA ALA A 57 5.413 21.470 16.825 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.054 23.906 17.070 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.401 23.456 15.383 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.732 23.823 15.881 1.00 0.00 H new ATOM 909 N SER A 58 2.222 21.605 17.429 1.00 0.00 N ATOM 910 CA SER A 58 1.209 21.472 18.470 1.00 0.00 C ATOM 911 C SER A 58 -0.121 21.015 17.879 1.00 0.00 C ATOM 912 O SER A 58 -1.068 21.790 17.742 1.00 0.00 O ATOM 913 CB SER A 58 1.024 22.802 19.204 1.00 0.00 C ATOM 914 OG SER A 58 0.403 22.608 20.463 1.00 0.00 O ATOM 0 H SER A 58 1.859 21.549 16.477 1.00 0.00 H new ATOM 0 HA SER A 58 1.549 20.718 19.179 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.993 23.282 19.343 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.419 23.475 18.597 1.00 0.00 H new ATOM 0 HG SER A 58 0.298 23.472 20.912 1.00 0.00 H new ATOM 920 N PRO A 59 -0.195 19.725 17.520 1.00 0.00 N ATOM 921 CA PRO A 59 -1.404 19.134 16.938 1.00 0.00 C ATOM 922 C PRO A 59 -2.538 19.019 17.951 1.00 0.00 C ATOM 923 O PRO A 59 -2.302 18.957 19.157 1.00 0.00 O ATOM 924 CB PRO A 59 -0.941 17.744 16.494 1.00 0.00 C ATOM 925 CG PRO A 59 0.217 17.431 17.377 1.00 0.00 C ATOM 926 CD PRO A 59 0.895 18.744 17.654 1.00 0.00 C ATOM 0 HA PRO A 59 -1.806 19.743 16.129 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -1.736 17.007 16.607 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -0.650 17.740 15.443 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.114 16.960 18.303 1.00 0.00 H new ATOM 0 HG3 PRO A 59 0.900 16.734 16.892 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.336 18.766 18.651 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.700 18.938 16.945 1.00 0.00 H new ATOM 934 N ASP A 60 -3.769 18.990 17.452 1.00 0.00 N ATOM 935 CA ASP A 60 -4.940 18.880 18.314 1.00 0.00 C ATOM 936 C ASP A 60 -5.070 17.469 18.878 1.00 0.00 C ATOM 937 O ASP A 60 -5.349 17.286 20.063 1.00 0.00 O ATOM 938 CB ASP A 60 -6.206 19.251 17.540 1.00 0.00 C ATOM 939 CG ASP A 60 -7.084 20.226 18.298 1.00 0.00 C ATOM 940 OD1 ASP A 60 -7.669 21.123 17.655 1.00 0.00 O ATOM 941 OD2 ASP A 60 -7.187 20.093 19.535 1.00 0.00 O ATOM 0 H ASP A 60 -3.982 19.041 16.456 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.814 19.574 19.145 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.927 19.688 16.581 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.775 18.346 17.325 1.00 0.00 H new ATOM 946 N VAL A 61 -4.865 16.473 18.022 1.00 0.00 N ATOM 947 CA VAL A 61 -4.959 15.078 18.435 1.00 0.00 C ATOM 948 C VAL A 61 -3.989 14.205 17.645 1.00 0.00 C ATOM 949 O VAL A 61 -3.675 14.494 16.490 1.00 0.00 O ATOM 950 CB VAL A 61 -6.388 14.533 18.252 1.00 0.00 C ATOM 951 CG1 VAL A 61 -6.632 13.353 19.181 1.00 0.00 C ATOM 952 CG2 VAL A 61 -7.411 15.632 18.493 1.00 0.00 C ATOM 0 H VAL A 61 -4.633 16.606 17.038 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.698 15.043 19.493 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.497 14.185 17.225 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.647 12.981 19.038 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.919 12.559 18.956 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.505 13.672 20.216 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.415 15.230 18.360 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.304 16.012 19.509 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.248 16.443 17.783 1.00 0.00 H new ATOM 962 N THR A 62 -3.518 13.134 18.276 1.00 0.00 N ATOM 963 CA THR A 62 -2.583 12.218 17.634 1.00 0.00 C ATOM 964 C THR A 62 -3.230 10.862 17.379 1.00 0.00 C ATOM 965 O THR A 62 -3.321 10.027 18.279 1.00 0.00 O ATOM 966 CB THR A 62 -1.317 12.018 18.487 1.00 0.00 C ATOM 967 OG1 THR A 62 -0.879 13.274 19.016 1.00 0.00 O ATOM 968 CG2 THR A 62 -0.202 11.393 17.662 1.00 0.00 C ATOM 0 H THR A 62 -3.769 12.879 19.231 1.00 0.00 H new ATOM 0 HA THR A 62 -2.303 12.669 16.682 1.00 0.00 H new ATOM 0 HB THR A 62 -1.562 11.344 19.308 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.074 13.138 19.559 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.682 11.261 18.286 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.528 10.424 17.285 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.040 12.046 16.823 1.00 0.00 H new ATOM 976 N VAL A 63 -3.679 10.647 16.146 1.00 0.00 N ATOM 977 CA VAL A 63 -4.317 9.390 15.773 1.00 0.00 C ATOM 978 C VAL A 63 -3.305 8.417 15.177 1.00 0.00 C ATOM 979 O VAL A 63 -2.347 8.824 14.520 1.00 0.00 O ATOM 980 CB VAL A 63 -5.453 9.617 14.758 1.00 0.00 C ATOM 981 CG1 VAL A 63 -4.891 9.768 13.352 1.00 0.00 C ATOM 982 CG2 VAL A 63 -6.458 8.477 14.820 1.00 0.00 C ATOM 0 H VAL A 63 -3.613 11.327 15.389 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.735 8.963 16.685 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.970 10.541 15.018 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.708 9.928 12.649 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.213 10.621 13.321 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.348 8.863 13.078 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.254 8.654 14.096 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.957 7.537 14.586 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.884 8.422 15.822 1.00 0.00 H new ATOM 992 N THR A 64 -3.525 7.127 15.412 1.00 0.00 N ATOM 993 CA THR A 64 -2.633 6.095 14.900 1.00 0.00 C ATOM 994 C THR A 64 -3.396 5.075 14.061 1.00 0.00 C ATOM 995 O THR A 64 -4.482 4.635 14.438 1.00 0.00 O ATOM 996 CB THR A 64 -1.907 5.361 16.044 1.00 0.00 C ATOM 997 OG1 THR A 64 -2.030 6.107 17.259 1.00 0.00 O ATOM 998 CG2 THR A 64 -0.436 5.162 15.711 1.00 0.00 C ATOM 0 H THR A 64 -4.313 6.773 15.954 1.00 0.00 H new ATOM 0 HA THR A 64 -1.895 6.597 14.274 1.00 0.00 H new ATOM 0 HB THR A 64 -2.370 4.382 16.171 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.174 5.491 18.008 1.00 0.00 H new ATOM 0 HG21 THR A 64 0.056 4.642 16.533 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.346 4.569 14.801 1.00 0.00 H new ATOM 0 HG23 THR A 64 0.037 6.132 15.560 1.00 0.00 H new ATOM 1006 N VAL A 65 -2.820 4.703 12.922 1.00 0.00 N ATOM 1007 CA VAL A 65 -3.446 3.734 12.030 1.00 0.00 C ATOM 1008 C VAL A 65 -2.399 2.969 11.229 1.00 0.00 C ATOM 1009 O VAL A 65 -1.327 3.493 10.928 1.00 0.00 O ATOM 1010 CB VAL A 65 -4.424 4.417 11.056 1.00 0.00 C ATOM 1011 CG1 VAL A 65 -3.738 5.560 10.324 1.00 0.00 C ATOM 1012 CG2 VAL A 65 -4.989 3.405 10.072 1.00 0.00 C ATOM 0 H VAL A 65 -1.921 5.058 12.595 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.000 3.037 12.659 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.252 4.831 11.631 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.445 6.030 9.640 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.387 6.297 11.047 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.890 5.173 9.759 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.678 3.905 9.391 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.175 2.959 9.501 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.520 2.625 10.617 1.00 0.00 H new ATOM 1022 N GLY A 66 -2.717 1.725 10.884 1.00 0.00 N ATOM 1023 CA GLY A 66 -1.794 0.907 10.120 1.00 0.00 C ATOM 1024 C GLY A 66 -1.649 1.381 8.687 1.00 0.00 C ATOM 1025 O GLY A 66 -2.584 1.941 8.113 1.00 0.00 O ATOM 0 H GLY A 66 -3.598 1.269 11.120 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.817 0.918 10.604 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.140 -0.127 10.124 1.00 0.00 H new ATOM 1029 N LEU A 67 -0.474 1.159 8.108 1.00 0.00 N ATOM 1030 CA LEU A 67 -0.209 1.568 6.734 1.00 0.00 C ATOM 1031 C LEU A 67 -1.086 0.793 5.756 1.00 0.00 C ATOM 1032 O LEU A 67 -1.504 1.324 4.727 1.00 0.00 O ATOM 1033 CB LEU A 67 1.267 1.355 6.393 1.00 0.00 C ATOM 1034 CG LEU A 67 1.689 -0.088 6.115 1.00 0.00 C ATOM 1035 CD1 LEU A 67 3.063 -0.126 5.464 1.00 0.00 C ATOM 1036 CD2 LEU A 67 1.683 -0.903 7.400 1.00 0.00 C ATOM 0 H LEU A 67 0.310 0.698 8.569 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.447 2.628 6.645 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.508 1.958 5.518 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.869 1.736 7.218 1.00 0.00 H new ATOM 0 HG LEU A 67 0.970 -0.530 5.425 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.347 -1.161 5.274 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.035 0.422 4.522 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.794 0.334 6.129 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.986 -1.927 7.183 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.379 -0.462 8.114 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.679 -0.904 7.826 1.00 0.00 H new ATOM 1048 N GLU A 68 -1.363 -0.464 6.085 1.00 0.00 N ATOM 1049 CA GLU A 68 -2.192 -1.312 5.236 1.00 0.00 C ATOM 1050 C GLU A 68 -3.586 -0.715 5.068 1.00 0.00 C ATOM 1051 O GLU A 68 -4.033 -0.459 3.950 1.00 0.00 O ATOM 1052 CB GLU A 68 -2.295 -2.719 5.827 1.00 0.00 C ATOM 1053 CG GLU A 68 -0.965 -3.451 5.892 1.00 0.00 C ATOM 1054 CD GLU A 68 -1.070 -4.893 5.435 1.00 0.00 C ATOM 1055 OE1 GLU A 68 -0.555 -5.208 4.342 1.00 0.00 O ATOM 1056 OE2 GLU A 68 -1.668 -5.707 6.170 1.00 0.00 O ATOM 0 H GLU A 68 -1.026 -0.918 6.934 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.721 -1.372 4.255 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.713 -2.652 6.832 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.994 -3.305 5.229 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.237 -2.929 5.271 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.589 -3.424 6.915 1.00 0.00 H new ATOM 1063 N ASP A 69 -4.268 -0.497 6.187 1.00 0.00 N ATOM 1064 CA ASP A 69 -5.612 0.070 6.165 1.00 0.00 C ATOM 1065 C ASP A 69 -5.615 1.434 5.481 1.00 0.00 C ATOM 1066 O ASP A 69 -6.427 1.692 4.593 1.00 0.00 O ATOM 1067 CB ASP A 69 -6.158 0.197 7.588 1.00 0.00 C ATOM 1068 CG ASP A 69 -5.849 -1.019 8.437 1.00 0.00 C ATOM 1069 OD1 ASP A 69 -4.966 -0.921 9.316 1.00 0.00 O ATOM 1070 OD2 ASP A 69 -6.489 -2.070 8.225 1.00 0.00 O ATOM 0 H ASP A 69 -3.913 -0.704 7.120 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.255 -0.602 5.597 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.733 1.083 8.059 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.237 0.344 7.548 1.00 0.00 H new ATOM 1075 N MET A 70 -4.703 2.304 5.903 1.00 0.00 N ATOM 1076 CA MET A 70 -4.601 3.641 5.331 1.00 0.00 C ATOM 1077 C MET A 70 -4.519 3.577 3.809 1.00 0.00 C ATOM 1078 O MET A 70 -5.141 4.377 3.110 1.00 0.00 O ATOM 1079 CB MET A 70 -3.375 4.366 5.890 1.00 0.00 C ATOM 1080 CG MET A 70 -3.663 5.160 7.154 1.00 0.00 C ATOM 1081 SD MET A 70 -3.344 6.924 6.954 1.00 0.00 S ATOM 1082 CE MET A 70 -4.911 7.477 6.284 1.00 0.00 C ATOM 0 H MET A 70 -4.025 2.107 6.639 1.00 0.00 H new ATOM 0 HA MET A 70 -5.498 4.196 5.605 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.595 3.634 6.100 1.00 0.00 H new ATOM 0 HB3 MET A 70 -2.983 5.040 5.128 1.00 0.00 H new ATOM 0 HG2 MET A 70 -4.704 5.013 7.441 1.00 0.00 H new ATOM 0 HG3 MET A 70 -3.050 4.774 7.969 1.00 0.00 H new ATOM 0 HE1 MET A 70 -4.872 8.552 6.106 1.00 0.00 H new ATOM 0 HE2 MET A 70 -5.108 6.960 5.345 1.00 0.00 H new ATOM 0 HE3 MET A 70 -5.708 7.256 6.994 1.00 0.00 H new ATOM 1092 N LEU A 71 -3.747 2.622 3.303 1.00 0.00 N ATOM 1093 CA LEU A 71 -3.583 2.454 1.863 1.00 0.00 C ATOM 1094 C LEU A 71 -4.906 2.078 1.205 1.00 0.00 C ATOM 1095 O LEU A 71 -5.233 2.567 0.124 1.00 0.00 O ATOM 1096 CB LEU A 71 -2.532 1.381 1.572 1.00 0.00 C ATOM 1097 CG LEU A 71 -2.064 1.277 0.120 1.00 0.00 C ATOM 1098 CD1 LEU A 71 -0.645 0.734 0.054 1.00 0.00 C ATOM 1099 CD2 LEU A 71 -3.011 0.398 -0.684 1.00 0.00 C ATOM 0 H LEU A 71 -3.225 1.952 3.868 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.249 3.404 1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.662 1.573 2.200 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.936 0.414 1.873 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.069 2.276 -0.316 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.329 0.667 -0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.026 1.402 0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.613 -0.257 0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.662 0.335 -1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.038 -0.601 -0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.012 0.829 -0.665 1.00 0.00 H new ATOM 1111 N ALA A 72 -5.664 1.209 1.865 1.00 0.00 N ATOM 1112 CA ALA A 72 -6.954 0.771 1.346 1.00 0.00 C ATOM 1113 C ALA A 72 -7.924 1.942 1.228 1.00 0.00 C ATOM 1114 O ALA A 72 -8.621 2.082 0.223 1.00 0.00 O ATOM 1115 CB ALA A 72 -7.540 -0.315 2.236 1.00 0.00 C ATOM 0 H ALA A 72 -5.407 0.794 2.761 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.797 0.361 0.348 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.503 -0.632 1.836 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.861 -1.167 2.266 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.676 0.075 3.244 1.00 0.00 H new ATOM 1121 N ILE A 73 -7.963 2.778 2.259 1.00 0.00 N ATOM 1122 CA ILE A 73 -8.848 3.936 2.270 1.00 0.00 C ATOM 1123 C ILE A 73 -8.323 5.037 1.355 1.00 0.00 C ATOM 1124 O ILE A 73 -8.976 5.412 0.381 1.00 0.00 O ATOM 1125 CB ILE A 73 -9.017 4.503 3.692 1.00 0.00 C ATOM 1126 CG1 ILE A 73 -9.273 3.371 4.689 1.00 0.00 C ATOM 1127 CG2 ILE A 73 -10.152 5.514 3.728 1.00 0.00 C ATOM 1128 CD1 ILE A 73 -9.367 3.839 6.124 1.00 0.00 C ATOM 0 H ILE A 73 -7.392 2.675 3.098 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.818 3.595 1.906 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.095 5.011 3.976 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.199 2.863 4.420 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.471 2.637 4.607 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -10.259 5.905 4.740 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.932 6.333 3.043 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.081 5.029 3.427 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -9.549 2.984 6.774 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.433 4.321 6.412 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -10.187 4.550 6.222 1.00 0.00 H new ATOM 1140 N SER A 74 -7.139 5.550 1.674 1.00 0.00 N ATOM 1141 CA SER A 74 -6.527 6.610 0.882 1.00 0.00 C ATOM 1142 C SER A 74 -6.399 6.191 -0.580 1.00 0.00 C ATOM 1143 O SER A 74 -6.343 7.032 -1.476 1.00 0.00 O ATOM 1144 CB SER A 74 -5.149 6.964 1.444 1.00 0.00 C ATOM 1145 OG SER A 74 -4.402 7.733 0.517 1.00 0.00 O ATOM 0 H SER A 74 -6.585 5.249 2.475 1.00 0.00 H new ATOM 0 HA SER A 74 -7.171 7.488 0.936 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.264 7.521 2.374 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.605 6.050 1.685 1.00 0.00 H new ATOM 0 HG SER A 74 -3.797 8.332 1.002 1.00 0.00 H new ATOM 1151 N GLY A 75 -6.355 4.882 -0.813 1.00 0.00 N ATOM 1152 CA GLY A 75 -6.235 4.373 -2.166 1.00 0.00 C ATOM 1153 C GLY A 75 -7.577 4.250 -2.860 1.00 0.00 C ATOM 1154 O GLY A 75 -7.675 3.665 -3.940 1.00 0.00 O ATOM 0 H GLY A 75 -6.400 4.166 -0.088 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.590 5.035 -2.744 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.751 3.397 -2.142 1.00 0.00 H new ATOM 1158 N LYS A 76 -8.615 4.800 -2.240 1.00 0.00 N ATOM 1159 CA LYS A 76 -9.959 4.749 -2.804 1.00 0.00 C ATOM 1160 C LYS A 76 -10.451 3.309 -2.906 1.00 0.00 C ATOM 1161 O LYS A 76 -10.817 2.842 -3.985 1.00 0.00 O ATOM 1162 CB LYS A 76 -9.979 5.405 -4.186 1.00 0.00 C ATOM 1163 CG LYS A 76 -11.307 6.059 -4.529 1.00 0.00 C ATOM 1164 CD LYS A 76 -11.589 5.999 -6.021 1.00 0.00 C ATOM 1165 CE LYS A 76 -11.662 7.390 -6.631 1.00 0.00 C ATOM 1166 NZ LYS A 76 -12.417 7.394 -7.915 1.00 0.00 N ATOM 0 H LYS A 76 -8.552 5.287 -1.346 1.00 0.00 H new ATOM 0 HA LYS A 76 -10.627 5.297 -2.139 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.190 6.156 -4.234 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.749 4.652 -4.940 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -12.110 5.561 -3.986 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.297 7.098 -4.201 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.807 5.424 -6.517 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.529 5.475 -6.194 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -12.140 8.071 -5.927 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.653 7.765 -6.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.444 8.360 -8.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.947 6.764 -8.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.388 7.060 -7.748 1.00 0.00 H new ATOM 1180 N THR A 77 -10.460 2.609 -1.775 1.00 0.00 N ATOM 1181 CA THR A 77 -10.908 1.223 -1.738 1.00 0.00 C ATOM 1182 C THR A 77 -11.763 0.955 -0.504 1.00 0.00 C ATOM 1183 O THR A 77 -12.925 0.563 -0.615 1.00 0.00 O ATOM 1184 CB THR A 77 -9.717 0.247 -1.745 1.00 0.00 C ATOM 1185 OG1 THR A 77 -8.538 0.916 -2.206 1.00 0.00 O ATOM 1186 CG2 THR A 77 -10.005 -0.953 -2.634 1.00 0.00 C ATOM 0 H THR A 77 -10.162 2.980 -0.873 1.00 0.00 H new ATOM 0 HA THR A 77 -11.506 1.060 -2.634 1.00 0.00 H new ATOM 0 HB THR A 77 -9.559 -0.106 -0.726 1.00 0.00 H new ATOM 0 HG1 THR A 77 -8.211 1.521 -1.508 1.00 0.00 H new ATOM 0 HG21 THR A 77 -9.149 -1.628 -2.623 1.00 0.00 H new ATOM 0 HG22 THR A 77 -10.886 -1.477 -2.263 1.00 0.00 H new ATOM 0 HG23 THR A 77 -10.187 -0.615 -3.654 1.00 0.00 H new ATOM 1194 N LEU A 78 -11.181 1.170 0.671 1.00 0.00 N ATOM 1195 CA LEU A 78 -11.891 0.952 1.927 1.00 0.00 C ATOM 1196 C LEU A 78 -12.515 2.249 2.432 1.00 0.00 C ATOM 1197 O LEU A 78 -12.238 3.329 1.909 1.00 0.00 O ATOM 1198 CB LEU A 78 -10.939 0.386 2.981 1.00 0.00 C ATOM 1199 CG LEU A 78 -11.113 -1.096 3.317 1.00 0.00 C ATOM 1200 CD1 LEU A 78 -9.944 -1.596 4.150 1.00 0.00 C ATOM 1201 CD2 LEU A 78 -12.428 -1.326 4.048 1.00 0.00 C ATOM 0 H LEU A 78 -10.220 1.495 0.780 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.690 0.233 1.745 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -9.916 0.543 2.639 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -11.060 0.962 3.898 1.00 0.00 H new ATOM 0 HG LEU A 78 -11.135 -1.660 2.384 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.086 -2.652 4.379 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.017 -1.467 3.591 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.889 -1.028 5.078 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -12.535 -2.386 4.279 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -12.435 -0.750 4.973 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -13.256 -1.007 3.416 1.00 0.00 H new ATOM 1213 N THR A 79 -13.357 2.135 3.454 1.00 0.00 N ATOM 1214 CA THR A 79 -14.020 3.298 4.031 1.00 0.00 C ATOM 1215 C THR A 79 -13.743 3.403 5.526 1.00 0.00 C ATOM 1216 O THR A 79 -13.559 2.393 6.206 1.00 0.00 O ATOM 1217 CB THR A 79 -15.543 3.248 3.804 1.00 0.00 C ATOM 1218 OG1 THR A 79 -16.111 2.156 4.536 1.00 0.00 O ATOM 1219 CG2 THR A 79 -15.865 3.095 2.325 1.00 0.00 C ATOM 0 H THR A 79 -13.596 1.249 3.899 1.00 0.00 H new ATOM 0 HA THR A 79 -13.614 4.175 3.527 1.00 0.00 H new ATOM 0 HB THR A 79 -15.972 4.185 4.158 1.00 0.00 H new ATOM 0 HG1 THR A 79 -17.079 2.132 4.388 1.00 0.00 H new ATOM 0 HG21 THR A 79 -16.946 3.062 2.190 1.00 0.00 H new ATOM 0 HG22 THR A 79 -15.456 3.942 1.774 1.00 0.00 H new ATOM 0 HG23 THR A 79 -15.424 2.171 1.950 1.00 0.00 H new ATOM 1227 N VAL A 80 -13.717 4.631 6.034 1.00 0.00 N ATOM 1228 CA VAL A 80 -13.465 4.867 7.451 1.00 0.00 C ATOM 1229 C VAL A 80 -14.348 3.980 8.321 1.00 0.00 C ATOM 1230 O VAL A 80 -13.888 3.406 9.308 1.00 0.00 O ATOM 1231 CB VAL A 80 -13.708 6.341 7.826 1.00 0.00 C ATOM 1232 CG1 VAL A 80 -13.637 6.527 9.334 1.00 0.00 C ATOM 1233 CG2 VAL A 80 -12.705 7.242 7.122 1.00 0.00 C ATOM 0 H VAL A 80 -13.867 5.478 5.486 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.418 4.622 7.632 1.00 0.00 H new ATOM 0 HB VAL A 80 -14.708 6.622 7.496 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -13.811 7.575 9.580 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -14.398 5.911 9.813 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -12.651 6.229 9.691 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -12.891 8.280 7.398 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -11.694 6.963 7.419 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.810 7.130 6.043 1.00 0.00 H new ATOM 1243 N GLY A 81 -15.620 3.873 7.949 1.00 0.00 N ATOM 1244 CA GLY A 81 -16.547 3.053 8.707 1.00 0.00 C ATOM 1245 C GLY A 81 -16.112 1.603 8.782 1.00 0.00 C ATOM 1246 O GLY A 81 -16.276 0.952 9.814 1.00 0.00 O ATOM 0 H GLY A 81 -16.025 4.339 7.137 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.640 3.454 9.716 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.535 3.109 8.250 1.00 0.00 H new ATOM 1250 N ASP A 82 -15.558 1.096 7.686 1.00 0.00 N ATOM 1251 CA ASP A 82 -15.099 -0.287 7.632 1.00 0.00 C ATOM 1252 C ASP A 82 -13.943 -0.514 8.601 1.00 0.00 C ATOM 1253 O ASP A 82 -13.992 -1.414 9.440 1.00 0.00 O ATOM 1254 CB ASP A 82 -14.667 -0.648 6.210 1.00 0.00 C ATOM 1255 CG ASP A 82 -15.595 -1.655 5.560 1.00 0.00 C ATOM 1256 OD1 ASP A 82 -15.960 -2.644 6.230 1.00 0.00 O ATOM 1257 OD2 ASP A 82 -15.958 -1.453 4.383 1.00 0.00 O ATOM 0 H ASP A 82 -15.416 1.622 6.824 1.00 0.00 H new ATOM 0 HA ASP A 82 -15.928 -0.931 7.926 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -14.635 0.257 5.603 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -13.655 -1.053 6.233 1.00 0.00 H new ATOM 1262 N ALA A 83 -12.905 0.306 8.479 1.00 0.00 N ATOM 1263 CA ALA A 83 -11.738 0.195 9.345 1.00 0.00 C ATOM 1264 C ALA A 83 -12.121 0.376 10.810 1.00 0.00 C ATOM 1265 O ALA A 83 -11.534 -0.244 11.697 1.00 0.00 O ATOM 1266 CB ALA A 83 -10.684 1.216 8.943 1.00 0.00 C ATOM 0 H ALA A 83 -12.848 1.055 7.789 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.323 -0.806 9.227 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.818 1.122 9.598 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.380 1.038 7.912 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.098 2.220 9.031 1.00 0.00 H new ATOM 1272 N LEU A 84 -13.109 1.229 11.057 1.00 0.00 N ATOM 1273 CA LEU A 84 -13.571 1.493 12.415 1.00 0.00 C ATOM 1274 C LEU A 84 -14.249 0.261 13.008 1.00 0.00 C ATOM 1275 O LEU A 84 -13.977 -0.123 14.146 1.00 0.00 O ATOM 1276 CB LEU A 84 -14.540 2.676 12.425 1.00 0.00 C ATOM 1277 CG LEU A 84 -14.487 3.577 13.659 1.00 0.00 C ATOM 1278 CD1 LEU A 84 -13.124 4.242 13.776 1.00 0.00 C ATOM 1279 CD2 LEU A 84 -15.590 4.623 13.604 1.00 0.00 C ATOM 0 H LEU A 84 -13.606 1.750 10.334 1.00 0.00 H new ATOM 0 HA LEU A 84 -12.703 1.738 13.027 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -14.344 3.288 11.545 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -15.554 2.290 12.325 1.00 0.00 H new ATOM 0 HG LEU A 84 -14.644 2.959 14.543 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -13.105 4.879 14.660 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.352 3.477 13.863 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.937 4.847 12.889 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -15.537 5.255 14.490 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -15.465 5.237 12.712 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -16.560 4.127 13.570 1.00 0.00 H new ATOM 1291 N LYS A 85 -15.131 -0.355 12.229 1.00 0.00 N ATOM 1292 CA LYS A 85 -15.846 -1.545 12.674 1.00 0.00 C ATOM 1293 C LYS A 85 -14.875 -2.683 12.974 1.00 0.00 C ATOM 1294 O LYS A 85 -15.059 -3.431 13.933 1.00 0.00 O ATOM 1295 CB LYS A 85 -16.854 -1.987 11.611 1.00 0.00 C ATOM 1296 CG LYS A 85 -18.190 -1.272 11.705 1.00 0.00 C ATOM 1297 CD LYS A 85 -19.348 -2.255 11.747 1.00 0.00 C ATOM 1298 CE LYS A 85 -20.683 -1.554 11.549 1.00 0.00 C ATOM 1299 NZ LYS A 85 -20.852 -1.068 10.151 1.00 0.00 N ATOM 0 H LYS A 85 -15.368 -0.049 11.285 1.00 0.00 H new ATOM 0 HA LYS A 85 -16.380 -1.296 13.591 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -16.427 -1.813 10.623 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -17.019 -3.061 11.703 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -18.208 -0.649 12.599 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -18.308 -0.606 10.850 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -19.214 -3.010 10.972 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -19.349 -2.777 12.704 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -21.493 -2.240 11.796 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -20.757 -0.712 12.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -21.847 -0.813 9.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -20.252 -0.232 9.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -20.575 -1.819 9.487 1.00 0.00 H new ATOM 1313 N GLN A 86 -13.841 -2.805 12.147 1.00 0.00 N ATOM 1314 CA GLN A 86 -12.841 -3.852 12.325 1.00 0.00 C ATOM 1315 C GLN A 86 -11.950 -3.554 13.526 1.00 0.00 C ATOM 1316 O GLN A 86 -11.598 -4.453 14.289 1.00 0.00 O ATOM 1317 CB GLN A 86 -11.988 -3.991 11.063 1.00 0.00 C ATOM 1318 CG GLN A 86 -12.782 -4.401 9.834 1.00 0.00 C ATOM 1319 CD GLN A 86 -11.900 -4.658 8.628 1.00 0.00 C ATOM 1320 OE1 GLN A 86 -10.707 -4.932 8.764 1.00 0.00 O ATOM 1321 NE2 GLN A 86 -12.482 -4.569 7.438 1.00 0.00 N ATOM 0 H GLN A 86 -13.674 -2.193 11.348 1.00 0.00 H new ATOM 0 HA GLN A 86 -13.363 -4.792 12.507 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.491 -3.041 10.864 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -11.206 -4.729 11.243 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -13.354 -5.301 10.059 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -13.501 -3.618 9.593 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -13.474 -4.339 7.371 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -11.938 -4.730 6.591 1.00 0.00 H new ATOM 1330 N GLY A 87 -11.587 -2.285 13.688 1.00 0.00 N ATOM 1331 CA GLY A 87 -10.739 -1.892 14.798 1.00 0.00 C ATOM 1332 C GLY A 87 -9.293 -1.702 14.384 1.00 0.00 C ATOM 1333 O GLY A 87 -8.385 -1.802 15.209 1.00 0.00 O ATOM 0 H GLY A 87 -11.865 -1.522 13.070 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -11.116 -0.964 15.228 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.793 -2.650 15.579 1.00 0.00 H new ATOM 1337 N LYS A 88 -9.078 -1.428 13.102 1.00 0.00 N ATOM 1338 CA LYS A 88 -7.732 -1.223 12.578 1.00 0.00 C ATOM 1339 C LYS A 88 -7.207 0.159 12.952 1.00 0.00 C ATOM 1340 O LYS A 88 -6.007 0.343 13.159 1.00 0.00 O ATOM 1341 CB LYS A 88 -7.724 -1.390 11.057 1.00 0.00 C ATOM 1342 CG LYS A 88 -8.504 -2.601 10.574 1.00 0.00 C ATOM 1343 CD LYS A 88 -8.035 -3.875 11.256 1.00 0.00 C ATOM 1344 CE LYS A 88 -7.949 -5.034 10.275 1.00 0.00 C ATOM 1345 NZ LYS A 88 -6.751 -5.883 10.522 1.00 0.00 N ATOM 0 H LYS A 88 -9.819 -1.343 12.406 1.00 0.00 H new ATOM 0 HA LYS A 88 -7.078 -1.973 13.023 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -8.141 -0.493 10.599 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.693 -1.472 10.714 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -9.566 -2.452 10.769 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -8.390 -2.702 9.495 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -7.058 -3.708 11.709 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -8.721 -4.131 12.063 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -8.849 -5.644 10.354 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -7.915 -4.646 9.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -6.729 -6.661 9.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -5.891 -5.307 10.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -6.795 -6.274 11.485 1.00 0.00 H new ATOM 1359 N ILE A 89 -8.113 1.128 13.037 1.00 0.00 N ATOM 1360 CA ILE A 89 -7.740 2.492 13.388 1.00 0.00 C ATOM 1361 C ILE A 89 -7.627 2.660 14.899 1.00 0.00 C ATOM 1362 O ILE A 89 -8.341 2.009 15.661 1.00 0.00 O ATOM 1363 CB ILE A 89 -8.759 3.512 12.845 1.00 0.00 C ATOM 1364 CG1 ILE A 89 -9.221 3.107 11.443 1.00 0.00 C ATOM 1365 CG2 ILE A 89 -8.154 4.907 12.826 1.00 0.00 C ATOM 1366 CD1 ILE A 89 -8.112 3.118 10.415 1.00 0.00 C ATOM 0 H ILE A 89 -9.110 0.993 12.868 1.00 0.00 H new ATOM 0 HA ILE A 89 -6.769 2.681 12.930 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.627 3.523 13.505 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -9.655 2.108 11.487 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -10.012 3.784 11.120 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.886 5.616 12.440 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -7.870 5.194 13.838 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -7.272 4.912 12.186 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.512 2.821 9.445 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -7.693 4.122 10.343 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -7.331 2.419 10.715 1.00 0.00 H new ATOM 1378 N GLU A 90 -6.726 3.539 15.326 1.00 0.00 N ATOM 1379 CA GLU A 90 -6.520 3.793 16.747 1.00 0.00 C ATOM 1380 C GLU A 90 -7.044 5.173 17.135 1.00 0.00 C ATOM 1381 O GLU A 90 -7.043 6.100 16.324 1.00 0.00 O ATOM 1382 CB GLU A 90 -5.035 3.682 17.098 1.00 0.00 C ATOM 1383 CG GLU A 90 -4.768 3.579 18.590 1.00 0.00 C ATOM 1384 CD GLU A 90 -3.380 3.053 18.900 1.00 0.00 C ATOM 1385 OE1 GLU A 90 -2.490 3.874 19.207 1.00 0.00 O ATOM 1386 OE2 GLU A 90 -3.183 1.822 18.836 1.00 0.00 O ATOM 0 H GLU A 90 -6.127 4.087 14.708 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.076 3.042 17.308 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.618 2.806 16.602 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -4.511 4.552 16.703 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -4.890 4.562 19.046 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.511 2.923 19.044 1.00 0.00 H new ATOM 1393 N LEU A 91 -7.491 5.301 18.379 1.00 0.00 N ATOM 1394 CA LEU A 91 -8.018 6.567 18.876 1.00 0.00 C ATOM 1395 C LEU A 91 -7.006 7.261 19.781 1.00 0.00 C ATOM 1396 O LEU A 91 -5.973 6.688 20.128 1.00 0.00 O ATOM 1397 CB LEU A 91 -9.325 6.335 19.636 1.00 0.00 C ATOM 1398 CG LEU A 91 -10.612 6.630 18.866 1.00 0.00 C ATOM 1399 CD1 LEU A 91 -11.812 6.026 19.579 1.00 0.00 C ATOM 1400 CD2 LEU A 91 -10.795 8.130 18.688 1.00 0.00 C ATOM 0 H LEU A 91 -7.499 4.544 19.062 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.213 7.212 18.019 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.352 5.296 19.963 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.314 6.952 20.534 1.00 0.00 H new ATOM 0 HG LEU A 91 -10.534 6.174 17.879 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -12.719 6.247 19.016 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -11.685 4.946 19.654 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -11.893 6.452 20.579 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -11.716 8.321 18.138 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -10.850 8.608 19.666 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.950 8.536 18.133 1.00 0.00 H new ATOM 1412 N SER A 92 -7.310 8.498 20.162 1.00 0.00 N ATOM 1413 CA SER A 92 -6.426 9.271 21.026 1.00 0.00 C ATOM 1414 C SER A 92 -7.215 10.302 21.827 1.00 0.00 C ATOM 1415 O SER A 92 -8.440 10.229 21.919 1.00 0.00 O ATOM 1416 CB SER A 92 -5.349 9.970 20.194 1.00 0.00 C ATOM 1417 OG SER A 92 -4.061 9.754 20.743 1.00 0.00 O ATOM 0 H SER A 92 -8.162 8.986 19.886 1.00 0.00 H new ATOM 0 HA SER A 92 -5.947 8.584 21.723 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.378 9.599 19.170 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.555 11.040 20.151 1.00 0.00 H new ATOM 0 HG SER A 92 -3.383 9.877 20.046 1.00 0.00 H new ATOM 1423 N GLY A 93 -6.502 11.264 22.407 1.00 0.00 N ATOM 1424 CA GLY A 93 -7.151 12.296 23.193 1.00 0.00 C ATOM 1425 C GLY A 93 -8.218 13.037 22.411 1.00 0.00 C ATOM 1426 O GLY A 93 -8.559 12.649 21.294 1.00 0.00 O ATOM 0 H GLY A 93 -5.487 11.346 22.346 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -7.601 11.845 24.078 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -6.402 13.007 23.543 1.00 0.00 H new ATOM 1430 N ASP A 94 -8.746 14.105 22.999 1.00 0.00 N ATOM 1431 CA ASP A 94 -9.780 14.902 22.350 1.00 0.00 C ATOM 1432 C ASP A 94 -10.824 14.005 21.692 1.00 0.00 C ATOM 1433 O ASP A 94 -10.919 13.943 20.467 1.00 0.00 O ATOM 1434 CB ASP A 94 -9.159 15.832 21.308 1.00 0.00 C ATOM 1435 CG ASP A 94 -7.877 16.476 21.798 1.00 0.00 C ATOM 1436 OD1 ASP A 94 -6.836 15.786 21.818 1.00 0.00 O ATOM 1437 OD2 ASP A 94 -7.914 17.670 22.160 1.00 0.00 O ATOM 0 H ASP A 94 -8.475 14.439 23.924 1.00 0.00 H new ATOM 0 HA ASP A 94 -10.273 15.504 23.114 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -8.954 15.268 20.398 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -9.876 16.610 21.046 1.00 0.00 H new ATOM 1442 N ALA A 95 -11.604 13.311 22.514 1.00 0.00 N ATOM 1443 CA ALA A 95 -12.642 12.419 22.012 1.00 0.00 C ATOM 1444 C ALA A 95 -13.528 13.126 20.993 1.00 0.00 C ATOM 1445 O ALA A 95 -13.947 12.530 20.000 1.00 0.00 O ATOM 1446 CB ALA A 95 -13.481 11.884 23.163 1.00 0.00 C ATOM 0 H ALA A 95 -11.537 13.349 23.531 1.00 0.00 H new ATOM 0 HA ALA A 95 -12.155 11.582 21.512 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -14.252 11.219 22.773 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -12.842 11.333 23.853 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -13.951 12.716 23.688 1.00 0.00 H new ATOM 1452 N ASP A 96 -13.811 14.399 21.244 1.00 0.00 N ATOM 1453 CA ASP A 96 -14.648 15.188 20.348 1.00 0.00 C ATOM 1454 C ASP A 96 -13.983 15.350 18.985 1.00 0.00 C ATOM 1455 O ASP A 96 -14.585 15.062 17.949 1.00 0.00 O ATOM 1456 CB ASP A 96 -14.932 16.562 20.957 1.00 0.00 C ATOM 1457 CG ASP A 96 -16.403 16.926 20.906 1.00 0.00 C ATOM 1458 OD1 ASP A 96 -16.727 18.019 20.396 1.00 0.00 O ATOM 1459 OD2 ASP A 96 -17.230 16.117 21.376 1.00 0.00 O ATOM 0 H ASP A 96 -13.473 14.907 22.061 1.00 0.00 H new ATOM 0 HA ASP A 96 -15.591 14.658 20.212 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -14.594 16.574 21.993 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -14.355 17.318 20.425 1.00 0.00 H new ATOM 1464 N LEU A 97 -12.737 15.812 18.991 1.00 0.00 N ATOM 1465 CA LEU A 97 -11.989 16.014 17.755 1.00 0.00 C ATOM 1466 C LEU A 97 -11.863 14.708 16.976 1.00 0.00 C ATOM 1467 O LEU A 97 -12.290 14.617 15.826 1.00 0.00 O ATOM 1468 CB LEU A 97 -10.600 16.574 18.062 1.00 0.00 C ATOM 1469 CG LEU A 97 -10.433 18.085 17.898 1.00 0.00 C ATOM 1470 CD1 LEU A 97 -10.044 18.726 19.220 1.00 0.00 C ATOM 1471 CD2 LEU A 97 -9.397 18.394 16.827 1.00 0.00 C ATOM 0 H LEU A 97 -12.223 16.054 19.838 1.00 0.00 H new ATOM 0 HA LEU A 97 -12.535 16.731 17.142 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -10.342 16.310 19.088 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.879 16.077 17.414 1.00 0.00 H new ATOM 0 HG LEU A 97 -11.388 18.505 17.582 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -9.930 19.801 19.083 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -10.821 18.535 19.960 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.101 18.302 19.566 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.291 19.474 16.724 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.438 17.961 17.113 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -9.718 17.969 15.876 1.00 0.00 H new ATOM 1483 N ALA A 98 -11.276 13.700 17.612 1.00 0.00 N ATOM 1484 CA ALA A 98 -11.098 12.398 16.981 1.00 0.00 C ATOM 1485 C ALA A 98 -12.421 11.862 16.447 1.00 0.00 C ATOM 1486 O ALA A 98 -12.460 11.199 15.410 1.00 0.00 O ATOM 1487 CB ALA A 98 -10.485 11.414 17.965 1.00 0.00 C ATOM 0 H ALA A 98 -10.915 13.760 18.564 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.419 12.520 16.137 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -10.358 10.446 17.480 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -9.514 11.785 18.294 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.143 11.304 18.827 1.00 0.00 H new ATOM 1493 N ALA A 99 -13.504 12.151 17.162 1.00 0.00 N ATOM 1494 CA ALA A 99 -14.829 11.698 16.758 1.00 0.00 C ATOM 1495 C ALA A 99 -15.337 12.487 15.556 1.00 0.00 C ATOM 1496 O ALA A 99 -15.931 11.924 14.637 1.00 0.00 O ATOM 1497 CB ALA A 99 -15.804 11.818 17.921 1.00 0.00 C ATOM 0 H ALA A 99 -13.489 12.697 18.024 1.00 0.00 H new ATOM 0 HA ALA A 99 -14.755 10.650 16.466 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -16.790 11.476 17.606 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -15.456 11.205 18.752 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -15.865 12.859 18.239 1.00 0.00 H new ATOM 1503 N LYS A 100 -15.099 13.794 15.569 1.00 0.00 N ATOM 1504 CA LYS A 100 -15.531 14.661 14.479 1.00 0.00 C ATOM 1505 C LYS A 100 -15.047 14.128 13.135 1.00 0.00 C ATOM 1506 O LYS A 100 -15.676 14.359 12.101 1.00 0.00 O ATOM 1507 CB LYS A 100 -15.008 16.084 14.694 1.00 0.00 C ATOM 1508 CG LYS A 100 -16.060 17.046 15.217 1.00 0.00 C ATOM 1509 CD LYS A 100 -16.583 16.616 16.577 1.00 0.00 C ATOM 1510 CE LYS A 100 -18.064 16.926 16.729 1.00 0.00 C ATOM 1511 NZ LYS A 100 -18.496 16.887 18.153 1.00 0.00 N ATOM 0 H LYS A 100 -14.609 14.276 16.323 1.00 0.00 H new ATOM 0 HA LYS A 100 -16.621 14.678 14.472 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -14.175 16.054 15.396 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -14.617 16.465 13.751 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -15.635 18.047 15.290 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -16.887 17.102 14.509 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -16.419 15.547 16.709 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -16.022 17.124 17.361 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -18.273 17.912 16.313 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -18.646 16.207 16.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -19.448 17.297 18.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -18.513 15.901 18.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -17.830 17.436 18.733 1.00 0.00 H new ATOM 1525 N LEU A 101 -13.928 13.413 13.155 1.00 0.00 N ATOM 1526 CA LEU A 101 -13.361 12.845 11.937 1.00 0.00 C ATOM 1527 C LEU A 101 -14.112 11.584 11.523 1.00 0.00 C ATOM 1528 O LEU A 101 -14.329 11.340 10.336 1.00 0.00 O ATOM 1529 CB LEU A 101 -11.879 12.525 12.142 1.00 0.00 C ATOM 1530 CG LEU A 101 -11.181 11.805 10.988 1.00 0.00 C ATOM 1531 CD1 LEU A 101 -10.993 12.745 9.808 1.00 0.00 C ATOM 1532 CD2 LEU A 101 -9.843 11.241 11.442 1.00 0.00 C ATOM 0 H LEU A 101 -13.395 13.213 14.001 1.00 0.00 H new ATOM 0 HA LEU A 101 -13.461 13.583 11.141 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -11.350 13.458 12.334 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -11.781 11.912 13.038 1.00 0.00 H new ATOM 0 HG LEU A 101 -11.812 10.976 10.668 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -10.495 12.215 8.996 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -11.966 13.099 9.467 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -10.384 13.596 10.114 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -9.361 10.732 10.607 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -9.205 12.053 11.789 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -10.004 10.533 12.255 1.00 0.00 H new ATOM 1544 N ALA A 102 -14.508 10.787 12.510 1.00 0.00 N ATOM 1545 CA ALA A 102 -15.239 9.553 12.248 1.00 0.00 C ATOM 1546 C ALA A 102 -16.677 9.845 11.833 1.00 0.00 C ATOM 1547 O ALA A 102 -17.176 9.286 10.856 1.00 0.00 O ATOM 1548 CB ALA A 102 -15.214 8.654 13.475 1.00 0.00 C ATOM 0 H ALA A 102 -14.335 10.974 13.498 1.00 0.00 H new ATOM 0 HA ALA A 102 -14.748 9.037 11.423 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -15.764 7.736 13.265 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -14.182 8.409 13.726 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -15.679 9.171 14.314 1.00 0.00 H new ATOM 1554 N GLU A 103 -17.338 10.723 12.581 1.00 0.00 N ATOM 1555 CA GLU A 103 -18.720 11.086 12.290 1.00 0.00 C ATOM 1556 C GLU A 103 -18.876 11.509 10.832 1.00 0.00 C ATOM 1557 O GLU A 103 -19.915 11.276 10.214 1.00 0.00 O ATOM 1558 CB GLU A 103 -19.178 12.217 13.212 1.00 0.00 C ATOM 1559 CG GLU A 103 -18.489 13.544 12.938 1.00 0.00 C ATOM 1560 CD GLU A 103 -19.054 14.678 13.771 1.00 0.00 C ATOM 1561 OE1 GLU A 103 -19.931 14.410 14.620 1.00 0.00 O ATOM 1562 OE2 GLU A 103 -18.620 15.832 13.575 1.00 0.00 O ATOM 0 H GLU A 103 -16.939 11.196 13.392 1.00 0.00 H new ATOM 0 HA GLU A 103 -19.344 10.209 12.465 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -20.255 12.348 13.105 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -18.993 11.928 14.247 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -17.423 13.444 13.142 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -18.589 13.790 11.881 1.00 0.00 H new ATOM 1569 N VAL A 104 -17.836 12.134 10.289 1.00 0.00 N ATOM 1570 CA VAL A 104 -17.856 12.590 8.904 1.00 0.00 C ATOM 1571 C VAL A 104 -18.246 11.459 7.959 1.00 0.00 C ATOM 1572 O VAL A 104 -19.053 11.648 7.048 1.00 0.00 O ATOM 1573 CB VAL A 104 -16.486 13.150 8.478 1.00 0.00 C ATOM 1574 CG1 VAL A 104 -16.465 13.432 6.983 1.00 0.00 C ATOM 1575 CG2 VAL A 104 -16.155 14.406 9.270 1.00 0.00 C ATOM 0 H VAL A 104 -16.969 12.336 10.787 1.00 0.00 H new ATOM 0 HA VAL A 104 -18.600 13.384 8.843 1.00 0.00 H new ATOM 0 HB VAL A 104 -15.724 12.401 8.693 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -15.489 13.827 6.701 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -16.655 12.509 6.436 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -17.236 14.163 6.740 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -15.184 14.788 8.956 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -16.919 15.162 9.089 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -16.125 14.168 10.333 1.00 0.00 H new ATOM 1585 N ILE A 105 -17.668 10.283 8.181 1.00 0.00 N ATOM 1586 CA ILE A 105 -17.957 9.121 7.350 1.00 0.00 C ATOM 1587 C ILE A 105 -19.148 8.340 7.892 1.00 0.00 C ATOM 1588 O ILE A 105 -19.998 7.874 7.132 1.00 0.00 O ATOM 1589 CB ILE A 105 -16.741 8.181 7.254 1.00 0.00 C ATOM 1590 CG1 ILE A 105 -15.549 8.915 6.635 1.00 0.00 C ATOM 1591 CG2 ILE A 105 -17.090 6.945 6.439 1.00 0.00 C ATOM 1592 CD1 ILE A 105 -14.714 9.670 7.645 1.00 0.00 C ATOM 0 H ILE A 105 -16.997 10.110 8.929 1.00 0.00 H new ATOM 0 HA ILE A 105 -18.195 9.496 6.355 1.00 0.00 H new ATOM 0 HB ILE A 105 -16.466 7.863 8.260 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -14.916 8.193 6.119 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -15.914 9.614 5.882 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -16.220 6.290 6.380 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -17.912 6.414 6.918 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -17.388 7.244 5.434 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -13.887 10.166 7.136 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -15.333 10.416 8.144 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -14.319 8.973 8.384 1.00 0.00 H new ATOM 1604 N HIS A 106 -19.206 8.200 9.213 1.00 0.00 N ATOM 1605 CA HIS A 106 -20.295 7.477 9.859 1.00 0.00 C ATOM 1606 C HIS A 106 -21.344 8.444 10.400 1.00 0.00 C ATOM 1607 O HIS A 106 -21.071 9.224 11.313 1.00 0.00 O ATOM 1608 CB HIS A 106 -19.755 6.605 10.993 1.00 0.00 C ATOM 1609 CG HIS A 106 -20.075 5.150 10.834 1.00 0.00 C ATOM 1610 ND1 HIS A 106 -21.359 4.675 10.675 1.00 0.00 N ATOM 1611 CD2 HIS A 106 -19.268 4.064 10.809 1.00 0.00 C ATOM 1612 CE1 HIS A 106 -21.329 3.359 10.561 1.00 0.00 C ATOM 1613 NE2 HIS A 106 -20.071 2.963 10.638 1.00 0.00 N ATOM 0 H HIS A 106 -18.511 8.578 9.857 1.00 0.00 H new ATOM 0 HA HIS A 106 -20.766 6.838 9.113 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -18.673 6.727 11.050 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -20.166 6.958 11.939 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -18.192 4.063 10.906 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -22.187 2.716 10.428 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -19.749 1.997 10.580 1.00 0.00 H new ATOM 1621 N HIS A 107 -22.544 8.386 9.832 1.00 0.00 N ATOM 1622 CA HIS A 107 -23.634 9.257 10.258 1.00 0.00 C ATOM 1623 C HIS A 107 -24.796 8.441 10.815 1.00 0.00 C ATOM 1624 O HIS A 107 -25.697 8.040 10.078 1.00 0.00 O ATOM 1625 CB HIS A 107 -24.115 10.117 9.088 1.00 0.00 C ATOM 1626 CG HIS A 107 -23.592 11.520 9.122 1.00 0.00 C ATOM 1627 ND1 HIS A 107 -22.951 12.110 8.054 1.00 0.00 N ATOM 1628 CD2 HIS A 107 -23.621 12.452 10.103 1.00 0.00 C ATOM 1629 CE1 HIS A 107 -22.606 13.344 8.377 1.00 0.00 C ATOM 1630 NE2 HIS A 107 -23.002 13.577 9.615 1.00 0.00 N ATOM 0 H HIS A 107 -22.786 7.746 9.076 1.00 0.00 H new ATOM 0 HA HIS A 107 -23.258 9.908 11.048 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -23.811 9.647 8.153 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -25.205 10.144 9.091 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -24.051 12.333 11.087 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -22.088 14.043 7.737 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -22.870 14.450 10.126 1.00 0.00 H new ATOM 1638 N HIS A 108 -24.768 8.197 12.122 1.00 0.00 N ATOM 1639 CA HIS A 108 -25.819 7.428 12.778 1.00 0.00 C ATOM 1640 C HIS A 108 -26.068 7.944 14.192 1.00 0.00 C ATOM 1641 O HIS A 108 -25.272 8.713 14.732 1.00 0.00 O ATOM 1642 CB HIS A 108 -25.444 5.946 12.823 1.00 0.00 C ATOM 1643 CG HIS A 108 -26.621 5.035 12.986 1.00 0.00 C ATOM 1644 ND1 HIS A 108 -26.693 4.066 13.965 1.00 0.00 N ATOM 1645 CD2 HIS A 108 -27.778 4.950 12.289 1.00 0.00 C ATOM 1646 CE1 HIS A 108 -27.842 3.423 13.862 1.00 0.00 C ATOM 1647 NE2 HIS A 108 -28.520 3.941 12.853 1.00 0.00 N ATOM 0 H HIS A 108 -24.029 8.521 12.747 1.00 0.00 H new ATOM 0 HA HIS A 108 -26.735 7.546 12.200 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -24.917 5.685 11.905 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -24.750 5.780 13.647 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -28.065 5.562 11.446 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -28.171 2.612 14.495 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -29.444 3.640 12.543 1.00 0.00 H new ATOM 1655 N HIS A 109 -27.178 7.517 14.786 1.00 0.00 N ATOM 1656 CA HIS A 109 -27.532 7.937 16.138 1.00 0.00 C ATOM 1657 C HIS A 109 -28.398 6.885 16.824 1.00 0.00 C ATOM 1658 O HIS A 109 -29.022 6.054 16.164 1.00 0.00 O ATOM 1659 CB HIS A 109 -28.267 9.277 16.102 1.00 0.00 C ATOM 1660 CG HIS A 109 -29.519 9.251 15.280 1.00 0.00 C ATOM 1661 ND1 HIS A 109 -30.759 8.954 15.807 1.00 0.00 N ATOM 1662 CD2 HIS A 109 -29.719 9.490 13.963 1.00 0.00 C ATOM 1663 CE1 HIS A 109 -31.666 9.009 14.848 1.00 0.00 C ATOM 1664 NE2 HIS A 109 -31.061 9.333 13.720 1.00 0.00 N ATOM 0 H HIS A 109 -27.848 6.881 14.353 1.00 0.00 H new ATOM 0 HA HIS A 109 -26.611 8.052 16.710 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -28.517 9.572 17.121 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -27.597 10.039 15.705 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -28.963 9.755 13.238 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -32.723 8.821 14.967 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -31.517 9.448 12.815 1.00 0.00 H new ATOM 1672 N HIS A 110 -28.432 6.928 18.152 1.00 0.00 N ATOM 1673 CA HIS A 110 -29.222 5.978 18.927 1.00 0.00 C ATOM 1674 C HIS A 110 -29.976 6.687 20.048 1.00 0.00 C ATOM 1675 O HIS A 110 -29.468 7.634 20.651 1.00 0.00 O ATOM 1676 CB HIS A 110 -28.321 4.890 19.512 1.00 0.00 C ATOM 1677 CG HIS A 110 -29.007 3.569 19.675 1.00 0.00 C ATOM 1678 ND1 HIS A 110 -29.197 2.686 18.633 1.00 0.00 N ATOM 1679 CD2 HIS A 110 -29.548 2.981 20.768 1.00 0.00 C ATOM 1680 CE1 HIS A 110 -29.827 1.613 19.077 1.00 0.00 C ATOM 1681 NE2 HIS A 110 -30.051 1.766 20.370 1.00 0.00 N ATOM 0 H HIS A 110 -27.922 7.610 18.714 1.00 0.00 H new ATOM 0 HA HIS A 110 -29.949 5.516 18.258 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -27.453 4.762 18.865 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -27.950 5.220 20.482 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -29.578 3.391 21.767 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -30.111 0.756 18.484 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -30.521 1.092 20.974 1.00 0.00 H new ATOM 1689 N HIS A 111 -31.191 6.224 20.323 1.00 0.00 N ATOM 1690 CA HIS A 111 -32.016 6.814 21.372 1.00 0.00 C ATOM 1691 C HIS A 111 -32.082 5.898 22.590 1.00 0.00 C ATOM 1692 O HIS A 111 -32.910 4.988 22.650 1.00 0.00 O ATOM 1693 CB HIS A 111 -33.426 7.088 20.848 1.00 0.00 C ATOM 1694 CG HIS A 111 -34.307 7.786 21.837 1.00 0.00 C ATOM 1695 ND1 HIS A 111 -35.022 7.119 22.810 1.00 0.00 N ATOM 1696 CD2 HIS A 111 -34.587 9.100 22.002 1.00 0.00 C ATOM 1697 CE1 HIS A 111 -35.704 7.993 23.529 1.00 0.00 C ATOM 1698 NE2 HIS A 111 -35.457 9.202 23.059 1.00 0.00 N ATOM 0 H HIS A 111 -31.627 5.442 19.834 1.00 0.00 H new ATOM 0 HA HIS A 111 -31.559 7.757 21.673 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -33.358 7.693 19.944 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -33.889 6.143 20.564 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -34.198 9.917 21.412 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -36.353 7.758 24.360 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -35.849 10.071 23.422 1.00 0.00 H new TER 1706 HIS A 111