USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 602 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 64 GLN : amide:sc= -0.235 K(o=-0.16,f=-3.9!) USER MOD Set 1.2: A 68 LYS NZ :NH3+ -137:sc= 0.0761 (180deg=0) USER MOD Set 2.1: A 48 HIS : no HD1:sc= -0.0886 X(o=-0.093,f=-0.0045) USER MOD Set 2.2: A 49 LYS NZ :NH3+ -172:sc=-0.00447 (180deg=-0.0868) USER MOD Set 3.1: A 32 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 58 TYR OH : rot 165:sc= 0 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0103 USER MOD Single : A 7 SER OG : rot 98:sc= 0.974 USER MOD Single : A 8 LYS NZ :NH3+ -161:sc= -0.0608 (180deg=-0.471) USER MOD Single : A 9 THR OG1 : rot 43:sc= 0.563 USER MOD Single : A 10 SER OG : rot 180:sc= -1.6! USER MOD Single : A 11 MET CE :methyl -157:sc= -2.39! (180deg=-3.86!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00931) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.472 X(o=-0.47,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -108:sc= 0.0459 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -174:sc= -0.516 (180deg=-0.731) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0206) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 69 TYR OH : rot 160:sc= 1.03 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -0.035 16.217 8.172 1.00 0.00 N ATOM 2 CA SER A 1 -0.330 14.766 8.033 1.00 0.00 C ATOM 3 C SER A 1 0.697 14.083 7.130 1.00 0.00 C ATOM 4 O SER A 1 0.785 14.384 5.938 1.00 0.00 O ATOM 5 CB SER A 1 -1.740 14.565 7.468 1.00 0.00 C ATOM 6 OG SER A 1 -2.068 13.188 7.384 1.00 0.00 O ATOM 0 H1 SER A 1 -0.746 16.658 8.790 1.00 0.00 H new ATOM 0 H2 SER A 1 0.910 16.341 8.588 1.00 0.00 H new ATOM 0 H3 SER A 1 -0.062 16.668 7.235 1.00 0.00 H new ATOM 0 HA SER A 1 -0.273 14.312 9.022 1.00 0.00 H new ATOM 0 HB2 SER A 1 -2.465 15.076 8.102 1.00 0.00 H new ATOM 0 HB3 SER A 1 -1.806 15.018 6.479 1.00 0.00 H new ATOM 0 HG SER A 1 -2.973 13.089 7.022 1.00 0.00 H new ATOM 14 N ASP A 2 1.471 13.164 7.710 1.00 0.00 N ATOM 15 CA ASP A 2 2.494 12.437 6.961 1.00 0.00 C ATOM 16 C ASP A 2 2.100 10.975 6.764 1.00 0.00 C ATOM 17 O ASP A 2 1.276 10.437 7.507 1.00 0.00 O ATOM 18 CB ASP A 2 3.843 12.520 7.680 1.00 0.00 C ATOM 19 CG ASP A 2 4.370 13.941 7.759 1.00 0.00 C ATOM 20 OD1 ASP A 2 4.987 14.402 6.775 1.00 0.00 O ATOM 21 OD2 ASP A 2 4.164 14.592 8.805 1.00 0.00 O ATOM 0 H ASP A 2 1.408 12.907 8.695 1.00 0.00 H new ATOM 0 HA ASP A 2 2.582 12.904 5.980 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.740 12.117 8.688 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.568 11.895 7.159 1.00 0.00 H new ATOM 26 N VAL A 3 2.698 10.340 5.757 1.00 0.00 N ATOM 27 CA VAL A 3 2.419 8.940 5.446 1.00 0.00 C ATOM 28 C VAL A 3 2.882 8.010 6.569 1.00 0.00 C ATOM 29 O VAL A 3 2.237 6.996 6.845 1.00 0.00 O ATOM 30 CB VAL A 3 3.084 8.514 4.115 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.600 8.443 4.253 1.00 0.00 C ATOM 32 CG2 VAL A 3 2.520 7.185 3.634 1.00 0.00 C ATOM 0 H VAL A 3 3.383 10.777 5.140 1.00 0.00 H new ATOM 0 HA VAL A 3 1.337 8.852 5.344 1.00 0.00 H new ATOM 0 HB VAL A 3 2.855 9.274 3.368 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.038 8.141 3.302 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.986 9.422 4.536 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.862 7.715 5.020 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.001 6.904 2.697 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.709 6.417 4.384 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.446 7.281 3.476 1.00 0.00 H new ATOM 42 N TRP A 4 3.995 8.359 7.220 1.00 0.00 N ATOM 43 CA TRP A 4 4.530 7.546 8.307 1.00 0.00 C ATOM 44 C TRP A 4 3.822 7.859 9.626 1.00 0.00 C ATOM 45 O TRP A 4 3.520 6.949 10.400 1.00 0.00 O ATOM 46 CB TRP A 4 6.039 7.761 8.452 1.00 0.00 C ATOM 47 CG TRP A 4 6.843 6.512 8.244 1.00 0.00 C ATOM 48 CD1 TRP A 4 6.670 5.312 8.872 1.00 0.00 C ATOM 49 CD2 TRP A 4 7.949 6.342 7.351 1.00 0.00 C ATOM 50 NE1 TRP A 4 7.601 4.406 8.422 1.00 0.00 N ATOM 51 CE2 TRP A 4 8.397 5.015 7.488 1.00 0.00 C ATOM 52 CE3 TRP A 4 8.605 7.185 6.447 1.00 0.00 C ATOM 53 CZ2 TRP A 4 9.468 4.511 6.755 1.00 0.00 C ATOM 54 CZ3 TRP A 4 9.668 6.683 5.720 1.00 0.00 C ATOM 55 CH2 TRP A 4 10.090 5.357 5.878 1.00 0.00 C ATOM 0 H TRP A 4 4.539 9.196 7.012 1.00 0.00 H new ATOM 0 HA TRP A 4 4.349 6.500 8.061 1.00 0.00 H new ATOM 0 HB2 TRP A 4 6.361 8.515 7.734 1.00 0.00 H new ATOM 0 HB3 TRP A 4 6.248 8.157 9.446 1.00 0.00 H new ATOM 0 HD1 TRP A 4 5.913 5.105 9.614 1.00 0.00 H new ATOM 0 HE1 TRP A 4 7.685 3.438 8.733 1.00 0.00 H new ATOM 0 HE3 TRP A 4 8.287 8.209 6.320 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 9.796 3.489 6.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 10.182 7.324 5.019 1.00 0.00 H new ATOM 0 HH2 TRP A 4 10.924 4.995 5.295 1.00 0.00 H new ATOM 66 N SER A 5 3.566 9.147 9.884 1.00 0.00 N ATOM 67 CA SER A 5 2.864 9.558 11.101 1.00 0.00 C ATOM 68 C SER A 5 1.474 8.927 11.133 1.00 0.00 C ATOM 69 O SER A 5 1.098 8.286 12.115 1.00 0.00 O ATOM 70 CB SER A 5 2.758 11.084 11.173 1.00 0.00 C ATOM 71 OG SER A 5 4.041 11.686 11.168 1.00 0.00 O ATOM 0 H SER A 5 3.833 9.916 9.270 1.00 0.00 H new ATOM 0 HA SER A 5 3.431 9.215 11.967 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.177 11.451 10.327 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.221 11.372 12.077 1.00 0.00 H new ATOM 0 HG SER A 5 3.945 12.660 11.213 1.00 0.00 H new ATOM 77 N LEU A 6 0.714 9.113 10.051 1.00 0.00 N ATOM 78 CA LEU A 6 -0.630 8.554 9.951 1.00 0.00 C ATOM 79 C LEU A 6 -0.588 7.215 9.218 1.00 0.00 C ATOM 80 O LEU A 6 -0.860 7.140 8.017 1.00 0.00 O ATOM 81 CB LEU A 6 -1.577 9.526 9.234 1.00 0.00 C ATOM 82 CG LEU A 6 -1.933 10.803 10.009 1.00 0.00 C ATOM 83 CD1 LEU A 6 -2.489 10.463 11.384 1.00 0.00 C ATOM 84 CD2 LEU A 6 -0.720 11.714 10.131 1.00 0.00 C ATOM 0 H LEU A 6 1.009 9.647 9.234 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.011 8.394 10.960 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.123 9.813 8.286 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.500 8.997 8.998 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.705 11.334 9.452 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.734 11.383 11.915 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.388 9.857 11.273 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.743 9.905 11.950 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.994 12.613 10.683 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.076 11.191 10.661 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.372 11.992 9.136 1.00 0.00 H new ATOM 96 N SER A 7 -0.228 6.162 9.950 1.00 0.00 N ATOM 97 CA SER A 7 -0.138 4.819 9.381 1.00 0.00 C ATOM 98 C SER A 7 -1.228 3.885 9.920 1.00 0.00 C ATOM 99 O SER A 7 -1.181 2.675 9.693 1.00 0.00 O ATOM 100 CB SER A 7 1.248 4.224 9.650 1.00 0.00 C ATOM 101 OG SER A 7 2.248 4.905 8.912 1.00 0.00 O ATOM 0 H SER A 7 0.007 6.214 10.941 1.00 0.00 H new ATOM 0 HA SER A 7 -0.293 4.911 8.306 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.473 4.285 10.715 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.251 3.167 9.383 1.00 0.00 H new ATOM 0 HG SER A 7 2.685 5.567 9.487 1.00 0.00 H new ATOM 107 N LYS A 8 -2.210 4.451 10.634 1.00 0.00 N ATOM 108 CA LYS A 8 -3.309 3.666 11.193 1.00 0.00 C ATOM 109 C LYS A 8 -4.586 3.816 10.355 1.00 0.00 C ATOM 110 O LYS A 8 -5.696 3.796 10.891 1.00 0.00 O ATOM 111 CB LYS A 8 -3.577 4.103 12.638 1.00 0.00 C ATOM 112 CG LYS A 8 -2.340 4.081 13.526 1.00 0.00 C ATOM 113 CD LYS A 8 -1.705 2.698 13.571 1.00 0.00 C ATOM 114 CE LYS A 8 -0.393 2.710 14.340 1.00 0.00 C ATOM 115 NZ LYS A 8 0.637 3.562 13.680 1.00 0.00 N ATOM 0 H LYS A 8 -2.262 5.449 10.836 1.00 0.00 H new ATOM 0 HA LYS A 8 -3.018 2.616 11.177 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.991 5.111 12.632 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.335 3.450 13.071 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.613 4.804 13.155 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.611 4.390 14.535 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.395 1.995 14.038 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.529 2.344 12.555 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.570 3.074 15.352 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.017 1.691 14.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.580 3.301 14.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.599 3.418 12.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.451 4.562 13.897 1.00 0.00 H new ATOM 129 N THR A 9 -4.421 3.952 9.037 1.00 0.00 N ATOM 130 CA THR A 9 -5.555 4.102 8.128 1.00 0.00 C ATOM 131 C THR A 9 -5.650 2.917 7.167 1.00 0.00 C ATOM 132 O THR A 9 -4.895 2.832 6.193 1.00 0.00 O ATOM 133 CB THR A 9 -5.454 5.412 7.318 1.00 0.00 C ATOM 134 OG1 THR A 9 -4.197 5.473 6.630 1.00 0.00 O ATOM 135 CG2 THR A 9 -5.595 6.623 8.227 1.00 0.00 C ATOM 0 H THR A 9 -3.511 3.961 8.577 1.00 0.00 H new ATOM 0 HA THR A 9 -6.455 4.136 8.742 1.00 0.00 H new ATOM 0 HB THR A 9 -6.266 5.423 6.591 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.993 4.596 6.242 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.520 7.534 7.633 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.564 6.593 8.725 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.802 6.611 8.975 1.00 0.00 H new ATOM 143 N SER A 10 -6.575 1.999 7.448 1.00 0.00 N ATOM 144 CA SER A 10 -6.763 0.816 6.608 1.00 0.00 C ATOM 145 C SER A 10 -7.655 1.129 5.409 1.00 0.00 C ATOM 146 O SER A 10 -8.333 2.159 5.375 1.00 0.00 O ATOM 147 CB SER A 10 -7.373 -0.335 7.417 1.00 0.00 C ATOM 148 OG SER A 10 -6.631 -0.589 8.597 1.00 0.00 O ATOM 0 H SER A 10 -7.204 2.051 8.249 1.00 0.00 H new ATOM 0 HA SER A 10 -5.781 0.513 6.244 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.403 -0.092 7.679 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.404 -1.236 6.804 1.00 0.00 H new ATOM 0 HG SER A 10 -7.046 -1.326 9.092 1.00 0.00 H new ATOM 154 N MET A 11 -7.651 0.229 4.427 1.00 0.00 N ATOM 155 CA MET A 11 -8.459 0.395 3.223 1.00 0.00 C ATOM 156 C MET A 11 -9.048 -0.943 2.785 1.00 0.00 C ATOM 157 O MET A 11 -8.420 -1.992 2.945 1.00 0.00 O ATOM 158 CB MET A 11 -7.617 0.995 2.096 1.00 0.00 C ATOM 159 CG MET A 11 -8.421 1.389 0.864 1.00 0.00 C ATOM 160 SD MET A 11 -9.048 3.081 0.941 1.00 0.00 S ATOM 161 CE MET A 11 -10.200 2.970 2.309 1.00 0.00 C ATOM 0 H MET A 11 -7.094 -0.626 4.443 1.00 0.00 H new ATOM 0 HA MET A 11 -9.278 1.077 3.450 1.00 0.00 H new ATOM 0 HB2 MET A 11 -7.097 1.875 2.474 1.00 0.00 H new ATOM 0 HB3 MET A 11 -6.853 0.274 1.804 1.00 0.00 H new ATOM 0 HG2 MET A 11 -7.795 1.279 -0.022 1.00 0.00 H new ATOM 0 HG3 MET A 11 -9.259 0.702 0.749 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.940 3.766 2.227 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.702 2.003 2.284 1.00 0.00 H new ATOM 0 HE3 MET A 11 -9.659 3.074 3.250 1.00 0.00 H new ATOM 171 N THR A 12 -10.257 -0.897 2.230 1.00 0.00 N ATOM 172 CA THR A 12 -10.939 -2.103 1.778 1.00 0.00 C ATOM 173 C THR A 12 -10.700 -2.369 0.292 1.00 0.00 C ATOM 174 O THR A 12 -10.939 -1.504 -0.555 1.00 0.00 O ATOM 175 CB THR A 12 -12.457 -2.024 2.042 1.00 0.00 C ATOM 176 OG1 THR A 12 -12.701 -1.796 3.435 1.00 0.00 O ATOM 177 CG2 THR A 12 -13.156 -3.306 1.607 1.00 0.00 C ATOM 0 H THR A 12 -10.783 -0.036 2.083 1.00 0.00 H new ATOM 0 HA THR A 12 -10.518 -2.928 2.353 1.00 0.00 H new ATOM 0 HB THR A 12 -12.858 -1.195 1.459 1.00 0.00 H new ATOM 0 HG1 THR A 12 -13.667 -1.745 3.594 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.225 -3.223 1.805 1.00 0.00 H new ATOM 0 HG22 THR A 12 -12.995 -3.464 0.541 1.00 0.00 H new ATOM 0 HG23 THR A 12 -12.749 -4.150 2.164 1.00 0.00 H new ATOM 185 N PHE A 13 -10.224 -3.575 -0.009 1.00 0.00 N ATOM 186 CA PHE A 13 -9.962 -3.996 -1.382 1.00 0.00 C ATOM 187 C PHE A 13 -11.176 -4.741 -1.929 1.00 0.00 C ATOM 188 O PHE A 13 -11.827 -5.498 -1.206 1.00 0.00 O ATOM 189 CB PHE A 13 -8.722 -4.897 -1.436 1.00 0.00 C ATOM 190 CG PHE A 13 -7.435 -4.182 -1.122 1.00 0.00 C ATOM 191 CD1 PHE A 13 -7.154 -3.759 0.167 1.00 0.00 C ATOM 192 CD2 PHE A 13 -6.503 -3.939 -2.119 1.00 0.00 C ATOM 193 CE1 PHE A 13 -5.971 -3.108 0.456 1.00 0.00 C ATOM 194 CE2 PHE A 13 -5.318 -3.287 -1.837 1.00 0.00 C ATOM 195 CZ PHE A 13 -5.052 -2.871 -0.547 1.00 0.00 C ATOM 0 H PHE A 13 -10.010 -4.286 0.690 1.00 0.00 H new ATOM 0 HA PHE A 13 -9.775 -3.114 -1.995 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.851 -5.719 -0.732 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -8.648 -5.338 -2.430 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -7.869 -3.941 0.956 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.706 -4.263 -3.129 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -5.765 -2.785 1.466 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.601 -3.103 -2.624 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.127 -2.361 -0.323 1.00 0.00 H new ATOM 205 N GLN A 14 -11.475 -4.522 -3.208 1.00 0.00 N ATOM 206 CA GLN A 14 -12.614 -5.168 -3.852 1.00 0.00 C ATOM 207 C GLN A 14 -12.148 -6.067 -4.995 1.00 0.00 C ATOM 208 O GLN A 14 -11.580 -5.586 -5.978 1.00 0.00 O ATOM 209 CB GLN A 14 -13.592 -4.113 -4.377 1.00 0.00 C ATOM 210 CG GLN A 14 -14.841 -4.698 -5.021 1.00 0.00 C ATOM 211 CD GLN A 14 -15.743 -3.632 -5.614 1.00 0.00 C ATOM 212 OE1 GLN A 14 -15.611 -3.272 -6.784 1.00 0.00 O ATOM 213 NE2 GLN A 14 -16.667 -3.118 -4.806 1.00 0.00 N ATOM 0 H GLN A 14 -10.943 -3.901 -3.818 1.00 0.00 H new ATOM 0 HA GLN A 14 -13.123 -5.786 -3.112 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -13.889 -3.465 -3.553 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -13.078 -3.486 -5.106 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -14.548 -5.398 -5.804 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -15.397 -5.267 -4.276 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -16.742 -3.446 -3.843 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -17.301 -2.396 -5.150 1.00 0.00 H new ATOM 222 N PRO A 15 -12.379 -7.388 -4.878 1.00 0.00 N ATOM 223 CA PRO A 15 -11.977 -8.348 -5.910 1.00 0.00 C ATOM 224 C PRO A 15 -12.757 -8.156 -7.208 1.00 0.00 C ATOM 225 O PRO A 15 -13.939 -7.803 -7.186 1.00 0.00 O ATOM 226 CB PRO A 15 -12.290 -9.710 -5.282 1.00 0.00 C ATOM 227 CG PRO A 15 -13.316 -9.433 -4.239 1.00 0.00 C ATOM 228 CD PRO A 15 -13.041 -8.044 -3.735 1.00 0.00 C ATOM 0 HA PRO A 15 -10.930 -8.233 -6.189 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -12.666 -10.410 -6.028 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.397 -10.157 -4.846 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -14.321 -9.504 -4.654 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -13.253 -10.160 -3.429 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -13.960 -7.530 -3.454 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -12.400 -8.056 -2.853 1.00 0.00 H new ATOM 236 N LYS A 16 -12.090 -8.387 -8.339 1.00 0.00 N ATOM 237 CA LYS A 16 -12.725 -8.241 -9.648 1.00 0.00 C ATOM 238 C LYS A 16 -13.736 -9.361 -9.901 1.00 0.00 C ATOM 239 O LYS A 16 -14.766 -9.137 -10.540 1.00 0.00 O ATOM 240 CB LYS A 16 -11.671 -8.225 -10.760 1.00 0.00 C ATOM 241 CG LYS A 16 -10.711 -7.047 -10.681 1.00 0.00 C ATOM 242 CD LYS A 16 -11.443 -5.713 -10.709 1.00 0.00 C ATOM 243 CE LYS A 16 -10.493 -4.552 -10.455 1.00 0.00 C ATOM 244 NZ LYS A 16 -11.214 -3.256 -10.331 1.00 0.00 N ATOM 0 H LYS A 16 -11.112 -8.675 -8.375 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.259 -7.291 -9.653 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.098 -9.152 -10.718 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.176 -8.206 -11.726 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.123 -7.119 -9.766 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.010 -7.094 -11.515 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.928 -5.583 -11.676 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.230 -5.712 -9.955 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.927 -4.740 -9.543 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.772 -4.489 -11.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.526 -2.488 -10.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.761 -3.079 -11.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.859 -3.294 -9.516 1.00 0.00 H new ATOM 258 N LYS A 17 -13.440 -10.563 -9.397 1.00 0.00 N ATOM 259 CA LYS A 17 -14.328 -11.711 -9.575 1.00 0.00 C ATOM 260 C LYS A 17 -14.658 -12.377 -8.239 1.00 0.00 C ATOM 261 O LYS A 17 -14.058 -12.063 -7.209 1.00 0.00 O ATOM 262 CB LYS A 17 -13.696 -12.728 -10.533 1.00 0.00 C ATOM 263 CG LYS A 17 -12.335 -13.240 -10.082 1.00 0.00 C ATOM 264 CD LYS A 17 -11.704 -14.145 -11.130 1.00 0.00 C ATOM 265 CE LYS A 17 -11.410 -13.391 -12.419 1.00 0.00 C ATOM 266 NZ LYS A 17 -10.806 -14.273 -13.456 1.00 0.00 N ATOM 0 H LYS A 17 -12.594 -10.764 -8.864 1.00 0.00 H new ATOM 0 HA LYS A 17 -15.261 -11.347 -10.006 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -14.373 -13.575 -10.645 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.593 -12.270 -11.517 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.675 -12.396 -9.884 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.443 -13.787 -9.145 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.780 -14.568 -10.737 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.373 -14.980 -11.341 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.333 -12.958 -12.804 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.733 -12.563 -12.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.622 -13.720 -14.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.912 -14.666 -13.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.462 -15.049 -13.677 1.00 0.00 H new ATOM 280 N ALA A 18 -15.621 -13.303 -8.270 1.00 0.00 N ATOM 281 CA ALA A 18 -16.049 -14.023 -7.070 1.00 0.00 C ATOM 282 C ALA A 18 -14.906 -14.831 -6.458 1.00 0.00 C ATOM 283 O ALA A 18 -14.801 -14.937 -5.235 1.00 0.00 O ATOM 284 CB ALA A 18 -17.223 -14.938 -7.393 1.00 0.00 C ATOM 0 H ALA A 18 -16.120 -13.572 -9.118 1.00 0.00 H new ATOM 0 HA ALA A 18 -16.363 -13.281 -6.336 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -17.531 -15.467 -6.491 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -18.056 -14.343 -7.767 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -16.923 -15.660 -8.153 1.00 0.00 H new ATOM 290 N SER A 19 -14.052 -15.403 -7.313 1.00 0.00 N ATOM 291 CA SER A 19 -12.912 -16.199 -6.854 1.00 0.00 C ATOM 292 C SER A 19 -12.036 -15.400 -5.890 1.00 0.00 C ATOM 293 O SER A 19 -11.585 -15.926 -4.871 1.00 0.00 O ATOM 294 CB SER A 19 -12.075 -16.675 -8.045 1.00 0.00 C ATOM 295 OG SER A 19 -12.840 -17.494 -8.913 1.00 0.00 O ATOM 0 H SER A 19 -14.130 -15.329 -8.327 1.00 0.00 H new ATOM 0 HA SER A 19 -13.304 -17.068 -6.325 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.696 -15.813 -8.594 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.209 -17.231 -7.686 1.00 0.00 H new ATOM 0 HG SER A 19 -12.283 -17.783 -9.666 1.00 0.00 H new ATOM 301 N LEU A 20 -11.802 -14.129 -6.219 1.00 0.00 N ATOM 302 CA LEU A 20 -10.988 -13.254 -5.383 1.00 0.00 C ATOM 303 C LEU A 20 -11.769 -12.794 -4.151 1.00 0.00 C ATOM 304 O LEU A 20 -12.995 -12.659 -4.196 1.00 0.00 O ATOM 305 CB LEU A 20 -10.518 -12.042 -6.191 1.00 0.00 C ATOM 306 CG LEU A 20 -9.579 -12.357 -7.359 1.00 0.00 C ATOM 307 CD1 LEU A 20 -9.372 -11.123 -8.224 1.00 0.00 C ATOM 308 CD2 LEU A 20 -8.244 -12.880 -6.846 1.00 0.00 C ATOM 0 H LEU A 20 -12.167 -13.684 -7.061 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.118 -13.817 -5.045 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.394 -11.524 -6.581 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.013 -11.351 -5.517 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.039 -13.133 -7.971 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.702 -11.365 -9.049 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.332 -10.792 -8.621 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.934 -10.327 -7.623 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.590 -13.098 -7.690 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.778 -12.127 -6.211 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.407 -13.790 -6.269 1.00 0.00 H new ATOM 320 N GLN A 21 -11.048 -12.555 -3.057 1.00 0.00 N ATOM 321 CA GLN A 21 -11.666 -12.119 -1.803 1.00 0.00 C ATOM 322 C GLN A 21 -11.141 -10.751 -1.366 1.00 0.00 C ATOM 323 O GLN A 21 -9.951 -10.463 -1.502 1.00 0.00 O ATOM 324 CB GLN A 21 -11.406 -13.147 -0.697 1.00 0.00 C ATOM 325 CG GLN A 21 -12.012 -14.517 -0.980 1.00 0.00 C ATOM 326 CD GLN A 21 -11.876 -15.488 0.186 1.00 0.00 C ATOM 327 OE1 GLN A 21 -12.753 -16.322 0.410 1.00 0.00 O ATOM 328 NE2 GLN A 21 -10.773 -15.398 0.928 1.00 0.00 N ATOM 0 H GLN A 21 -10.034 -12.656 -3.012 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.739 -12.034 -1.977 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.330 -13.256 -0.560 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.810 -12.768 0.242 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -13.068 -14.397 -1.222 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -11.530 -14.945 -1.859 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -10.068 -14.693 0.711 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -10.633 -16.034 1.713 1.00 0.00 H new ATOM 337 N PRO A 22 -12.030 -9.891 -0.822 1.00 0.00 N ATOM 338 CA PRO A 22 -11.664 -8.540 -0.360 1.00 0.00 C ATOM 339 C PRO A 22 -10.528 -8.549 0.665 1.00 0.00 C ATOM 340 O PRO A 22 -10.212 -9.588 1.250 1.00 0.00 O ATOM 341 CB PRO A 22 -12.956 -8.019 0.278 1.00 0.00 C ATOM 342 CG PRO A 22 -14.041 -8.803 -0.374 1.00 0.00 C ATOM 343 CD PRO A 22 -13.465 -10.167 -0.616 1.00 0.00 C ATOM 0 HA PRO A 22 -11.294 -7.923 -1.179 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -12.953 -8.169 1.358 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -13.080 -6.950 0.105 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -14.923 -8.858 0.264 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.353 -8.338 -1.309 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -13.630 -10.831 0.232 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.913 -10.645 -1.487 1.00 0.00 H new ATOM 351 N LEU A 23 -9.923 -7.379 0.879 1.00 0.00 N ATOM 352 CA LEU A 23 -8.816 -7.242 1.827 1.00 0.00 C ATOM 353 C LEU A 23 -8.949 -5.955 2.637 1.00 0.00 C ATOM 354 O LEU A 23 -9.459 -4.950 2.143 1.00 0.00 O ATOM 355 CB LEU A 23 -7.478 -7.263 1.078 1.00 0.00 C ATOM 356 CG LEU A 23 -6.233 -7.461 1.951 1.00 0.00 C ATOM 357 CD1 LEU A 23 -5.150 -8.194 1.173 1.00 0.00 C ATOM 358 CD2 LEU A 23 -5.706 -6.122 2.452 1.00 0.00 C ATOM 0 H LEU A 23 -10.181 -6.512 0.408 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.849 -8.083 2.519 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.510 -8.061 0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.372 -6.325 0.533 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.515 -8.065 2.814 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.273 -8.327 1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.523 -9.170 0.861 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.877 -7.612 0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.823 -6.287 3.069 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.442 -5.493 1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.475 -5.627 3.044 1.00 0.00 H new ATOM 370 N THR A 24 -8.495 -5.994 3.886 1.00 0.00 N ATOM 371 CA THR A 24 -8.561 -4.828 4.762 1.00 0.00 C ATOM 372 C THR A 24 -7.300 -4.705 5.616 1.00 0.00 C ATOM 373 O THR A 24 -7.124 -5.444 6.588 1.00 0.00 O ATOM 374 CB THR A 24 -9.798 -4.877 5.684 1.00 0.00 C ATOM 375 OG1 THR A 24 -10.988 -5.063 4.905 1.00 0.00 O ATOM 376 CG2 THR A 24 -9.916 -3.597 6.499 1.00 0.00 C ATOM 0 H THR A 24 -8.077 -6.820 4.315 1.00 0.00 H new ATOM 0 HA THR A 24 -8.641 -3.955 4.114 1.00 0.00 H new ATOM 0 HB THR A 24 -9.678 -5.717 6.368 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.767 -5.094 5.499 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.795 -3.654 7.141 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.025 -3.474 7.114 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.013 -2.745 5.826 1.00 0.00 H new ATOM 384 N ILE A 25 -6.424 -3.772 5.245 1.00 0.00 N ATOM 385 CA ILE A 25 -5.172 -3.563 5.971 1.00 0.00 C ATOM 386 C ILE A 25 -4.680 -2.118 5.842 1.00 0.00 C ATOM 387 O ILE A 25 -5.056 -1.405 4.908 1.00 0.00 O ATOM 388 CB ILE A 25 -4.078 -4.537 5.476 1.00 0.00 C ATOM 389 CG1 ILE A 25 -2.941 -4.633 6.497 1.00 0.00 C ATOM 390 CG2 ILE A 25 -3.545 -4.101 4.116 1.00 0.00 C ATOM 391 CD1 ILE A 25 -2.077 -5.863 6.322 1.00 0.00 C ATOM 0 H ILE A 25 -6.558 -3.150 4.448 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.374 -3.762 7.024 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.524 -5.526 5.366 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.315 -3.744 6.417 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.364 -4.635 7.502 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.776 -4.800 3.786 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.360 -4.089 3.392 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.117 -3.102 4.196 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.292 -5.867 7.078 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.691 -6.757 6.431 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.625 -5.852 5.330 1.00 0.00 H new ATOM 403 N SER A 26 -3.835 -1.699 6.785 1.00 0.00 N ATOM 404 CA SER A 26 -3.293 -0.342 6.796 1.00 0.00 C ATOM 405 C SER A 26 -1.768 -0.331 6.649 1.00 0.00 C ATOM 406 O SER A 26 -1.126 -1.380 6.577 1.00 0.00 O ATOM 407 CB SER A 26 -3.693 0.357 8.101 1.00 0.00 C ATOM 408 OG SER A 26 -3.174 1.672 8.164 1.00 0.00 O ATOM 0 H SER A 26 -3.510 -2.285 7.555 1.00 0.00 H new ATOM 0 HA SER A 26 -3.709 0.191 5.941 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.780 0.389 8.180 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.329 -0.220 8.951 1.00 0.00 H new ATOM 0 HG SER A 26 -2.451 1.707 8.825 1.00 0.00 H new ATOM 414 N LEU A 27 -1.207 0.879 6.598 1.00 0.00 N ATOM 415 CA LEU A 27 0.237 1.091 6.479 1.00 0.00 C ATOM 416 C LEU A 27 1.008 0.365 7.583 1.00 0.00 C ATOM 417 O LEU A 27 1.767 -0.564 7.311 1.00 0.00 O ATOM 418 CB LEU A 27 0.547 2.593 6.547 1.00 0.00 C ATOM 419 CG LEU A 27 -0.212 3.465 5.540 1.00 0.00 C ATOM 420 CD1 LEU A 27 0.266 4.908 5.615 1.00 0.00 C ATOM 421 CD2 LEU A 27 -0.050 2.921 4.128 1.00 0.00 C ATOM 0 H LEU A 27 -1.745 1.745 6.638 1.00 0.00 H new ATOM 0 HA LEU A 27 0.555 0.684 5.519 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.322 2.948 7.553 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.617 2.734 6.391 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.271 3.440 5.796 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.284 5.512 4.893 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.094 5.297 6.619 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.331 4.951 5.387 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.596 3.554 3.429 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.007 2.913 3.860 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.444 1.906 4.082 1.00 0.00 H new ATOM 433 N ASP A 28 0.799 0.795 8.827 1.00 0.00 N ATOM 434 CA ASP A 28 1.484 0.213 9.983 1.00 0.00 C ATOM 435 C ASP A 28 1.183 -1.282 10.141 1.00 0.00 C ATOM 436 O ASP A 28 2.042 -2.049 10.578 1.00 0.00 O ATOM 437 CB ASP A 28 1.078 0.963 11.256 1.00 0.00 C ATOM 438 CG ASP A 28 1.814 0.472 12.488 1.00 0.00 C ATOM 439 OD1 ASP A 28 2.933 0.962 12.747 1.00 0.00 O ATOM 440 OD2 ASP A 28 1.270 -0.403 13.195 1.00 0.00 O ATOM 0 H ASP A 28 0.155 1.551 9.062 1.00 0.00 H new ATOM 0 HA ASP A 28 2.556 0.315 9.816 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.272 2.027 11.123 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.005 0.852 11.411 1.00 0.00 H new ATOM 445 N GLU A 29 -0.035 -1.685 9.783 1.00 0.00 N ATOM 446 CA GLU A 29 -0.455 -3.080 9.906 1.00 0.00 C ATOM 447 C GLU A 29 0.125 -3.971 8.801 1.00 0.00 C ATOM 448 O GLU A 29 0.213 -5.188 8.974 1.00 0.00 O ATOM 449 CB GLU A 29 -1.985 -3.159 9.886 1.00 0.00 C ATOM 450 CG GLU A 29 -2.539 -4.560 10.104 1.00 0.00 C ATOM 451 CD GLU A 29 -2.181 -5.128 11.465 1.00 0.00 C ATOM 452 OE1 GLU A 29 -2.916 -4.853 12.436 1.00 0.00 O ATOM 453 OE2 GLU A 29 -1.166 -5.850 11.558 1.00 0.00 O ATOM 0 H GLU A 29 -0.750 -1.064 9.405 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.069 -3.453 10.855 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.382 -2.499 10.657 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.345 -2.783 8.928 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.624 -4.537 9.999 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.157 -5.222 9.327 1.00 0.00 H new ATOM 460 N LEU A 30 0.527 -3.378 7.672 1.00 0.00 N ATOM 461 CA LEU A 30 1.064 -4.165 6.559 1.00 0.00 C ATOM 462 C LEU A 30 2.582 -4.017 6.404 1.00 0.00 C ATOM 463 O LEU A 30 3.261 -4.977 6.038 1.00 0.00 O ATOM 464 CB LEU A 30 0.341 -3.792 5.258 1.00 0.00 C ATOM 465 CG LEU A 30 0.818 -4.516 3.993 1.00 0.00 C ATOM 466 CD1 LEU A 30 -0.323 -4.650 2.995 1.00 0.00 C ATOM 467 CD2 LEU A 30 1.985 -3.773 3.363 1.00 0.00 C ATOM 0 H LEU A 30 0.492 -2.372 7.506 1.00 0.00 H new ATOM 0 HA LEU A 30 0.881 -5.215 6.786 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.723 -3.991 5.387 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.448 -2.719 5.101 1.00 0.00 H new ATOM 0 HG LEU A 30 1.153 -5.514 4.274 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.032 -5.166 2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.135 -5.221 3.445 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.685 -3.659 2.721 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.311 -4.301 2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.672 -2.763 3.096 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.810 -3.722 4.074 1.00 0.00 H new ATOM 479 N PHE A 31 3.115 -2.825 6.691 1.00 0.00 N ATOM 480 CA PHE A 31 4.562 -2.617 6.565 1.00 0.00 C ATOM 481 C PHE A 31 5.255 -2.872 7.900 1.00 0.00 C ATOM 482 O PHE A 31 4.752 -2.475 8.953 1.00 0.00 O ATOM 483 CB PHE A 31 4.895 -1.220 6.034 1.00 0.00 C ATOM 484 CG PHE A 31 4.140 -0.861 4.789 1.00 0.00 C ATOM 485 CD1 PHE A 31 4.404 -1.506 3.593 1.00 0.00 C ATOM 486 CD2 PHE A 31 3.157 0.113 4.820 1.00 0.00 C ATOM 487 CE1 PHE A 31 3.699 -1.185 2.450 1.00 0.00 C ATOM 488 CE2 PHE A 31 2.452 0.439 3.682 1.00 0.00 C ATOM 489 CZ PHE A 31 2.721 -0.212 2.496 1.00 0.00 C ATOM 0 H PHE A 31 2.585 -2.011 7.003 1.00 0.00 H new ATOM 0 HA PHE A 31 4.936 -3.335 5.835 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.677 -0.484 6.808 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.964 -1.162 5.831 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.169 -2.268 3.554 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.940 0.623 5.747 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.912 -1.694 1.522 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.690 1.203 3.718 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.167 0.039 1.604 1.00 0.00 H new ATOM 499 N SER A 32 6.411 -3.534 7.853 1.00 0.00 N ATOM 500 CA SER A 32 7.157 -3.857 9.069 1.00 0.00 C ATOM 501 C SER A 32 8.649 -3.536 8.920 1.00 0.00 C ATOM 502 O SER A 32 9.485 -4.133 9.603 1.00 0.00 O ATOM 503 CB SER A 32 6.992 -5.349 9.375 1.00 0.00 C ATOM 504 OG SER A 32 5.626 -5.687 9.552 1.00 0.00 O ATOM 0 H SER A 32 6.850 -3.856 6.990 1.00 0.00 H new ATOM 0 HA SER A 32 6.760 -3.250 9.883 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.413 -5.939 8.561 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.552 -5.603 10.275 1.00 0.00 H new ATOM 0 HG SER A 32 5.548 -6.645 9.744 1.00 0.00 H new ATOM 510 N SER A 33 8.984 -2.588 8.042 1.00 0.00 N ATOM 511 CA SER A 33 10.379 -2.212 7.821 1.00 0.00 C ATOM 512 C SER A 33 10.497 -0.792 7.271 1.00 0.00 C ATOM 513 O SER A 33 9.763 -0.409 6.357 1.00 0.00 O ATOM 514 CB SER A 33 11.052 -3.206 6.869 1.00 0.00 C ATOM 515 OG SER A 33 12.377 -2.808 6.559 1.00 0.00 O ATOM 0 H SER A 33 8.312 -2.070 7.476 1.00 0.00 H new ATOM 0 HA SER A 33 10.887 -2.239 8.785 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.065 -4.196 7.324 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.470 -3.284 5.951 1.00 0.00 H new ATOM 0 HG SER A 33 12.781 -3.462 5.951 1.00 0.00 H new ATOM 521 N ARG A 34 11.425 -0.017 7.836 1.00 0.00 N ATOM 522 CA ARG A 34 11.654 1.359 7.399 1.00 0.00 C ATOM 523 C ARG A 34 12.137 1.385 5.951 1.00 0.00 C ATOM 524 O ARG A 34 11.597 2.121 5.122 1.00 0.00 O ATOM 525 CB ARG A 34 12.679 2.042 8.308 1.00 0.00 C ATOM 526 CG ARG A 34 12.788 3.543 8.090 1.00 0.00 C ATOM 527 CD ARG A 34 13.713 4.191 9.111 1.00 0.00 C ATOM 528 NE ARG A 34 13.826 5.636 8.912 1.00 0.00 N ATOM 529 CZ ARG A 34 14.374 6.475 9.796 1.00 0.00 C ATOM 530 NH1 ARG A 34 14.866 6.020 10.946 1.00 0.00 N ATOM 531 NH2 ARG A 34 14.431 7.775 9.527 1.00 0.00 N ATOM 0 H ARG A 34 12.030 -0.321 8.599 1.00 0.00 H new ATOM 0 HA ARG A 34 10.711 1.903 7.462 1.00 0.00 H new ATOM 0 HB2 ARG A 34 12.411 1.854 9.348 1.00 0.00 H new ATOM 0 HB3 ARG A 34 13.656 1.588 8.143 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.160 3.739 7.085 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.798 3.994 8.157 1.00 0.00 H new ATOM 0 HD2 ARG A 34 13.340 3.992 10.116 1.00 0.00 H new ATOM 0 HD3 ARG A 34 14.702 3.738 9.043 1.00 0.00 H new ATOM 0 HE ARG A 34 13.463 6.028 8.043 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.827 5.023 11.159 1.00 0.00 H new ATOM 0 HH12 ARG A 34 15.282 6.668 11.615 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.057 8.131 8.647 1.00 0.00 H new ATOM 0 HH22 ARG A 34 14.849 8.417 10.200 1.00 0.00 H new ATOM 545 N GLY A 35 13.161 0.578 5.657 1.00 0.00 N ATOM 546 CA GLY A 35 13.694 0.505 4.306 1.00 0.00 C ATOM 547 C GLY A 35 12.661 0.009 3.311 1.00 0.00 C ATOM 548 O GLY A 35 12.608 0.486 2.177 1.00 0.00 O ATOM 0 H GLY A 35 13.629 -0.026 6.333 1.00 0.00 H new ATOM 0 HA2 GLY A 35 14.046 1.491 4.002 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.558 -0.160 4.293 1.00 0.00 H new ATOM 552 N GLU A 36 11.844 -0.961 3.734 1.00 0.00 N ATOM 553 CA GLU A 36 10.791 -1.496 2.878 1.00 0.00 C ATOM 554 C GLU A 36 9.822 -0.379 2.500 1.00 0.00 C ATOM 555 O GLU A 36 9.393 -0.280 1.350 1.00 0.00 O ATOM 556 CB GLU A 36 10.041 -2.629 3.585 1.00 0.00 C ATOM 557 CG GLU A 36 8.936 -3.254 2.747 1.00 0.00 C ATOM 558 CD GLU A 36 9.444 -3.853 1.446 1.00 0.00 C ATOM 559 OE1 GLU A 36 9.876 -5.024 1.462 1.00 0.00 O ATOM 560 OE2 GLU A 36 9.404 -3.152 0.414 1.00 0.00 O ATOM 0 H GLU A 36 11.894 -1.387 4.659 1.00 0.00 H new ATOM 0 HA GLU A 36 11.246 -1.901 1.974 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.754 -3.404 3.865 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.609 -2.245 4.509 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.441 -4.031 3.330 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.185 -2.497 2.523 1.00 0.00 H new ATOM 567 N PHE A 37 9.488 0.463 3.486 1.00 0.00 N ATOM 568 CA PHE A 37 8.593 1.598 3.270 1.00 0.00 C ATOM 569 C PHE A 37 9.151 2.496 2.164 1.00 0.00 C ATOM 570 O PHE A 37 8.409 2.969 1.302 1.00 0.00 O ATOM 571 CB PHE A 37 8.425 2.392 4.568 1.00 0.00 C ATOM 572 CG PHE A 37 7.132 3.152 4.656 1.00 0.00 C ATOM 573 CD1 PHE A 37 5.999 2.554 5.185 1.00 0.00 C ATOM 574 CD2 PHE A 37 7.049 4.463 4.214 1.00 0.00 C ATOM 575 CE1 PHE A 37 4.808 3.249 5.273 1.00 0.00 C ATOM 576 CE2 PHE A 37 5.860 5.163 4.300 1.00 0.00 C ATOM 577 CZ PHE A 37 4.739 4.555 4.831 1.00 0.00 C ATOM 0 H PHE A 37 9.828 0.376 4.444 1.00 0.00 H new ATOM 0 HA PHE A 37 7.615 1.227 2.962 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.490 1.706 5.413 1.00 0.00 H new ATOM 0 HB3 PHE A 37 9.254 3.093 4.663 1.00 0.00 H new ATOM 0 HD1 PHE A 37 6.048 1.533 5.533 1.00 0.00 H new ATOM 0 HD2 PHE A 37 7.923 4.943 3.798 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.932 2.771 5.687 1.00 0.00 H new ATOM 0 HE2 PHE A 37 5.808 6.184 3.952 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.810 5.101 4.900 1.00 0.00 H new ATOM 587 N ILE A 38 10.462 2.749 2.213 1.00 0.00 N ATOM 588 CA ILE A 38 11.131 3.558 1.198 1.00 0.00 C ATOM 589 C ILE A 38 10.878 2.997 -0.203 1.00 0.00 C ATOM 590 O ILE A 38 10.464 3.732 -1.100 1.00 0.00 O ATOM 591 CB ILE A 38 12.656 3.634 1.452 1.00 0.00 C ATOM 592 CG1 ILE A 38 12.938 4.269 2.819 1.00 0.00 C ATOM 593 CG2 ILE A 38 13.352 4.419 0.345 1.00 0.00 C ATOM 594 CD1 ILE A 38 12.270 5.616 3.020 1.00 0.00 C ATOM 0 H ILE A 38 11.080 2.403 2.947 1.00 0.00 H new ATOM 0 HA ILE A 38 10.714 4.563 1.263 1.00 0.00 H new ATOM 0 HB ILE A 38 13.054 2.619 1.450 1.00 0.00 H new ATOM 0 HG12 ILE A 38 12.603 3.588 3.601 1.00 0.00 H new ATOM 0 HG13 ILE A 38 14.015 4.387 2.939 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.423 4.459 0.545 1.00 0.00 H new ATOM 0 HG22 ILE A 38 13.180 3.928 -0.613 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.951 5.432 0.310 1.00 0.00 H new ATOM 0 HD11 ILE A 38 12.517 6.000 4.010 1.00 0.00 H new ATOM 0 HD12 ILE A 38 12.623 6.314 2.261 1.00 0.00 H new ATOM 0 HD13 ILE A 38 11.189 5.503 2.934 1.00 0.00 H new ATOM 606 N SER A 39 11.129 1.693 -0.383 1.00 0.00 N ATOM 607 CA SER A 39 10.923 1.053 -1.684 1.00 0.00 C ATOM 608 C SER A 39 9.456 1.157 -2.097 1.00 0.00 C ATOM 609 O SER A 39 9.138 1.826 -3.082 1.00 0.00 O ATOM 610 CB SER A 39 11.367 -0.414 -1.647 1.00 0.00 C ATOM 611 OG SER A 39 12.739 -0.523 -1.312 1.00 0.00 O ATOM 0 H SER A 39 11.471 1.069 0.348 1.00 0.00 H new ATOM 0 HA SER A 39 11.533 1.573 -2.423 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.767 -0.961 -0.919 1.00 0.00 H new ATOM 0 HB3 SER A 39 11.189 -0.876 -2.618 1.00 0.00 H new ATOM 0 HG SER A 39 12.997 -1.468 -1.293 1.00 0.00 H new ATOM 617 N VAL A 40 8.574 0.467 -1.356 1.00 0.00 N ATOM 618 CA VAL A 40 7.134 0.447 -1.648 1.00 0.00 C ATOM 619 C VAL A 40 6.602 1.752 -2.246 1.00 0.00 C ATOM 620 O VAL A 40 5.771 1.711 -3.154 1.00 0.00 O ATOM 621 CB VAL A 40 6.285 0.071 -0.409 1.00 0.00 C ATOM 622 CG1 VAL A 40 6.590 -1.349 0.046 1.00 0.00 C ATOM 623 CG2 VAL A 40 6.505 1.054 0.728 1.00 0.00 C ATOM 0 H VAL A 40 8.838 -0.089 -0.543 1.00 0.00 H new ATOM 0 HA VAL A 40 7.029 -0.329 -2.406 1.00 0.00 H new ATOM 0 HB VAL A 40 5.236 0.122 -0.699 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.982 -1.590 0.918 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.362 -2.046 -0.760 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.645 -1.429 0.307 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.895 0.763 1.583 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.557 1.050 1.014 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.221 2.055 0.404 1.00 0.00 H new ATOM 633 N GLY A 41 7.068 2.905 -1.754 1.00 0.00 N ATOM 634 CA GLY A 41 6.600 4.177 -2.282 1.00 0.00 C ATOM 635 C GLY A 41 6.190 5.142 -1.182 1.00 0.00 C ATOM 636 O GLY A 41 5.179 5.835 -1.308 1.00 0.00 O ATOM 0 H GLY A 41 7.756 2.978 -1.005 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.388 4.630 -2.884 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.752 4.003 -2.944 1.00 0.00 H new ATOM 640 N GLY A 42 6.981 5.195 -0.103 1.00 0.00 N ATOM 641 CA GLY A 42 6.664 6.068 1.014 1.00 0.00 C ATOM 642 C GLY A 42 7.753 7.079 1.313 1.00 0.00 C ATOM 643 O GLY A 42 8.719 6.772 2.015 1.00 0.00 O ATOM 0 H GLY A 42 7.834 4.647 0.012 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.735 6.597 0.800 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.488 5.461 1.902 1.00 0.00 H new ATOM 647 N ASP A 43 7.594 8.285 0.773 1.00 0.00 N ATOM 648 CA ASP A 43 8.527 9.376 1.041 1.00 0.00 C ATOM 649 C ASP A 43 8.072 10.100 2.309 1.00 0.00 C ATOM 650 O ASP A 43 8.641 9.887 3.382 1.00 0.00 O ATOM 651 CB ASP A 43 8.595 10.341 -0.147 1.00 0.00 C ATOM 652 CG ASP A 43 9.239 9.712 -1.368 1.00 0.00 C ATOM 653 OD1 ASP A 43 8.515 9.070 -2.157 1.00 0.00 O ATOM 654 OD2 ASP A 43 10.468 9.862 -1.534 1.00 0.00 O ATOM 0 H ASP A 43 6.827 8.531 0.147 1.00 0.00 H new ATOM 0 HA ASP A 43 9.530 8.975 1.187 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.588 10.672 -0.401 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.159 11.228 0.141 1.00 0.00 H new ATOM 659 N GLY A 44 7.049 10.952 2.194 1.00 0.00 N ATOM 660 CA GLY A 44 6.560 11.681 3.354 1.00 0.00 C ATOM 661 C GLY A 44 5.103 12.078 3.231 1.00 0.00 C ATOM 662 O GLY A 44 4.252 11.540 3.934 1.00 0.00 O ATOM 0 H GLY A 44 6.555 11.148 1.323 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.690 11.066 4.244 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.165 12.577 3.495 1.00 0.00 H new ATOM 666 N ARG A 45 4.816 13.026 2.343 1.00 0.00 N ATOM 667 CA ARG A 45 3.449 13.491 2.139 1.00 0.00 C ATOM 668 C ARG A 45 2.750 12.655 1.072 1.00 0.00 C ATOM 669 O ARG A 45 2.948 12.869 -0.127 1.00 0.00 O ATOM 670 CB ARG A 45 3.435 14.973 1.747 1.00 0.00 C ATOM 671 CG ARG A 45 3.806 15.914 2.887 1.00 0.00 C ATOM 672 CD ARG A 45 5.291 15.860 3.215 1.00 0.00 C ATOM 673 NE ARG A 45 6.127 16.232 2.071 1.00 0.00 N ATOM 674 CZ ARG A 45 7.419 15.912 1.955 1.00 0.00 C ATOM 675 NH1 ARG A 45 8.032 15.211 2.905 1.00 0.00 N ATOM 676 NH2 ARG A 45 8.101 16.295 0.881 1.00 0.00 N ATOM 0 H ARG A 45 5.511 13.486 1.755 1.00 0.00 H new ATOM 0 HA ARG A 45 2.908 13.376 3.078 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.129 15.127 0.921 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.441 15.233 1.382 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.532 16.934 2.618 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.230 15.652 3.774 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.501 16.530 4.049 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.552 14.853 3.541 1.00 0.00 H new ATOM 0 HE ARG A 45 5.697 16.768 1.317 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.515 14.912 3.732 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.019 14.972 2.806 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.638 16.832 0.148 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.087 16.052 0.790 1.00 0.00 H new ATOM 690 N MET A 46 1.939 11.695 1.517 1.00 0.00 N ATOM 691 CA MET A 46 1.205 10.825 0.603 1.00 0.00 C ATOM 692 C MET A 46 -0.127 11.465 0.211 1.00 0.00 C ATOM 693 O MET A 46 -0.546 12.461 0.808 1.00 0.00 O ATOM 694 CB MET A 46 0.964 9.458 1.253 1.00 0.00 C ATOM 695 CG MET A 46 0.898 8.309 0.259 1.00 0.00 C ATOM 696 SD MET A 46 2.458 7.410 0.123 1.00 0.00 S ATOM 697 CE MET A 46 3.558 8.708 -0.438 1.00 0.00 C ATOM 0 H MET A 46 1.775 11.502 2.505 1.00 0.00 H new ATOM 0 HA MET A 46 1.802 10.686 -0.298 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.762 9.261 1.969 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.031 9.493 1.816 1.00 0.00 H new ATOM 0 HG2 MET A 46 0.111 7.618 0.561 1.00 0.00 H new ATOM 0 HG3 MET A 46 0.622 8.698 -0.721 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.535 8.283 -0.669 1.00 0.00 H new ATOM 0 HE2 MET A 46 3.144 9.174 -1.332 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.665 9.458 0.346 1.00 0.00 H new ATOM 707 N SER A 47 -0.790 10.892 -0.793 1.00 0.00 N ATOM 708 CA SER A 47 -2.065 11.423 -1.264 1.00 0.00 C ATOM 709 C SER A 47 -3.254 10.792 -0.541 1.00 0.00 C ATOM 710 O SER A 47 -3.905 11.434 0.285 1.00 0.00 O ATOM 711 CB SER A 47 -2.208 11.205 -2.776 1.00 0.00 C ATOM 712 OG SER A 47 -3.389 11.812 -3.272 1.00 0.00 O ATOM 0 H SER A 47 -0.466 10.064 -1.293 1.00 0.00 H new ATOM 0 HA SER A 47 -2.068 12.491 -1.044 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.340 11.619 -3.289 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.227 10.137 -2.992 1.00 0.00 H new ATOM 0 HG SER A 47 -3.454 11.659 -4.238 1.00 0.00 H new ATOM 718 N HIS A 48 -3.516 9.526 -0.862 1.00 0.00 N ATOM 719 CA HIS A 48 -4.650 8.781 -0.320 1.00 0.00 C ATOM 720 C HIS A 48 -4.681 7.381 -0.924 1.00 0.00 C ATOM 721 O HIS A 48 -4.637 6.390 -0.193 1.00 0.00 O ATOM 722 CB HIS A 48 -5.958 9.513 -0.649 1.00 0.00 C ATOM 723 CG HIS A 48 -7.191 8.740 -0.291 1.00 0.00 C ATOM 724 ND1 HIS A 48 -7.725 8.720 0.980 1.00 0.00 N ATOM 725 CD2 HIS A 48 -7.994 7.953 -1.046 1.00 0.00 C ATOM 726 CE1 HIS A 48 -8.801 7.953 0.992 1.00 0.00 C ATOM 727 NE2 HIS A 48 -8.986 7.477 -0.224 1.00 0.00 N ATOM 0 H HIS A 48 -2.943 8.985 -1.510 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.544 8.705 0.762 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -5.972 10.467 -0.121 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -5.979 9.739 -1.715 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -7.876 7.740 -2.098 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -9.423 7.750 1.851 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -9.743 6.856 -0.508 1.00 0.00 H new ATOM 736 N LYS A 49 -4.759 7.294 -2.250 1.00 0.00 N ATOM 737 CA LYS A 49 -4.743 6.004 -2.930 1.00 0.00 C ATOM 738 C LYS A 49 -3.329 5.421 -2.933 1.00 0.00 C ATOM 739 O LYS A 49 -3.154 4.203 -2.987 1.00 0.00 O ATOM 740 CB LYS A 49 -5.244 6.161 -4.366 1.00 0.00 C ATOM 741 CG LYS A 49 -6.759 6.128 -4.493 1.00 0.00 C ATOM 742 CD LYS A 49 -7.321 4.766 -4.111 1.00 0.00 C ATOM 743 CE LYS A 49 -8.837 4.727 -4.238 1.00 0.00 C ATOM 744 NZ LYS A 49 -9.505 5.623 -3.253 1.00 0.00 N ATOM 0 H LYS A 49 -4.834 8.099 -2.872 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.403 5.321 -2.395 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.875 7.104 -4.769 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.820 5.365 -4.978 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.196 6.895 -3.854 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.045 6.366 -5.518 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.882 3.999 -4.750 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.035 4.529 -3.086 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.123 5.021 -5.248 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.186 3.705 -4.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.533 5.465 -3.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.149 5.416 -2.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.300 6.614 -3.491 1.00 0.00 H new ATOM 758 N GLU A 50 -2.327 6.302 -2.874 1.00 0.00 N ATOM 759 CA GLU A 50 -0.925 5.895 -2.883 1.00 0.00 C ATOM 760 C GLU A 50 -0.554 5.096 -1.634 1.00 0.00 C ATOM 761 O GLU A 50 -0.049 3.979 -1.741 1.00 0.00 O ATOM 762 CB GLU A 50 -0.025 7.130 -2.983 1.00 0.00 C ATOM 763 CG GLU A 50 -0.172 7.898 -4.288 1.00 0.00 C ATOM 764 CD GLU A 50 0.811 9.046 -4.398 1.00 0.00 C ATOM 765 OE1 GLU A 50 0.588 10.086 -3.742 1.00 0.00 O ATOM 766 OE2 GLU A 50 1.808 8.905 -5.138 1.00 0.00 O ATOM 0 H GLU A 50 -2.466 7.311 -2.819 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.776 5.252 -3.750 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.250 7.799 -2.152 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.014 6.820 -2.871 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.025 7.216 -5.126 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.188 8.285 -4.366 1.00 0.00 H new ATOM 773 N ALA A 51 -0.813 5.673 -0.454 1.00 0.00 N ATOM 774 CA ALA A 51 -0.482 5.024 0.818 1.00 0.00 C ATOM 775 C ALA A 51 -0.924 3.565 0.834 1.00 0.00 C ATOM 776 O ALA A 51 -0.098 2.680 1.064 1.00 0.00 O ATOM 777 CB ALA A 51 -1.094 5.785 1.987 1.00 0.00 C ATOM 0 H ALA A 51 -1.251 6.589 -0.355 1.00 0.00 H new ATOM 0 HA ALA A 51 0.603 5.041 0.924 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.836 5.286 2.921 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.707 6.804 2.001 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.178 5.811 1.877 1.00 0.00 H new ATOM 783 N ILE A 52 -2.208 3.299 0.597 1.00 0.00 N ATOM 784 CA ILE A 52 -2.688 1.920 0.621 1.00 0.00 C ATOM 785 C ILE A 52 -1.953 1.095 -0.436 1.00 0.00 C ATOM 786 O ILE A 52 -1.487 -0.010 -0.152 1.00 0.00 O ATOM 787 CB ILE A 52 -4.215 1.825 0.419 1.00 0.00 C ATOM 788 CG1 ILE A 52 -4.947 2.617 1.509 1.00 0.00 C ATOM 789 CG2 ILE A 52 -4.669 0.370 0.411 1.00 0.00 C ATOM 790 CD1 ILE A 52 -4.704 2.101 2.912 1.00 0.00 C ATOM 0 H ILE A 52 -2.918 4.001 0.391 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.475 1.515 1.610 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.463 2.261 -0.549 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.635 3.660 1.457 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.017 2.594 1.304 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.749 0.327 0.267 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.173 -0.161 -0.401 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.410 -0.097 1.361 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.256 2.713 3.625 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.042 1.067 2.983 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.639 2.151 3.139 1.00 0.00 H new ATOM 802 N LEU A 53 -1.860 1.636 -1.653 1.00 0.00 N ATOM 803 CA LEU A 53 -1.250 0.914 -2.772 1.00 0.00 C ATOM 804 C LEU A 53 0.159 0.402 -2.460 1.00 0.00 C ATOM 805 O LEU A 53 0.577 -0.617 -3.014 1.00 0.00 O ATOM 806 CB LEU A 53 -1.260 1.767 -4.042 1.00 0.00 C ATOM 807 CG LEU A 53 -0.753 1.077 -5.312 1.00 0.00 C ATOM 808 CD1 LEU A 53 -1.704 -0.031 -5.738 1.00 0.00 C ATOM 809 CD2 LEU A 53 -0.576 2.092 -6.431 1.00 0.00 C ATOM 0 H LEU A 53 -2.198 2.569 -1.888 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.864 0.030 -2.942 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.280 2.109 -4.219 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.652 2.654 -3.866 1.00 0.00 H new ATOM 0 HG LEU A 53 0.216 0.628 -5.097 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.325 -0.508 -6.642 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.780 -0.771 -4.942 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.689 0.391 -5.936 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.215 1.587 -7.327 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.533 2.569 -6.644 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.147 2.848 -6.125 1.00 0.00 H new ATOM 821 N LEU A 54 0.897 1.101 -1.592 1.00 0.00 N ATOM 822 CA LEU A 54 2.248 0.678 -1.214 1.00 0.00 C ATOM 823 C LEU A 54 2.278 -0.796 -0.781 1.00 0.00 C ATOM 824 O LEU A 54 3.274 -1.490 -1.001 1.00 0.00 O ATOM 825 CB LEU A 54 2.782 1.559 -0.082 1.00 0.00 C ATOM 826 CG LEU A 54 3.608 2.777 -0.503 1.00 0.00 C ATOM 827 CD1 LEU A 54 2.792 3.713 -1.381 1.00 0.00 C ATOM 828 CD2 LEU A 54 4.115 3.513 0.728 1.00 0.00 C ATOM 0 H LEU A 54 0.583 1.959 -1.140 1.00 0.00 H new ATOM 0 HA LEU A 54 2.885 0.787 -2.092 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.935 1.908 0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.395 0.940 0.573 1.00 0.00 H new ATOM 0 HG LEU A 54 4.461 2.428 -1.085 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.403 4.570 -1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.470 3.183 -2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.917 4.058 -0.830 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.702 4.378 0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.268 3.845 1.328 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.739 2.844 1.320 1.00 0.00 H new ATOM 840 N GLY A 55 1.185 -1.262 -0.156 1.00 0.00 N ATOM 841 CA GLY A 55 1.100 -2.644 0.312 1.00 0.00 C ATOM 842 C GLY A 55 1.526 -3.663 -0.731 1.00 0.00 C ATOM 843 O GLY A 55 2.231 -4.619 -0.410 1.00 0.00 O ATOM 0 H GLY A 55 0.355 -0.701 0.034 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.725 -2.759 1.197 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.075 -2.854 0.616 1.00 0.00 H new ATOM 847 N LEU A 56 1.084 -3.469 -1.979 1.00 0.00 N ATOM 848 CA LEU A 56 1.427 -4.383 -3.073 1.00 0.00 C ATOM 849 C LEU A 56 2.933 -4.632 -3.133 1.00 0.00 C ATOM 850 O LEU A 56 3.370 -5.776 -3.252 1.00 0.00 O ATOM 851 CB LEU A 56 0.947 -3.830 -4.418 1.00 0.00 C ATOM 852 CG LEU A 56 -0.535 -3.441 -4.485 1.00 0.00 C ATOM 853 CD1 LEU A 56 -0.954 -3.190 -5.925 1.00 0.00 C ATOM 854 CD2 LEU A 56 -1.404 -4.519 -3.850 1.00 0.00 C ATOM 0 H LEU A 56 0.489 -2.688 -2.256 1.00 0.00 H new ATOM 0 HA LEU A 56 0.922 -5.329 -2.876 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.546 -2.953 -4.664 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.143 -4.576 -5.188 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.674 -2.518 -3.921 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.008 -2.915 -5.954 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.356 -2.380 -6.342 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.798 -4.095 -6.512 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.451 -4.223 -3.908 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.263 -5.460 -4.382 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.120 -4.646 -2.805 1.00 0.00 H new ATOM 866 N ARG A 57 3.719 -3.558 -3.057 1.00 0.00 N ATOM 867 CA ARG A 57 5.177 -3.665 -3.101 1.00 0.00 C ATOM 868 C ARG A 57 5.706 -4.500 -1.931 1.00 0.00 C ATOM 869 O ARG A 57 6.650 -5.277 -2.094 1.00 0.00 O ATOM 870 CB ARG A 57 5.813 -2.271 -3.086 1.00 0.00 C ATOM 871 CG ARG A 57 5.995 -1.657 -4.469 1.00 0.00 C ATOM 872 CD ARG A 57 4.679 -1.546 -5.226 1.00 0.00 C ATOM 873 NE ARG A 57 3.817 -0.486 -4.696 1.00 0.00 N ATOM 874 CZ ARG A 57 3.627 0.698 -5.289 1.00 0.00 C ATOM 875 NH1 ARG A 57 4.269 1.010 -6.413 1.00 0.00 N ATOM 876 NH2 ARG A 57 2.792 1.579 -4.749 1.00 0.00 N ATOM 0 H ARG A 57 3.370 -2.604 -2.965 1.00 0.00 H new ATOM 0 HA ARG A 57 5.450 -4.170 -4.028 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.193 -1.607 -2.484 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.785 -2.332 -2.596 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.440 -0.667 -4.369 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.694 -2.264 -5.045 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.884 -1.351 -6.279 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.152 -2.499 -5.175 1.00 0.00 H new ATOM 0 HE ARG A 57 3.330 -0.663 -3.817 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.916 0.342 -6.833 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.114 1.917 -6.854 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.299 1.351 -3.886 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.644 2.483 -5.198 1.00 0.00 H new ATOM 890 N TYR A 58 5.092 -4.337 -0.756 1.00 0.00 N ATOM 891 CA TYR A 58 5.487 -5.089 0.437 1.00 0.00 C ATOM 892 C TYR A 58 5.158 -6.574 0.274 1.00 0.00 C ATOM 893 O TYR A 58 5.996 -7.441 0.530 1.00 0.00 O ATOM 894 CB TYR A 58 4.768 -4.534 1.673 1.00 0.00 C ATOM 895 CG TYR A 58 5.047 -5.308 2.947 1.00 0.00 C ATOM 896 CD1 TYR A 58 4.283 -6.418 3.288 1.00 0.00 C ATOM 897 CD2 TYR A 58 6.073 -4.929 3.804 1.00 0.00 C ATOM 898 CE1 TYR A 58 4.534 -7.129 4.445 1.00 0.00 C ATOM 899 CE2 TYR A 58 6.329 -5.635 4.964 1.00 0.00 C ATOM 900 CZ TYR A 58 5.557 -6.735 5.281 1.00 0.00 C ATOM 901 OH TYR A 58 5.807 -7.441 6.437 1.00 0.00 O ATOM 0 H TYR A 58 4.318 -3.690 -0.606 1.00 0.00 H new ATOM 0 HA TYR A 58 6.564 -4.981 0.567 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.066 -3.495 1.818 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.694 -4.535 1.487 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.480 -6.730 2.637 1.00 0.00 H new ATOM 0 HD2 TYR A 58 6.680 -4.070 3.560 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.931 -7.990 4.694 1.00 0.00 H new ATOM 0 HE2 TYR A 58 7.130 -5.328 5.620 1.00 0.00 H new ATOM 0 HH TYR A 58 6.688 -7.194 6.787 1.00 0.00 H new ATOM 911 N LYS A 59 3.924 -6.847 -0.157 1.00 0.00 N ATOM 912 CA LYS A 59 3.448 -8.213 -0.371 1.00 0.00 C ATOM 913 C LYS A 59 4.094 -8.856 -1.601 1.00 0.00 C ATOM 914 O LYS A 59 4.047 -10.078 -1.758 1.00 0.00 O ATOM 915 CB LYS A 59 1.924 -8.214 -0.526 1.00 0.00 C ATOM 916 CG LYS A 59 1.180 -7.735 0.713 1.00 0.00 C ATOM 917 CD LYS A 59 1.436 -8.643 1.908 1.00 0.00 C ATOM 918 CE LYS A 59 0.730 -8.135 3.156 1.00 0.00 C ATOM 919 NZ LYS A 59 0.960 -9.024 4.329 1.00 0.00 N ATOM 0 H LYS A 59 3.230 -6.129 -0.366 1.00 0.00 H new ATOM 0 HA LYS A 59 3.732 -8.803 0.500 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.653 -7.578 -1.369 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.594 -9.224 -0.769 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.491 -6.719 0.955 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.111 -7.700 0.505 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.093 -9.652 1.680 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.508 -8.706 2.095 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.083 -7.130 3.388 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.340 -8.060 2.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.462 -8.641 5.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.600 -9.977 4.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.979 -9.075 4.531 1.00 0.00 H new ATOM 933 N LYS A 60 4.689 -8.032 -2.474 1.00 0.00 N ATOM 934 CA LYS A 60 5.348 -8.518 -3.687 1.00 0.00 C ATOM 935 C LYS A 60 4.318 -8.997 -4.713 1.00 0.00 C ATOM 936 O LYS A 60 4.253 -10.184 -5.042 1.00 0.00 O ATOM 937 CB LYS A 60 6.343 -9.635 -3.353 1.00 0.00 C ATOM 938 CG LYS A 60 7.315 -9.263 -2.244 1.00 0.00 C ATOM 939 CD LYS A 60 8.321 -10.371 -1.988 1.00 0.00 C ATOM 940 CE LYS A 60 9.261 -10.015 -0.847 1.00 0.00 C ATOM 941 NZ LYS A 60 10.193 -8.911 -1.211 1.00 0.00 N ATOM 0 H LYS A 60 4.726 -7.019 -2.358 1.00 0.00 H new ATOM 0 HA LYS A 60 5.902 -7.689 -4.127 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.791 -10.528 -3.059 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.907 -9.890 -4.250 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.842 -8.347 -2.513 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.761 -9.055 -1.329 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.794 -11.295 -1.752 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.899 -10.556 -2.893 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.677 -9.722 0.025 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.837 -10.896 -0.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.881 -8.770 -0.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.697 -9.157 -2.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.653 -8.034 -1.357 1.00 0.00 H new ATOM 955 N LEU A 61 3.513 -8.055 -5.210 1.00 0.00 N ATOM 956 CA LEU A 61 2.479 -8.371 -6.203 1.00 0.00 C ATOM 957 C LEU A 61 1.873 -7.110 -6.834 1.00 0.00 C ATOM 958 O LEU A 61 0.709 -7.113 -7.235 1.00 0.00 O ATOM 959 CB LEU A 61 1.378 -9.230 -5.566 1.00 0.00 C ATOM 960 CG LEU A 61 1.043 -8.899 -4.105 1.00 0.00 C ATOM 961 CD1 LEU A 61 0.557 -7.464 -3.969 1.00 0.00 C ATOM 962 CD2 LEU A 61 0.001 -9.866 -3.565 1.00 0.00 C ATOM 0 H LEU A 61 3.555 -7.071 -4.944 1.00 0.00 H new ATOM 0 HA LEU A 61 2.959 -8.933 -7.004 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.471 -9.126 -6.161 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.679 -10.276 -5.623 1.00 0.00 H new ATOM 0 HG LEU A 61 1.955 -9.005 -3.517 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.327 -7.255 -2.924 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.335 -6.782 -4.312 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.340 -7.325 -4.573 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.224 -9.616 -2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.908 -9.792 -4.162 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.387 -10.884 -3.617 1.00 0.00 H new ATOM 974 N TYR A 62 2.667 -6.045 -6.948 1.00 0.00 N ATOM 975 CA TYR A 62 2.197 -4.787 -7.536 1.00 0.00 C ATOM 976 C TYR A 62 1.759 -4.952 -9.001 1.00 0.00 C ATOM 977 O TYR A 62 1.058 -4.093 -9.540 1.00 0.00 O ATOM 978 CB TYR A 62 3.303 -3.730 -7.437 1.00 0.00 C ATOM 979 CG TYR A 62 2.892 -2.357 -7.924 1.00 0.00 C ATOM 980 CD1 TYR A 62 1.939 -1.615 -7.242 1.00 0.00 C ATOM 981 CD2 TYR A 62 3.465 -1.803 -9.062 1.00 0.00 C ATOM 982 CE1 TYR A 62 1.566 -0.360 -7.679 1.00 0.00 C ATOM 983 CE2 TYR A 62 3.098 -0.547 -9.506 1.00 0.00 C ATOM 984 CZ TYR A 62 2.147 0.170 -8.810 1.00 0.00 C ATOM 985 OH TYR A 62 1.779 1.424 -9.245 1.00 0.00 O ATOM 0 H TYR A 62 3.640 -6.027 -6.641 1.00 0.00 H new ATOM 0 HA TYR A 62 1.320 -4.468 -6.972 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.626 -3.654 -6.399 1.00 0.00 H new ATOM 0 HB3 TYR A 62 4.164 -4.066 -8.015 1.00 0.00 H new ATOM 0 HD1 TYR A 62 1.481 -2.026 -6.354 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.209 -2.363 -9.608 1.00 0.00 H new ATOM 0 HE1 TYR A 62 0.822 0.204 -7.137 1.00 0.00 H new ATOM 0 HE2 TYR A 62 3.553 -0.129 -10.392 1.00 0.00 H new ATOM 0 HH TYR A 62 2.283 1.650 -10.055 1.00 0.00 H new ATOM 995 N ASN A 63 2.163 -6.056 -9.637 1.00 0.00 N ATOM 996 CA ASN A 63 1.824 -6.309 -11.037 1.00 0.00 C ATOM 997 C ASN A 63 0.343 -6.655 -11.233 1.00 0.00 C ATOM 998 O ASN A 63 -0.391 -5.894 -11.866 1.00 0.00 O ATOM 999 CB ASN A 63 2.698 -7.437 -11.598 1.00 0.00 C ATOM 1000 CG ASN A 63 4.173 -7.072 -11.625 1.00 0.00 C ATOM 1001 OD1 ASN A 63 4.537 -5.912 -11.821 1.00 0.00 O ATOM 1002 ND2 ASN A 63 5.034 -8.066 -11.424 1.00 0.00 N ATOM 0 H ASN A 63 2.725 -6.788 -9.203 1.00 0.00 H new ATOM 0 HA ASN A 63 2.016 -5.384 -11.581 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.560 -8.334 -10.994 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.368 -7.679 -12.608 1.00 0.00 H new ATOM 0 HD21 ASN A 63 6.037 -7.881 -11.429 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.691 -9.013 -11.265 1.00 0.00 H new ATOM 1009 N GLN A 64 -0.095 -7.796 -10.689 1.00 0.00 N ATOM 1010 CA GLN A 64 -1.487 -8.236 -10.854 1.00 0.00 C ATOM 1011 C GLN A 64 -2.389 -7.824 -9.685 1.00 0.00 C ATOM 1012 O GLN A 64 -3.601 -8.021 -9.767 1.00 0.00 O ATOM 1013 CB GLN A 64 -1.544 -9.754 -11.050 1.00 0.00 C ATOM 1014 CG GLN A 64 -1.029 -10.548 -9.857 1.00 0.00 C ATOM 1015 CD GLN A 64 -1.045 -12.046 -10.100 1.00 0.00 C ATOM 1016 OE1 GLN A 64 -2.030 -12.723 -9.804 1.00 0.00 O ATOM 1017 NE2 GLN A 64 0.049 -12.574 -10.642 1.00 0.00 N ATOM 0 H GLN A 64 0.486 -8.426 -10.136 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.870 -7.733 -11.742 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -2.575 -10.046 -11.252 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.959 -10.019 -11.931 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.011 -10.232 -9.627 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.639 -10.319 -8.983 1.00 0.00 H new ATOM 0 HE21 GLN A 64 0.843 -11.977 -10.872 1.00 0.00 H new ATOM 0 HE22 GLN A 64 0.094 -13.576 -10.827 1.00 0.00 H new ATOM 1026 N ALA A 65 -1.846 -7.253 -8.613 1.00 0.00 N ATOM 1027 CA ALA A 65 -2.686 -6.860 -7.478 1.00 0.00 C ATOM 1028 C ALA A 65 -3.523 -5.623 -7.804 1.00 0.00 C ATOM 1029 O ALA A 65 -4.693 -5.541 -7.427 1.00 0.00 O ATOM 1030 CB ALA A 65 -1.842 -6.618 -6.241 1.00 0.00 C ATOM 0 H ALA A 65 -0.852 -7.054 -8.503 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.370 -7.684 -7.276 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.487 -6.328 -5.412 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.306 -7.531 -5.982 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.125 -5.821 -6.440 1.00 0.00 H new ATOM 1036 N ARG A 66 -2.915 -4.667 -8.505 1.00 0.00 N ATOM 1037 CA ARG A 66 -3.596 -3.431 -8.891 1.00 0.00 C ATOM 1038 C ARG A 66 -4.749 -3.705 -9.866 1.00 0.00 C ATOM 1039 O ARG A 66 -5.732 -2.962 -9.893 1.00 0.00 O ATOM 1040 CB ARG A 66 -2.594 -2.464 -9.525 1.00 0.00 C ATOM 1041 CG ARG A 66 -3.185 -1.110 -9.886 1.00 0.00 C ATOM 1042 CD ARG A 66 -2.194 -0.265 -10.671 1.00 0.00 C ATOM 1043 NE ARG A 66 -1.798 -0.908 -11.926 1.00 0.00 N ATOM 1044 CZ ARG A 66 -0.647 -0.668 -12.562 1.00 0.00 C ATOM 1045 NH1 ARG A 66 0.222 0.215 -12.079 1.00 0.00 N ATOM 1046 NH2 ARG A 66 -0.368 -1.312 -13.690 1.00 0.00 N ATOM 0 H ARG A 66 -1.946 -4.725 -8.819 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.018 -2.983 -7.992 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.763 -2.314 -8.836 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.183 -2.921 -10.425 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.091 -1.252 -10.475 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.475 -0.583 -8.977 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.637 0.707 -10.886 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.309 -0.084 -10.061 1.00 0.00 H new ATOM 0 HE ARG A 66 -2.441 -1.582 -12.341 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.013 0.716 -11.216 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.098 0.391 -12.572 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.031 -1.988 -14.069 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.510 -1.131 -14.177 1.00 0.00 H new ATOM 1060 N VAL A 67 -4.624 -4.771 -10.662 1.00 0.00 N ATOM 1061 CA VAL A 67 -5.654 -5.132 -11.639 1.00 0.00 C ATOM 1062 C VAL A 67 -6.669 -6.124 -11.064 1.00 0.00 C ATOM 1063 O VAL A 67 -7.858 -6.045 -11.373 1.00 0.00 O ATOM 1064 CB VAL A 67 -5.041 -5.723 -12.930 1.00 0.00 C ATOM 1065 CG1 VAL A 67 -4.188 -4.685 -13.644 1.00 0.00 C ATOM 1066 CG2 VAL A 67 -4.225 -6.974 -12.628 1.00 0.00 C ATOM 0 H VAL A 67 -3.820 -5.398 -10.649 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.171 -4.204 -11.885 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.860 -6.008 -13.590 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.766 -5.121 -14.549 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.805 -3.826 -13.908 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.381 -4.363 -12.986 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.806 -7.368 -13.554 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.416 -6.724 -11.942 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.868 -7.727 -12.172 1.00 0.00 H new ATOM 1076 N LYS A 68 -6.197 -7.055 -10.227 1.00 0.00 N ATOM 1077 CA LYS A 68 -7.072 -8.060 -9.613 1.00 0.00 C ATOM 1078 C LYS A 68 -8.007 -7.449 -8.567 1.00 0.00 C ATOM 1079 O LYS A 68 -9.004 -8.066 -8.189 1.00 0.00 O ATOM 1080 CB LYS A 68 -6.241 -9.173 -8.970 1.00 0.00 C ATOM 1081 CG LYS A 68 -5.625 -10.135 -9.976 1.00 0.00 C ATOM 1082 CD LYS A 68 -4.676 -11.119 -9.307 1.00 0.00 C ATOM 1083 CE LYS A 68 -5.407 -12.040 -8.342 1.00 0.00 C ATOM 1084 NZ LYS A 68 -4.486 -13.010 -7.689 1.00 0.00 N ATOM 0 H LYS A 68 -5.216 -7.133 -9.960 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.687 -8.476 -10.411 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.445 -8.723 -8.376 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.873 -9.735 -8.283 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.417 -10.683 -10.487 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.086 -9.570 -10.737 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.174 -11.715 -10.069 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.902 -10.570 -8.770 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.905 -11.443 -7.578 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.184 -12.584 -8.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.929 -13.951 -7.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.596 -13.058 -8.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.289 -12.700 -6.716 1.00 0.00 H new ATOM 1098 N TYR A 69 -7.684 -6.245 -8.093 1.00 0.00 N ATOM 1099 CA TYR A 69 -8.508 -5.571 -7.095 1.00 0.00 C ATOM 1100 C TYR A 69 -8.707 -4.098 -7.449 1.00 0.00 C ATOM 1101 O TYR A 69 -7.924 -3.519 -8.204 1.00 0.00 O ATOM 1102 CB TYR A 69 -7.877 -5.712 -5.707 1.00 0.00 C ATOM 1103 CG TYR A 69 -7.970 -7.114 -5.152 1.00 0.00 C ATOM 1104 CD1 TYR A 69 -7.009 -8.071 -5.458 1.00 0.00 C ATOM 1105 CD2 TYR A 69 -9.026 -7.485 -4.331 1.00 0.00 C ATOM 1106 CE1 TYR A 69 -7.100 -9.356 -4.962 1.00 0.00 C ATOM 1107 CE2 TYR A 69 -9.123 -8.767 -3.828 1.00 0.00 C ATOM 1108 CZ TYR A 69 -8.158 -9.700 -4.146 1.00 0.00 C ATOM 1109 OH TYR A 69 -8.255 -10.981 -3.651 1.00 0.00 O ATOM 0 H TYR A 69 -6.860 -5.720 -8.384 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.489 -6.046 -7.084 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.829 -5.418 -5.760 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.368 -5.023 -5.020 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -6.178 -7.805 -6.094 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -9.785 -6.758 -4.081 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -6.347 -10.089 -5.211 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -9.950 -9.038 -3.189 1.00 0.00 H new ATOM 0 HH TYR A 69 -8.836 -10.984 -2.862 1.00 0.00 H new ATOM 1119 N SER A 70 -9.765 -3.500 -6.900 1.00 0.00 N ATOM 1120 CA SER A 70 -10.080 -2.099 -7.164 1.00 0.00 C ATOM 1121 C SER A 70 -9.210 -1.164 -6.323 1.00 0.00 C ATOM 1122 O SER A 70 -9.565 -0.812 -5.195 1.00 0.00 O ATOM 1123 CB SER A 70 -11.564 -1.826 -6.897 1.00 0.00 C ATOM 1124 OG SER A 70 -11.910 -0.494 -7.234 1.00 0.00 O ATOM 0 H SER A 70 -10.418 -3.966 -6.270 1.00 0.00 H new ATOM 0 HA SER A 70 -9.867 -1.902 -8.215 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.174 -2.520 -7.475 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.786 -2.007 -5.845 1.00 0.00 H new ATOM 0 HG SER A 70 -12.862 -0.348 -7.055 1.00 0.00 H new ATOM 1130 N LEU A 71 -8.061 -0.777 -6.879 1.00 0.00 N ATOM 1131 CA LEU A 71 -7.135 0.128 -6.200 1.00 0.00 C ATOM 1132 C LEU A 71 -7.090 1.469 -6.928 1.00 0.00 C ATOM 1133 O LEU A 71 -7.533 2.487 -6.393 1.00 0.00 O ATOM 1134 CB LEU A 71 -5.730 -0.484 -6.129 1.00 0.00 C ATOM 1135 CG LEU A 71 -5.568 -1.643 -5.141 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -6.325 -2.872 -5.618 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -4.097 -1.969 -4.939 1.00 0.00 C ATOM 0 H LEU A 71 -7.749 -1.078 -7.802 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.490 0.287 -5.182 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.454 -0.835 -7.123 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.023 0.301 -5.861 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.990 -1.335 -4.184 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.194 -3.681 -4.900 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.385 -2.634 -5.708 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.939 -3.183 -6.589 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.001 -2.795 -4.234 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.653 -2.253 -5.893 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.581 -1.093 -4.545 1.00 0.00 H new ATOM 1149 N LEU A 72 -6.557 1.461 -8.149 1.00 0.00 N ATOM 1150 CA LEU A 72 -6.464 2.673 -8.959 1.00 0.00 C ATOM 1151 C LEU A 72 -7.426 2.595 -10.141 1.00 0.00 C ATOM 1152 O LEU A 72 -7.111 2.004 -11.175 1.00 0.00 O ATOM 1153 CB LEU A 72 -5.027 2.885 -9.453 1.00 0.00 C ATOM 1154 CG LEU A 72 -4.085 3.578 -8.460 1.00 0.00 C ATOM 1155 CD1 LEU A 72 -4.578 4.985 -8.146 1.00 0.00 C ATOM 1156 CD2 LEU A 72 -3.950 2.762 -7.183 1.00 0.00 C ATOM 0 H LEU A 72 -6.182 0.626 -8.599 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.742 3.524 -8.338 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.603 1.915 -9.713 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.059 3.475 -10.369 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.100 3.653 -8.922 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.897 5.460 -7.440 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.616 5.571 -9.064 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.575 4.932 -7.708 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.277 3.273 -6.494 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.929 2.650 -6.718 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.546 1.778 -7.421 1.00 0.00 H new ATOM 1168 N GLU A 73 -8.607 3.188 -9.972 1.00 0.00 N ATOM 1169 CA GLU A 73 -9.628 3.181 -11.015 1.00 0.00 C ATOM 1170 C GLU A 73 -9.590 4.477 -11.825 1.00 0.00 C ATOM 1171 O GLU A 73 -10.019 5.526 -11.295 1.00 0.00 O ATOM 1172 CB GLU A 73 -11.019 2.977 -10.399 1.00 0.00 C ATOM 1173 CG GLU A 73 -11.091 1.822 -9.406 1.00 0.00 C ATOM 1174 CD GLU A 73 -10.612 0.505 -9.992 1.00 0.00 C ATOM 1175 OE1 GLU A 73 -11.394 -0.142 -10.719 1.00 0.00 O ATOM 1176 OE2 GLU A 73 -9.454 0.120 -9.719 1.00 0.00 O ATOM 0 H GLU A 73 -8.879 3.680 -9.121 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.418 2.352 -11.690 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.321 3.895 -9.896 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.738 2.801 -11.199 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.488 2.064 -8.531 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.119 1.708 -9.063 1.00 0.00 H new TER 1183 GLU A 73