USER MOD reduce.3.24.130724 H: found=0, std=0, add=1180, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1172 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: B 17 HIS :FLIP no HD1:sc= -4.67! C(o=-11!,f=-5.6!) USER MOD Set 1.2: B 58 THR OG1 : rot 156:sc= -0.958 USER MOD Set 2.1: A 17 HIS :FLIP no HD1:sc= -4.59! C(o=-11!,f=-5.4!) USER MOD Set 2.2: A 58 THR OG1 : rot 152:sc= -0.84 USER MOD Single : A 1 MET CE :methyl -161:sc= 0 (180deg=-0.54) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 67:sc= 1.15 USER MOD Single : A 4 ASN : amide:sc= -1.67 K(o=-1.7,f=-4.3!) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.815 USER MOD Single : A 7 SER OG : rot 140:sc= -1.76 USER MOD Single : A 8 SER OG : rot 75:sc= 1.41 USER MOD Single : A 10 GLN : amide:sc= -1.81 K(o=-1.8,f=-4.2!) USER MOD Single : A 13 CYS SG : rot -133:sc= -0.677 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN :FLIP amide:sc= -3.24! C(o=-7.2!,f=-3.2!) USER MOD Single : A 25 GLN : amide:sc= -0.0812 K(o=-0.081,f=-1.1) USER MOD Single : A 40 GLN :FLIP amide:sc= -2.47 F(o=-5.3!,f=-2.5) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 93:sc= 0.183 USER MOD Single : A 53 ASN : amide:sc= -0.0471 X(o=-0.047,f=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.205 X(o=-0.21,f=-0.014) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN :FLIP amide:sc= -0.286 F(o=-2,f=-0.29) USER MOD Single : A 67 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0155) USER MOD Single : A 70 LYS NZ :NH3+ 143:sc= -2.31 (180deg=-4.78!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl -177:sc= 0 (180deg=-0.0115) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 SER OG : rot 65:sc= 1.11 USER MOD Single : B 4 ASN : amide:sc= -1.9! C(o=-1.9!,f=-3.9!) USER MOD Single : B 5 THR OG1 : rot 180:sc= -0.898 USER MOD Single : B 7 SER OG : rot 140:sc= -1.77 USER MOD Single : B 8 SER OG : rot 22:sc= 1.29 USER MOD Single : B 10 GLN : amide:sc= -1.8 K(o=-1.8,f=-3.8!) USER MOD Single : B 13 CYS SG : rot -139:sc= 0.531 USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 GLN :FLIP amide:sc= -3.4 F(o=-8.9!,f=-3.4) USER MOD Single : B 25 GLN : amide:sc= -0.11 K(o=-0.11,f=-0.82) USER MOD Single : B 40 GLN :FLIP amide:sc= -2.44 F(o=-5.2!,f=-2.4) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 SER OG : rot 180:sc= 0 USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD Single : B 49 THR OG1 : rot 91:sc= 0.134 USER MOD Single : B 53 ASN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : B 59 HIS : no HD1:sc= -0.209 X(o=-0.21,f=0) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 63 GLN :FLIP amide:sc= -0.296 F(o=-2.1,f=-0.3) USER MOD Single : B 67 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0131) USER MOD Single : B 70 LYS NZ :NH3+ 131:sc= -2.41! (180deg=-4.82!) USER MOD Single : B 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.647 12.826 16.767 1.00 0.00 N ATOM 2 CA MET A 1 -9.785 11.964 16.497 1.00 0.00 C ATOM 3 C MET A 1 -9.387 10.508 16.742 1.00 0.00 C ATOM 4 O MET A 1 -8.428 10.045 16.107 1.00 0.00 O ATOM 5 CB MET A 1 -10.248 12.131 15.048 1.00 0.00 C ATOM 6 CG MET A 1 -11.714 12.561 14.986 1.00 0.00 C ATOM 7 SD MET A 1 -12.748 11.380 15.901 1.00 0.00 S ATOM 8 CE MET A 1 -14.150 11.234 14.754 1.00 0.00 C ATOM 0 H1 MET A 1 -8.915 13.817 16.601 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.350 12.709 17.757 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.860 12.570 16.137 1.00 0.00 H new ATOM 0 HA MET A 1 -10.604 12.240 17.161 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.626 12.873 14.547 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.118 11.192 14.511 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.827 13.559 15.409 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.042 12.616 13.948 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.013 10.831 15.284 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.396 12.217 14.353 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.882 10.566 13.936 1.00 0.00 H new ATOM 18 N ASP A 2 -10.119 9.826 17.640 1.00 0.00 N ATOM 19 CA ASP A 2 -9.843 8.436 17.963 1.00 0.00 C ATOM 20 C ASP A 2 -8.422 8.318 18.518 1.00 0.00 C ATOM 21 O ASP A 2 -8.259 8.408 19.744 1.00 0.00 O ATOM 22 CB ASP A 2 -9.939 7.552 16.718 1.00 0.00 C ATOM 23 CG ASP A 2 -11.302 7.560 16.022 1.00 0.00 C ATOM 24 OD1 ASP A 2 -12.329 7.884 16.635 1.00 0.00 O ATOM 25 OD2 ASP A 2 -11.283 7.208 14.782 1.00 0.00 O ATOM 0 H ASP A 2 -10.906 10.226 18.151 1.00 0.00 H new ATOM 0 HA ASP A 2 -10.579 8.108 18.696 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -9.181 7.873 16.003 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -9.698 6.527 16.999 1.00 0.00 H new ATOM 30 N SER A 3 -7.440 8.122 17.622 1.00 0.00 N ATOM 31 CA SER A 3 -6.048 7.994 18.020 1.00 0.00 C ATOM 32 C SER A 3 -5.298 7.165 16.976 1.00 0.00 C ATOM 33 O SER A 3 -4.856 7.742 15.971 1.00 0.00 O ATOM 34 CB SER A 3 -5.918 7.349 19.402 1.00 0.00 C ATOM 35 OG SER A 3 -5.839 8.323 20.440 1.00 0.00 O ATOM 0 H SER A 3 -7.596 8.050 16.617 1.00 0.00 H new ATOM 0 HA SER A 3 -5.612 8.991 18.081 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.774 6.698 19.580 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.028 6.720 19.426 1.00 0.00 H new ATOM 0 HG SER A 3 -6.694 8.797 20.510 1.00 0.00 H new ATOM 41 N ASN A 4 -5.171 5.850 17.229 1.00 0.00 N ATOM 42 CA ASN A 4 -4.480 4.953 16.317 1.00 0.00 C ATOM 43 C ASN A 4 -5.340 4.740 15.069 1.00 0.00 C ATOM 44 O ASN A 4 -4.799 4.286 14.051 1.00 0.00 O ATOM 45 CB ASN A 4 -4.239 3.588 16.964 1.00 0.00 C ATOM 46 CG ASN A 4 -2.749 3.241 16.970 1.00 0.00 C ATOM 47 OD1 ASN A 4 -1.886 4.088 16.811 1.00 0.00 O ATOM 48 ND2 ASN A 4 -2.496 1.949 17.163 1.00 0.00 N ATOM 0 H ASN A 4 -5.543 5.395 18.063 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.522 5.405 16.061 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -4.619 3.593 17.986 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.793 2.821 16.422 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -1.532 1.616 17.184 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -3.266 1.292 17.290 1.00 0.00 H new ATOM 55 N THR A 5 -6.641 5.068 15.171 1.00 0.00 N ATOM 56 CA THR A 5 -7.563 4.914 14.059 1.00 0.00 C ATOM 57 C THR A 5 -7.224 5.939 12.974 1.00 0.00 C ATOM 58 O THR A 5 -6.914 5.524 11.848 1.00 0.00 O ATOM 59 CB THR A 5 -8.993 5.041 14.589 1.00 0.00 C ATOM 60 OG1 THR A 5 -9.102 3.991 15.547 1.00 0.00 O ATOM 61 CG2 THR A 5 -10.042 4.692 13.532 1.00 0.00 C ATOM 0 H THR A 5 -7.067 5.441 16.019 1.00 0.00 H new ATOM 0 HA THR A 5 -7.473 3.931 13.598 1.00 0.00 H new ATOM 0 HB THR A 5 -9.160 6.058 14.944 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.999 4.000 15.942 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.039 4.798 13.960 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.939 5.365 12.681 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.897 3.664 13.201 1.00 0.00 H new ATOM 69 N VAL A 6 -7.287 7.234 13.329 1.00 0.00 N ATOM 70 CA VAL A 6 -6.989 8.304 12.393 1.00 0.00 C ATOM 71 C VAL A 6 -5.703 7.968 11.634 1.00 0.00 C ATOM 72 O VAL A 6 -5.675 8.155 10.408 1.00 0.00 O ATOM 73 CB VAL A 6 -6.914 9.641 13.133 1.00 0.00 C ATOM 74 CG1 VAL A 6 -8.312 10.217 13.368 1.00 0.00 C ATOM 75 CG2 VAL A 6 -6.152 9.497 14.451 1.00 0.00 C ATOM 0 H VAL A 6 -7.544 7.554 14.263 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.786 8.400 11.656 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.364 10.341 12.504 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -8.230 11.167 13.896 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -8.806 10.376 12.409 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -8.897 9.519 13.967 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.114 10.462 14.956 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.661 8.774 15.088 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.138 9.153 14.249 1.00 0.00 H new ATOM 85 N SER A 7 -4.681 7.488 12.363 1.00 0.00 N ATOM 86 CA SER A 7 -3.407 7.130 11.764 1.00 0.00 C ATOM 87 C SER A 7 -3.653 6.212 10.564 1.00 0.00 C ATOM 88 O SER A 7 -3.269 6.587 9.447 1.00 0.00 O ATOM 89 CB SER A 7 -2.484 6.446 12.775 1.00 0.00 C ATOM 90 OG SER A 7 -1.201 6.164 12.221 1.00 0.00 O ATOM 0 H SER A 7 -4.724 7.343 13.372 1.00 0.00 H new ATOM 0 HA SER A 7 -2.911 8.043 11.434 1.00 0.00 H new ATOM 0 HB2 SER A 7 -2.368 7.085 13.651 1.00 0.00 H new ATOM 0 HB3 SER A 7 -2.944 5.518 13.116 1.00 0.00 H new ATOM 0 HG SER A 7 -0.508 6.347 12.890 1.00 0.00 H new ATOM 96 N SER A 8 -4.277 5.047 10.815 1.00 0.00 N ATOM 97 CA SER A 8 -4.569 4.088 9.763 1.00 0.00 C ATOM 98 C SER A 8 -5.247 4.809 8.596 1.00 0.00 C ATOM 99 O SER A 8 -4.950 4.469 7.442 1.00 0.00 O ATOM 100 CB SER A 8 -5.457 2.951 10.273 1.00 0.00 C ATOM 101 OG SER A 8 -5.749 2.003 9.251 1.00 0.00 O ATOM 0 H SER A 8 -4.585 4.757 11.743 1.00 0.00 H new ATOM 0 HA SER A 8 -3.631 3.646 9.427 1.00 0.00 H new ATOM 0 HB2 SER A 8 -4.961 2.448 11.103 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.388 3.364 10.661 1.00 0.00 H new ATOM 0 HG SER A 8 -4.961 1.443 9.089 1.00 0.00 H new ATOM 107 N PHE A 9 -6.129 5.773 8.914 1.00 0.00 N ATOM 108 CA PHE A 9 -6.839 6.531 7.899 1.00 0.00 C ATOM 109 C PHE A 9 -5.827 7.230 6.989 1.00 0.00 C ATOM 110 O PHE A 9 -5.846 6.968 5.776 1.00 0.00 O ATOM 111 CB PHE A 9 -7.759 7.561 8.585 1.00 0.00 C ATOM 112 CG PHE A 9 -9.217 7.498 8.152 1.00 0.00 C ATOM 113 CD1 PHE A 9 -9.991 6.343 8.412 1.00 0.00 C ATOM 114 CD2 PHE A 9 -9.804 8.595 7.479 1.00 0.00 C ATOM 115 CE1 PHE A 9 -11.341 6.286 8.006 1.00 0.00 C ATOM 116 CE2 PHE A 9 -11.155 8.538 7.073 1.00 0.00 C ATOM 117 CZ PHE A 9 -11.923 7.383 7.337 1.00 0.00 C ATOM 0 H PHE A 9 -6.359 6.037 9.872 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.451 5.864 7.292 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.708 7.413 9.664 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -7.377 8.561 8.382 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -9.547 5.502 8.923 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -9.217 9.478 7.275 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -11.929 5.403 8.207 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -11.601 9.378 6.561 1.00 0.00 H new ATOM 0 HZ PHE A 9 -12.957 7.339 7.027 1.00 0.00 H new ATOM 127 N GLN A 10 -4.977 8.089 7.579 1.00 0.00 N ATOM 128 CA GLN A 10 -3.970 8.815 6.826 1.00 0.00 C ATOM 129 C GLN A 10 -3.220 7.841 5.915 1.00 0.00 C ATOM 130 O GLN A 10 -3.218 8.058 4.694 1.00 0.00 O ATOM 131 CB GLN A 10 -3.002 9.555 7.751 1.00 0.00 C ATOM 132 CG GLN A 10 -3.613 10.866 8.248 1.00 0.00 C ATOM 133 CD GLN A 10 -3.573 10.946 9.776 1.00 0.00 C ATOM 134 OE1 GLN A 10 -2.683 10.423 10.428 1.00 0.00 O ATOM 135 NE2 GLN A 10 -4.583 11.627 10.309 1.00 0.00 N ATOM 0 H GLN A 10 -4.977 8.290 8.579 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.466 9.570 6.216 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.750 8.922 8.602 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.072 9.761 7.221 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.069 11.709 7.822 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.644 10.944 7.903 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.295 12.040 9.706 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.646 11.737 11.321 1.00 0.00 H new ATOM 144 N VAL A 11 -2.608 6.804 6.514 1.00 0.00 N ATOM 145 CA VAL A 11 -1.863 5.809 5.762 1.00 0.00 C ATOM 146 C VAL A 11 -2.705 5.339 4.574 1.00 0.00 C ATOM 147 O VAL A 11 -2.251 5.494 3.431 1.00 0.00 O ATOM 148 CB VAL A 11 -1.439 4.665 6.685 1.00 0.00 C ATOM 149 CG1 VAL A 11 -1.372 3.341 5.921 1.00 0.00 C ATOM 150 CG2 VAL A 11 -0.103 4.974 7.363 1.00 0.00 C ATOM 0 H VAL A 11 -2.622 6.643 7.521 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.946 6.241 5.360 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.195 4.565 7.464 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.068 2.544 6.600 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.353 3.110 5.506 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.647 3.424 5.112 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.175 4.145 8.013 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.667 5.114 6.604 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.198 5.884 7.956 1.00 0.00 H new ATOM 160 N ASP A 12 -3.895 4.783 4.863 1.00 0.00 N ATOM 161 CA ASP A 12 -4.790 4.296 3.826 1.00 0.00 C ATOM 162 C ASP A 12 -4.785 5.278 2.653 1.00 0.00 C ATOM 163 O ASP A 12 -4.478 4.853 1.529 1.00 0.00 O ATOM 164 CB ASP A 12 -6.224 4.185 4.345 1.00 0.00 C ATOM 165 CG ASP A 12 -7.041 3.036 3.748 1.00 0.00 C ATOM 166 OD1 ASP A 12 -6.564 2.304 2.868 1.00 0.00 O ATOM 167 OD2 ASP A 12 -8.230 2.905 4.229 1.00 0.00 O ATOM 0 H ASP A 12 -4.250 4.665 5.812 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.443 3.311 3.515 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.194 4.065 5.428 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.741 5.123 4.142 1.00 0.00 H new ATOM 172 N CYS A 13 -5.120 6.550 2.931 1.00 0.00 N ATOM 173 CA CYS A 13 -5.155 7.578 1.906 1.00 0.00 C ATOM 174 C CYS A 13 -3.867 7.516 1.082 1.00 0.00 C ATOM 175 O CYS A 13 -3.958 7.361 -0.144 1.00 0.00 O ATOM 176 CB CYS A 13 -5.372 8.964 2.520 1.00 0.00 C ATOM 177 SG CYS A 13 -6.942 9.758 2.071 1.00 0.00 S ATOM 0 H CYS A 13 -5.369 6.880 3.864 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.000 7.395 1.243 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.322 8.877 3.605 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.552 9.614 2.214 1.00 0.00 H new ATOM 0 HG CYS A 13 -6.719 10.988 1.712 1.00 0.00 H new ATOM 183 N PHE A 14 -2.712 7.633 1.761 1.00 0.00 N ATOM 184 CA PHE A 14 -1.420 7.590 1.097 1.00 0.00 C ATOM 185 C PHE A 14 -1.372 6.376 0.166 1.00 0.00 C ATOM 186 O PHE A 14 -0.992 6.544 -1.002 1.00 0.00 O ATOM 187 CB PHE A 14 -0.306 7.510 2.158 1.00 0.00 C ATOM 188 CG PHE A 14 1.109 7.558 1.598 1.00 0.00 C ATOM 189 CD1 PHE A 14 1.682 8.796 1.225 1.00 0.00 C ATOM 190 CD2 PHE A 14 1.861 6.368 1.453 1.00 0.00 C ATOM 191 CE1 PHE A 14 2.995 8.844 0.709 1.00 0.00 C ATOM 192 CE2 PHE A 14 3.174 6.418 0.938 1.00 0.00 C ATOM 193 CZ PHE A 14 3.741 7.655 0.565 1.00 0.00 C ATOM 0 H PHE A 14 -2.659 7.758 2.772 1.00 0.00 H new ATOM 0 HA PHE A 14 -1.271 8.492 0.503 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.432 8.333 2.861 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.427 6.586 2.724 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.113 9.707 1.335 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.429 5.420 1.737 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.429 9.791 0.424 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.746 5.508 0.829 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.745 7.692 0.170 1.00 0.00 H new ATOM 203 N LEU A 15 -1.751 5.198 0.692 1.00 0.00 N ATOM 204 CA LEU A 15 -1.750 3.971 -0.086 1.00 0.00 C ATOM 205 C LEU A 15 -2.533 4.193 -1.382 1.00 0.00 C ATOM 206 O LEU A 15 -2.088 3.706 -2.431 1.00 0.00 O ATOM 207 CB LEU A 15 -2.270 2.803 0.755 1.00 0.00 C ATOM 208 CG LEU A 15 -1.605 2.609 2.118 1.00 0.00 C ATOM 209 CD1 LEU A 15 -1.854 1.198 2.653 1.00 0.00 C ATOM 210 CD2 LEU A 15 -0.113 2.944 2.054 1.00 0.00 C ATOM 0 H LEU A 15 -2.061 5.082 1.657 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.733 3.701 -0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.340 2.942 0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.149 1.885 0.180 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.060 3.305 2.822 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.370 1.086 3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.926 1.034 2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.443 0.467 1.957 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.335 2.797 3.037 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.376 2.291 1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.014 3.983 1.749 1.00 0.00 H new ATOM 222 N TRP A 16 -3.664 4.914 -1.285 1.00 0.00 N ATOM 223 CA TRP A 16 -4.499 5.196 -2.441 1.00 0.00 C ATOM 224 C TRP A 16 -3.716 6.066 -3.428 1.00 0.00 C ATOM 225 O TRP A 16 -3.811 5.814 -4.638 1.00 0.00 O ATOM 226 CB TRP A 16 -5.818 5.832 -2.000 1.00 0.00 C ATOM 227 CG TRP A 16 -6.844 5.982 -3.126 1.00 0.00 C ATOM 228 CD1 TRP A 16 -7.807 5.123 -3.484 1.00 0.00 C ATOM 229 CD2 TRP A 16 -6.968 7.100 -4.031 1.00 0.00 C ATOM 230 NE1 TRP A 16 -8.541 5.603 -4.551 1.00 0.00 N ATOM 231 CE2 TRP A 16 -8.015 6.842 -4.893 1.00 0.00 C ATOM 232 CE3 TRP A 16 -6.220 8.287 -4.119 1.00 0.00 C ATOM 233 CZ2 TRP A 16 -8.409 7.727 -5.905 1.00 0.00 C ATOM 234 CZ3 TRP A 16 -6.627 9.160 -5.135 1.00 0.00 C ATOM 235 CH2 TRP A 16 -7.679 8.917 -6.011 1.00 0.00 C ATOM 0 H TRP A 16 -4.012 5.308 -0.411 1.00 0.00 H new ATOM 0 HA TRP A 16 -4.760 4.271 -2.955 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -6.253 5.227 -1.204 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -5.612 6.815 -1.577 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -7.987 4.175 -3.000 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -9.325 5.134 -5.004 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -5.397 8.508 -3.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -9.232 7.503 -6.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -6.086 10.088 -5.246 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -7.932 9.643 -6.770 1.00 0.00 H new ATOM 246 N HIS A 17 -2.973 7.055 -2.901 1.00 0.00 N ATOM 247 CA HIS A 17 -2.185 7.950 -3.730 1.00 0.00 C ATOM 248 C HIS A 17 -1.136 7.140 -4.495 1.00 0.00 C ATOM 249 O HIS A 17 -1.097 7.240 -5.730 1.00 0.00 O ATOM 250 CB HIS A 17 -1.572 9.075 -2.893 1.00 0.00 C ATOM 251 CG HIS A 17 -2.544 10.173 -2.535 1.00 0.00 C ATOM 252 ND1 HIS A 17 -3.637 10.166 -1.719 1.00 0.00 N flip ATOM 253 CD2 HIS A 17 -2.441 11.458 -3.039 1.00 0.00 C flip ATOM 254 CE1 HIS A 17 -4.172 11.379 -1.723 1.00 0.00 C flip ATOM 255 NE2 HIS A 17 -3.432 12.182 -2.541 1.00 0.00 N flip ATOM 0 H HIS A 17 -2.909 7.245 -1.901 1.00 0.00 H new ATOM 0 HA HIS A 17 -2.829 8.437 -4.462 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.165 8.651 -1.975 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -0.736 9.508 -3.442 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -1.682 11.810 -3.722 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.049 11.682 -1.170 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -3.611 13.167 -2.735 1.00 0.00 H new ATOM 263 N VAL A 18 -0.318 6.367 -3.757 1.00 0.00 N ATOM 264 CA VAL A 18 0.720 5.549 -4.361 1.00 0.00 C ATOM 265 C VAL A 18 0.085 4.590 -5.371 1.00 0.00 C ATOM 266 O VAL A 18 0.720 4.312 -6.399 1.00 0.00 O ATOM 267 CB VAL A 18 1.518 4.828 -3.273 1.00 0.00 C ATOM 268 CG1 VAL A 18 2.350 5.818 -2.457 1.00 0.00 C ATOM 269 CG2 VAL A 18 0.595 4.011 -2.366 1.00 0.00 C ATOM 0 H VAL A 18 -0.366 6.300 -2.740 1.00 0.00 H new ATOM 0 HA VAL A 18 1.429 6.173 -4.906 1.00 0.00 H new ATOM 0 HB VAL A 18 2.204 4.137 -3.763 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.908 5.280 -1.691 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.047 6.337 -3.115 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.690 6.544 -1.983 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.188 3.509 -1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.126 4.674 -1.888 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.065 3.267 -2.961 1.00 0.00 H new ATOM 279 N ARG A 19 -1.134 4.112 -5.063 1.00 0.00 N ATOM 280 CA ARG A 19 -1.844 3.194 -5.938 1.00 0.00 C ATOM 281 C ARG A 19 -2.246 3.927 -7.220 1.00 0.00 C ATOM 282 O ARG A 19 -2.090 3.346 -8.304 1.00 0.00 O ATOM 283 CB ARG A 19 -3.099 2.633 -5.266 1.00 0.00 C ATOM 284 CG ARG A 19 -2.758 1.420 -4.398 1.00 0.00 C ATOM 285 CD ARG A 19 -4.011 0.868 -3.711 1.00 0.00 C ATOM 286 NE ARG A 19 -3.627 0.078 -2.520 1.00 0.00 N ATOM 287 CZ ARG A 19 -4.217 -1.083 -2.161 1.00 0.00 C ATOM 288 NH1 ARG A 19 -5.212 -1.567 -2.916 1.00 0.00 N ATOM 289 NH2 ARG A 19 -3.812 -1.740 -1.066 1.00 0.00 N ATOM 0 H ARG A 19 -1.639 4.354 -4.210 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.179 2.361 -6.166 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.564 3.405 -4.653 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.827 2.348 -6.026 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.304 0.643 -5.014 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.021 1.702 -3.646 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.667 1.688 -3.418 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.572 0.244 -4.406 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.871 0.432 -1.934 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.514 -1.060 -3.748 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.668 -2.442 -2.659 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.053 -1.364 -0.497 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.262 -2.616 -0.801 1.00 0.00 H new ATOM 303 N LYS A 20 -2.746 5.167 -7.075 1.00 0.00 N ATOM 304 CA LYS A 20 -3.165 5.967 -8.213 1.00 0.00 C ATOM 305 C LYS A 20 -1.985 6.141 -9.171 1.00 0.00 C ATOM 306 O LYS A 20 -2.201 6.083 -10.389 1.00 0.00 O ATOM 307 CB LYS A 20 -3.775 7.289 -7.742 1.00 0.00 C ATOM 308 CG LYS A 20 -3.222 8.466 -8.548 1.00 0.00 C ATOM 309 CD LYS A 20 -3.802 8.482 -9.963 1.00 0.00 C ATOM 310 CE LYS A 20 -2.841 9.162 -10.942 1.00 0.00 C ATOM 311 NZ LYS A 20 -3.103 10.609 -11.000 1.00 0.00 N ATOM 0 H LYS A 20 -2.865 5.628 -6.173 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.953 5.458 -8.767 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.859 7.250 -7.845 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.561 7.436 -6.683 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.461 9.402 -8.043 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.135 8.399 -8.597 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.999 7.461 -10.291 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.758 9.006 -9.962 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.811 8.985 -10.632 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.955 8.726 -11.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.443 11.055 -11.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.080 10.772 -11.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.972 11.024 -10.055 1.00 0.00 H new ATOM 325 N GLN A 21 -0.779 6.347 -8.610 1.00 0.00 N ATOM 326 CA GLN A 21 0.420 6.526 -9.408 1.00 0.00 C ATOM 327 C GLN A 21 0.802 5.194 -10.056 1.00 0.00 C ATOM 328 O GLN A 21 1.300 5.211 -11.191 1.00 0.00 O ATOM 329 CB GLN A 21 1.576 7.079 -8.570 1.00 0.00 C ATOM 330 CG GLN A 21 1.846 8.546 -8.909 1.00 0.00 C ATOM 331 CD GLN A 21 1.090 9.476 -7.957 1.00 0.00 C ATOM 332 OE1 GLN A 21 -0.014 8.943 -7.443 1.00 0.00 O flip ATOM 333 NE2 GLN A 21 1.485 10.604 -7.706 1.00 0.00 N flip ATOM 0 H GLN A 21 -0.622 6.392 -7.603 1.00 0.00 H new ATOM 0 HA GLN A 21 0.213 7.259 -10.188 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.339 6.985 -7.510 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.475 6.489 -8.750 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.916 8.747 -8.846 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.543 8.747 -9.937 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.342 10.952 -8.136 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.958 11.198 -7.067 1.00 0.00 H new ATOM 342 N VAL A 22 0.565 4.084 -9.335 1.00 0.00 N ATOM 343 CA VAL A 22 0.880 2.757 -9.836 1.00 0.00 C ATOM 344 C VAL A 22 0.117 2.515 -11.140 1.00 0.00 C ATOM 345 O VAL A 22 0.765 2.241 -12.160 1.00 0.00 O ATOM 346 CB VAL A 22 0.580 1.708 -8.764 1.00 0.00 C ATOM 347 CG1 VAL A 22 0.265 0.351 -9.398 1.00 0.00 C ATOM 348 CG2 VAL A 22 1.738 1.593 -7.770 1.00 0.00 C ATOM 0 H VAL A 22 0.155 4.092 -8.401 1.00 0.00 H new ATOM 0 HA VAL A 22 1.943 2.676 -10.062 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.303 2.034 -8.214 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.055 -0.377 -8.614 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.605 0.446 -10.047 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.120 0.016 -9.985 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.499 0.841 -7.018 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.645 1.301 -8.300 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.896 2.555 -7.283 1.00 0.00 H new ATOM 358 N VAL A 23 -1.223 2.617 -11.082 1.00 0.00 N ATOM 359 CA VAL A 23 -2.062 2.410 -12.249 1.00 0.00 C ATOM 360 C VAL A 23 -1.764 3.495 -13.285 1.00 0.00 C ATOM 361 O VAL A 23 -1.806 3.191 -14.486 1.00 0.00 O ATOM 362 CB VAL A 23 -3.534 2.368 -11.834 1.00 0.00 C ATOM 363 CG1 VAL A 23 -4.408 1.826 -12.967 1.00 0.00 C ATOM 364 CG2 VAL A 23 -3.721 1.546 -10.556 1.00 0.00 C ATOM 0 H VAL A 23 -1.738 2.843 -10.231 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.841 1.449 -12.713 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.852 3.389 -11.625 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.449 1.807 -12.646 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.310 2.469 -13.842 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.088 0.816 -13.222 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.776 1.532 -10.283 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.377 0.526 -10.726 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.143 1.994 -9.748 1.00 0.00 H new ATOM 374 N ASP A 24 -1.474 4.720 -12.809 1.00 0.00 N ATOM 375 CA ASP A 24 -1.172 5.836 -13.688 1.00 0.00 C ATOM 376 C ASP A 24 -0.003 5.460 -14.600 1.00 0.00 C ATOM 377 O ASP A 24 0.075 6.001 -15.713 1.00 0.00 O ATOM 378 CB ASP A 24 -0.766 7.075 -12.885 1.00 0.00 C ATOM 379 CG ASP A 24 -0.448 8.313 -13.725 1.00 0.00 C ATOM 380 OD1 ASP A 24 0.776 8.403 -14.122 1.00 0.00 O ATOM 381 OD2 ASP A 24 -1.326 9.150 -13.987 1.00 0.00 O ATOM 0 H ASP A 24 -1.446 4.950 -11.816 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.067 6.059 -14.269 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.571 7.321 -12.193 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.108 6.829 -12.282 1.00 0.00 H new ATOM 386 N GLN A 25 0.868 4.555 -14.121 1.00 0.00 N ATOM 387 CA GLN A 25 2.021 4.112 -14.889 1.00 0.00 C ATOM 388 C GLN A 25 1.711 2.758 -15.529 1.00 0.00 C ATOM 389 O GLN A 25 2.661 2.024 -15.843 1.00 0.00 O ATOM 390 CB GLN A 25 3.278 4.034 -14.020 1.00 0.00 C ATOM 391 CG GLN A 25 3.542 5.367 -13.317 1.00 0.00 C ATOM 392 CD GLN A 25 4.985 5.827 -13.536 1.00 0.00 C ATOM 393 OE1 GLN A 25 5.890 5.036 -13.750 1.00 0.00 O ATOM 394 NE2 GLN A 25 5.149 7.144 -13.472 1.00 0.00 N ATOM 0 H GLN A 25 0.786 4.121 -13.202 1.00 0.00 H new ATOM 0 HA GLN A 25 2.222 4.843 -15.673 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.163 3.244 -13.278 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.136 3.768 -14.638 1.00 0.00 H new ATOM 0 HG2 GLN A 25 2.854 6.124 -13.695 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.348 5.264 -12.249 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.349 7.749 -13.289 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.075 7.550 -13.606 1.00 0.00 H new ATOM 403 N GLU A 26 0.413 2.459 -15.708 1.00 0.00 N ATOM 404 CA GLU A 26 -0.014 1.204 -16.306 1.00 0.00 C ATOM 405 C GLU A 26 1.023 0.121 -15.999 1.00 0.00 C ATOM 406 O GLU A 26 1.429 -0.587 -16.933 1.00 0.00 O ATOM 407 CB GLU A 26 -0.230 1.345 -17.814 1.00 0.00 C ATOM 408 CG GLU A 26 1.102 1.523 -18.545 1.00 0.00 C ATOM 409 CD GLU A 26 0.945 2.446 -19.755 1.00 0.00 C ATOM 410 OE1 GLU A 26 -0.145 2.283 -20.427 1.00 0.00 O ATOM 411 OE2 GLU A 26 1.830 3.271 -20.026 1.00 0.00 O ATOM 0 H GLU A 26 -0.353 3.078 -15.443 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.973 0.918 -15.874 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.743 0.462 -18.195 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.876 2.200 -18.014 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.843 1.937 -17.861 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.475 0.552 -18.870 1.00 0.00 H new ATOM 418 N LEU A 27 1.423 0.014 -14.720 1.00 0.00 N ATOM 419 CA LEU A 27 2.401 -0.975 -14.298 1.00 0.00 C ATOM 420 C LEU A 27 1.674 -2.190 -13.720 1.00 0.00 C ATOM 421 O LEU A 27 2.293 -3.262 -13.635 1.00 0.00 O ATOM 422 CB LEU A 27 3.414 -0.349 -13.339 1.00 0.00 C ATOM 423 CG LEU A 27 2.982 -0.255 -11.874 1.00 0.00 C ATOM 424 CD1 LEU A 27 3.496 -1.452 -11.073 1.00 0.00 C ATOM 425 CD2 LEU A 27 3.417 1.077 -11.258 1.00 0.00 C ATOM 0 H LEU A 27 1.076 0.608 -13.966 1.00 0.00 H new ATOM 0 HA LEU A 27 2.981 -1.328 -15.151 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.337 -0.927 -13.389 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.648 0.655 -13.693 1.00 0.00 H new ATOM 0 HG LEU A 27 1.893 -0.286 -11.836 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.175 -1.360 -10.035 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.095 -2.373 -11.497 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.585 -1.477 -11.115 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.098 1.118 -10.217 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.502 1.164 -11.308 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.961 1.899 -11.810 1.00 0.00 H new ATOM 437 N GLY A 28 0.398 -2.004 -13.339 1.00 0.00 N ATOM 438 CA GLY A 28 -0.401 -3.078 -12.774 1.00 0.00 C ATOM 439 C GLY A 28 -0.611 -4.163 -13.832 1.00 0.00 C ATOM 440 O GLY A 28 0.238 -4.285 -14.728 1.00 0.00 O ATOM 0 H GLY A 28 -0.093 -1.113 -13.417 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.098 -3.497 -11.901 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.363 -2.692 -12.436 1.00 0.00 H new ATOM 444 N ASP A 29 -1.719 -4.917 -13.712 1.00 0.00 N ATOM 445 CA ASP A 29 -2.033 -5.979 -14.651 1.00 0.00 C ATOM 446 C ASP A 29 -3.548 -6.033 -14.865 1.00 0.00 C ATOM 447 O ASP A 29 -3.974 -6.359 -15.982 1.00 0.00 O ATOM 448 CB ASP A 29 -1.583 -7.340 -14.114 1.00 0.00 C ATOM 449 CG ASP A 29 -1.974 -8.538 -14.982 1.00 0.00 C ATOM 450 OD1 ASP A 29 -1.512 -8.677 -16.124 1.00 0.00 O ATOM 451 OD2 ASP A 29 -2.801 -9.362 -14.432 1.00 0.00 O ATOM 0 H ASP A 29 -2.406 -4.800 -12.967 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.511 -5.769 -15.585 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.499 -7.330 -14.002 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.005 -7.479 -13.118 1.00 0.00 H new ATOM 456 N ALA A 30 -4.316 -5.718 -13.808 1.00 0.00 N ATOM 457 CA ALA A 30 -5.768 -5.731 -13.880 1.00 0.00 C ATOM 458 C ALA A 30 -6.345 -5.601 -12.469 1.00 0.00 C ATOM 459 O ALA A 30 -7.355 -4.899 -12.307 1.00 0.00 O ATOM 460 CB ALA A 30 -6.245 -7.082 -14.416 1.00 0.00 C ATOM 0 H ALA A 30 -3.944 -5.452 -12.896 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.089 -4.913 -14.524 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.334 -7.089 -14.469 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.832 -7.245 -15.412 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.909 -7.877 -13.750 1.00 0.00 H new ATOM 466 N PRO A 31 -5.705 -6.269 -11.493 1.00 0.00 N ATOM 467 CA PRO A 31 -6.123 -6.251 -10.101 1.00 0.00 C ATOM 468 C PRO A 31 -5.761 -4.920 -9.437 1.00 0.00 C ATOM 469 O PRO A 31 -6.326 -4.620 -8.375 1.00 0.00 O ATOM 470 CB PRO A 31 -5.425 -7.441 -9.465 1.00 0.00 C ATOM 471 CG PRO A 31 -4.284 -7.804 -10.402 1.00 0.00 C ATOM 472 CD PRO A 31 -4.517 -7.085 -11.721 1.00 0.00 C ATOM 0 HA PRO A 31 -7.204 -6.332 -9.985 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.051 -7.190 -8.473 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.112 -8.278 -9.344 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.327 -7.509 -9.971 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.245 -8.882 -10.557 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.660 -6.469 -11.993 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.673 -7.792 -12.536 1.00 0.00 H new ATOM 480 N PHE A 32 -4.843 -4.164 -10.064 1.00 0.00 N ATOM 481 CA PHE A 32 -4.413 -2.880 -9.537 1.00 0.00 C ATOM 482 C PHE A 32 -5.501 -1.836 -9.799 1.00 0.00 C ATOM 483 O PHE A 32 -5.774 -1.030 -8.898 1.00 0.00 O ATOM 484 CB PHE A 32 -3.090 -2.473 -10.211 1.00 0.00 C ATOM 485 CG PHE A 32 -1.836 -2.858 -9.437 1.00 0.00 C ATOM 486 CD1 PHE A 32 -1.924 -3.724 -8.322 1.00 0.00 C ATOM 487 CD2 PHE A 32 -0.578 -2.344 -9.826 1.00 0.00 C ATOM 488 CE1 PHE A 32 -0.760 -4.076 -7.604 1.00 0.00 C ATOM 489 CE2 PHE A 32 0.585 -2.697 -9.108 1.00 0.00 C ATOM 490 CZ PHE A 32 0.494 -3.563 -7.997 1.00 0.00 C ATOM 0 H PHE A 32 -4.390 -4.431 -10.938 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.250 -2.950 -8.462 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.046 -2.931 -11.199 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.091 -1.393 -10.360 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.883 -4.117 -8.019 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.506 -1.680 -10.674 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.830 -4.738 -6.754 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.545 -2.304 -9.409 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.384 -3.833 -7.448 1.00 0.00 H new ATOM 500 N LEU A 33 -6.091 -1.871 -11.007 1.00 0.00 N ATOM 501 CA LEU A 33 -7.137 -0.936 -11.381 1.00 0.00 C ATOM 502 C LEU A 33 -8.442 -1.332 -10.688 1.00 0.00 C ATOM 503 O LEU A 33 -9.124 -0.442 -10.160 1.00 0.00 O ATOM 504 CB LEU A 33 -7.253 -0.842 -12.903 1.00 0.00 C ATOM 505 CG LEU A 33 -8.346 0.087 -13.437 1.00 0.00 C ATOM 506 CD1 LEU A 33 -8.386 1.397 -12.647 1.00 0.00 C ATOM 507 CD2 LEU A 33 -8.176 0.327 -14.938 1.00 0.00 C ATOM 0 H LEU A 33 -5.852 -2.544 -11.735 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.888 0.069 -11.041 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.294 -0.509 -13.301 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.431 -1.843 -13.296 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.310 -0.403 -13.297 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.171 2.039 -13.047 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.591 1.183 -11.598 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.425 1.903 -12.733 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.965 0.990 -15.292 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.205 0.786 -15.125 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.236 -0.624 -15.468 1.00 0.00 H new ATOM 519 N ASP A 34 -8.757 -2.640 -10.702 1.00 0.00 N ATOM 520 CA ASP A 34 -9.968 -3.146 -10.079 1.00 0.00 C ATOM 521 C ASP A 34 -9.937 -2.833 -8.582 1.00 0.00 C ATOM 522 O ASP A 34 -10.891 -2.212 -8.088 1.00 0.00 O ATOM 523 CB ASP A 34 -10.078 -4.664 -10.242 1.00 0.00 C ATOM 524 CG ASP A 34 -10.305 -5.145 -11.676 1.00 0.00 C ATOM 525 OD1 ASP A 34 -10.070 -4.268 -12.590 1.00 0.00 O ATOM 526 OD2 ASP A 34 -10.688 -6.302 -11.908 1.00 0.00 O ATOM 0 H ASP A 34 -8.181 -3.358 -11.142 1.00 0.00 H new ATOM 0 HA ASP A 34 -10.820 -2.668 -10.562 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -9.165 -5.122 -9.861 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.898 -5.023 -9.620 1.00 0.00 H new ATOM 531 N ARG A 35 -8.859 -3.259 -7.900 1.00 0.00 N ATOM 532 CA ARG A 35 -8.707 -3.026 -6.474 1.00 0.00 C ATOM 533 C ARG A 35 -8.745 -1.520 -6.201 1.00 0.00 C ATOM 534 O ARG A 35 -9.478 -1.104 -5.292 1.00 0.00 O ATOM 535 CB ARG A 35 -7.391 -3.598 -5.945 1.00 0.00 C ATOM 536 CG ARG A 35 -7.420 -5.129 -5.947 1.00 0.00 C ATOM 537 CD ARG A 35 -6.018 -5.704 -5.729 1.00 0.00 C ATOM 538 NE ARG A 35 -5.180 -4.729 -4.996 1.00 0.00 N ATOM 539 CZ ARG A 35 -4.595 -4.978 -3.805 1.00 0.00 C ATOM 540 NH1 ARG A 35 -4.773 -6.176 -3.233 1.00 0.00 N ATOM 541 NH2 ARG A 35 -3.849 -4.041 -3.204 1.00 0.00 N ATOM 0 H ARG A 35 -8.084 -3.767 -8.326 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.527 -3.530 -5.961 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.563 -3.245 -6.560 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.213 -3.235 -4.933 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.089 -5.485 -5.163 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.821 -5.488 -6.895 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.081 -6.636 -5.168 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.560 -5.941 -6.689 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.035 -3.811 -5.417 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.343 -6.883 -3.697 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.338 -6.381 -2.333 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.719 -3.131 -3.646 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.411 -4.238 -2.304 1.00 0.00 H new ATOM 555 N LEU A 36 -7.969 -0.747 -6.981 1.00 0.00 N ATOM 556 CA LEU A 36 -7.915 0.696 -6.825 1.00 0.00 C ATOM 557 C LEU A 36 -9.324 1.274 -6.972 1.00 0.00 C ATOM 558 O LEU A 36 -9.670 2.187 -6.208 1.00 0.00 O ATOM 559 CB LEU A 36 -6.898 1.303 -7.794 1.00 0.00 C ATOM 560 CG LEU A 36 -6.936 2.825 -7.940 1.00 0.00 C ATOM 561 CD1 LEU A 36 -6.591 3.511 -6.617 1.00 0.00 C ATOM 562 CD2 LEU A 36 -6.027 3.289 -9.080 1.00 0.00 C ATOM 0 H LEU A 36 -7.373 -1.110 -7.725 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.565 0.957 -5.826 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.899 1.014 -7.469 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.054 0.860 -8.778 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.953 3.118 -8.199 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.625 4.593 -6.748 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.312 3.215 -5.855 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.590 3.215 -6.304 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.072 4.375 -9.163 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.001 2.983 -8.875 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.359 2.840 -10.016 1.00 0.00 H new ATOM 574 N ARG A 37 -10.098 0.738 -7.934 1.00 0.00 N ATOM 575 CA ARG A 37 -11.454 1.198 -8.175 1.00 0.00 C ATOM 576 C ARG A 37 -12.282 1.025 -6.899 1.00 0.00 C ATOM 577 O ARG A 37 -12.857 2.018 -6.431 1.00 0.00 O ATOM 578 CB ARG A 37 -12.118 0.421 -9.314 1.00 0.00 C ATOM 579 CG ARG A 37 -12.375 1.327 -10.519 1.00 0.00 C ATOM 580 CD ARG A 37 -12.400 0.519 -11.818 1.00 0.00 C ATOM 581 NE ARG A 37 -13.715 -0.140 -11.980 1.00 0.00 N ATOM 582 CZ ARG A 37 -13.886 -1.368 -12.516 1.00 0.00 C ATOM 583 NH1 ARG A 37 -12.810 -2.050 -12.933 1.00 0.00 N ATOM 584 NH2 ARG A 37 -15.111 -1.896 -12.627 1.00 0.00 N ATOM 0 H ARG A 37 -9.795 -0.015 -8.552 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.408 2.249 -8.461 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.481 -0.412 -9.610 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.060 -0.005 -8.968 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -13.325 1.847 -10.392 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.599 2.090 -10.576 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.206 1.174 -12.667 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -11.608 -0.230 -11.805 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.544 0.365 -11.667 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -11.880 -1.640 -12.843 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -12.921 -2.979 -13.340 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.924 -1.370 -12.306 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -15.232 -2.824 -13.033 1.00 0.00 H new ATOM 598 N ARG A 38 -12.323 -0.212 -6.373 1.00 0.00 N ATOM 599 CA ARG A 38 -13.073 -0.509 -5.163 1.00 0.00 C ATOM 600 C ARG A 38 -12.480 0.281 -3.994 1.00 0.00 C ATOM 601 O ARG A 38 -13.225 0.588 -3.053 1.00 0.00 O ATOM 602 CB ARG A 38 -13.039 -2.001 -4.831 1.00 0.00 C ATOM 603 CG ARG A 38 -13.461 -2.841 -6.038 1.00 0.00 C ATOM 604 CD ARG A 38 -14.161 -4.128 -5.593 1.00 0.00 C ATOM 605 NE ARG A 38 -15.597 -4.073 -5.949 1.00 0.00 N ATOM 606 CZ ARG A 38 -16.372 -5.162 -6.136 1.00 0.00 C ATOM 607 NH1 ARG A 38 -15.829 -6.378 -5.996 1.00 0.00 N ATOM 608 NH2 ARG A 38 -17.666 -5.027 -6.458 1.00 0.00 N ATOM 0 H ARG A 38 -11.841 -1.016 -6.776 1.00 0.00 H new ATOM 0 HA ARG A 38 -14.111 -0.222 -5.330 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -12.034 -2.285 -4.519 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -13.703 -2.206 -3.991 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -14.129 -2.260 -6.674 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -12.585 -3.088 -6.638 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -13.693 -4.990 -6.069 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -14.050 -4.259 -4.517 1.00 0.00 H new ATOM 0 HE ARG A 38 -16.027 -3.155 -6.060 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -14.843 -6.471 -5.751 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -16.401 -7.211 -6.134 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -18.071 -4.097 -6.563 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -18.246 -5.854 -6.598 1.00 0.00 H new ATOM 622 N ASP A 39 -11.173 0.586 -4.076 1.00 0.00 N ATOM 623 CA ASP A 39 -10.490 1.332 -3.033 1.00 0.00 C ATOM 624 C ASP A 39 -10.961 2.787 -3.060 1.00 0.00 C ATOM 625 O ASP A 39 -11.025 3.407 -1.988 1.00 0.00 O ATOM 626 CB ASP A 39 -8.976 1.321 -3.248 1.00 0.00 C ATOM 627 CG ASP A 39 -8.140 1.510 -1.981 1.00 0.00 C ATOM 628 OD1 ASP A 39 -8.487 1.000 -0.905 1.00 0.00 O ATOM 629 OD2 ASP A 39 -7.076 2.224 -2.131 1.00 0.00 O ATOM 0 H ASP A 39 -10.577 0.321 -4.860 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.721 0.862 -2.077 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.697 0.374 -3.711 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.719 2.110 -3.955 1.00 0.00 H new ATOM 634 N GLN A 40 -11.275 3.295 -4.265 1.00 0.00 N ATOM 635 CA GLN A 40 -11.735 4.665 -4.427 1.00 0.00 C ATOM 636 C GLN A 40 -13.058 4.845 -3.681 1.00 0.00 C ATOM 637 O GLN A 40 -13.099 5.649 -2.739 1.00 0.00 O ATOM 638 CB GLN A 40 -11.882 5.037 -5.904 1.00 0.00 C ATOM 639 CG GLN A 40 -12.585 6.386 -6.061 1.00 0.00 C ATOM 640 CD GLN A 40 -11.594 7.542 -5.910 1.00 0.00 C ATOM 641 OE1 GLN A 40 -11.038 7.624 -4.704 1.00 0.00 O flip ATOM 642 NE2 GLN A 40 -11.349 8.308 -6.827 1.00 0.00 N flip ATOM 0 H GLN A 40 -11.215 2.768 -5.136 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.989 5.338 -4.003 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.898 5.079 -6.372 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.449 4.264 -6.423 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.064 6.439 -7.039 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.373 6.478 -5.314 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.811 8.189 -7.728 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -10.682 9.068 -6.692 1.00 0.00 H new ATOM 651 N LYS A 41 -14.097 4.107 -4.110 1.00 0.00 N ATOM 652 CA LYS A 41 -15.408 4.185 -3.487 1.00 0.00 C ATOM 653 C LYS A 41 -15.267 3.954 -1.982 1.00 0.00 C ATOM 654 O LYS A 41 -15.966 4.629 -1.213 1.00 0.00 O ATOM 655 CB LYS A 41 -16.383 3.223 -4.169 1.00 0.00 C ATOM 656 CG LYS A 41 -17.699 3.926 -4.509 1.00 0.00 C ATOM 657 CD LYS A 41 -18.894 3.160 -3.937 1.00 0.00 C ATOM 658 CE LYS A 41 -18.975 3.327 -2.418 1.00 0.00 C ATOM 659 NZ LYS A 41 -20.369 3.545 -1.997 1.00 0.00 N ATOM 0 H LYS A 41 -14.042 3.451 -4.889 1.00 0.00 H new ATOM 0 HA LYS A 41 -15.834 5.180 -3.618 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -15.932 2.827 -5.079 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -16.579 2.373 -3.515 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -17.688 4.940 -4.109 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -17.801 4.011 -5.591 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -19.815 3.520 -4.396 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -18.806 2.103 -4.186 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -18.575 2.440 -1.927 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -18.358 4.170 -2.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -20.406 3.656 -0.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -20.739 4.404 -2.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -20.948 2.728 -2.278 1.00 0.00 H new ATOM 673 N SER A 42 -14.379 3.020 -1.596 1.00 0.00 N ATOM 674 CA SER A 42 -14.151 2.705 -0.196 1.00 0.00 C ATOM 675 C SER A 42 -13.555 3.926 0.506 1.00 0.00 C ATOM 676 O SER A 42 -13.985 4.230 1.628 1.00 0.00 O ATOM 677 CB SER A 42 -13.226 1.496 -0.036 1.00 0.00 C ATOM 678 OG SER A 42 -13.359 0.888 1.245 1.00 0.00 O ATOM 0 H SER A 42 -13.812 2.475 -2.245 1.00 0.00 H new ATOM 0 HA SER A 42 -15.107 2.448 0.261 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.451 0.763 -0.810 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.192 1.809 -0.183 1.00 0.00 H new ATOM 0 HG SER A 42 -12.754 0.120 1.307 1.00 0.00 H new ATOM 684 N LEU A 43 -12.591 4.591 -0.157 1.00 0.00 N ATOM 685 CA LEU A 43 -11.945 5.768 0.400 1.00 0.00 C ATOM 686 C LEU A 43 -12.975 6.889 0.548 1.00 0.00 C ATOM 687 O LEU A 43 -13.216 7.323 1.685 1.00 0.00 O ATOM 688 CB LEU A 43 -10.728 6.159 -0.440 1.00 0.00 C ATOM 689 CG LEU A 43 -9.709 7.074 0.240 1.00 0.00 C ATOM 690 CD1 LEU A 43 -8.890 6.306 1.279 1.00 0.00 C ATOM 691 CD2 LEU A 43 -8.817 7.767 -0.793 1.00 0.00 C ATOM 0 H LEU A 43 -12.250 4.323 -1.080 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.560 5.555 1.397 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.218 5.247 -0.750 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.080 6.651 -1.347 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.254 7.855 0.771 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.173 6.980 1.748 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.557 5.899 2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.356 5.491 0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.102 8.412 -0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.280 7.016 -1.372 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.434 8.368 -1.462 1.00 0.00 H new ATOM 703 N ARG A 44 -13.555 7.328 -0.583 1.00 0.00 N ATOM 704 CA ARG A 44 -14.549 8.388 -0.579 1.00 0.00 C ATOM 705 C ARG A 44 -15.505 8.179 0.597 1.00 0.00 C ATOM 706 O ARG A 44 -15.745 9.141 1.341 1.00 0.00 O ATOM 707 CB ARG A 44 -15.352 8.414 -1.881 1.00 0.00 C ATOM 708 CG ARG A 44 -16.169 9.703 -1.995 1.00 0.00 C ATOM 709 CD ARG A 44 -15.694 10.549 -3.177 1.00 0.00 C ATOM 710 NE ARG A 44 -16.325 10.072 -4.428 1.00 0.00 N ATOM 711 CZ ARG A 44 -16.809 10.886 -5.391 1.00 0.00 C ATOM 712 NH1 ARG A 44 -16.723 12.212 -5.223 1.00 0.00 N ATOM 713 NH2 ARG A 44 -17.368 10.375 -6.497 1.00 0.00 N ATOM 0 H ARG A 44 -13.344 6.956 -1.509 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.027 9.340 -0.484 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -14.675 8.332 -2.732 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -16.018 7.552 -1.919 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -17.224 9.459 -2.118 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -16.080 10.277 -1.073 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -15.946 11.596 -3.010 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -14.609 10.492 -3.263 1.00 0.00 H new ATOM 0 HE ARG A 44 -16.399 9.065 -4.572 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -16.297 12.592 -4.378 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -17.083 12.841 -5.940 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -17.430 9.364 -6.616 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -17.731 10.997 -7.219 1.00 0.00 H new ATOM 727 N GLY A 45 -16.026 6.946 0.739 1.00 0.00 N ATOM 728 CA GLY A 45 -16.946 6.617 1.815 1.00 0.00 C ATOM 729 C GLY A 45 -16.260 6.863 3.159 1.00 0.00 C ATOM 730 O GLY A 45 -16.866 7.519 4.019 1.00 0.00 O ATOM 0 H GLY A 45 -15.817 6.167 0.114 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -17.847 7.225 1.737 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -17.257 5.575 1.738 1.00 0.00 H new ATOM 734 N ARG A 46 -15.031 6.339 3.314 1.00 0.00 N ATOM 735 CA ARG A 46 -14.274 6.502 4.543 1.00 0.00 C ATOM 736 C ARG A 46 -14.100 7.993 4.837 1.00 0.00 C ATOM 737 O ARG A 46 -14.669 8.469 5.830 1.00 0.00 O ATOM 738 CB ARG A 46 -12.896 5.843 4.447 1.00 0.00 C ATOM 739 CG ARG A 46 -12.990 4.336 4.687 1.00 0.00 C ATOM 740 CD ARG A 46 -11.615 3.744 5.004 1.00 0.00 C ATOM 741 NE ARG A 46 -11.673 2.980 6.270 1.00 0.00 N ATOM 742 CZ ARG A 46 -10.629 2.834 7.114 1.00 0.00 C ATOM 743 NH1 ARG A 46 -9.458 3.409 6.806 1.00 0.00 N ATOM 744 NH2 ARG A 46 -10.762 2.126 8.244 1.00 0.00 N ATOM 0 H ARG A 46 -14.550 5.799 2.594 1.00 0.00 H new ATOM 0 HA ARG A 46 -14.827 6.017 5.347 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.467 6.032 3.463 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.224 6.290 5.179 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.674 4.138 5.512 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.405 3.849 3.805 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.294 3.093 4.191 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.876 4.541 5.084 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.556 2.536 6.521 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.365 3.947 5.945 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.660 3.308 7.433 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.657 1.693 8.472 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.968 2.021 8.876 1.00 0.00 H new ATOM 758 N GLY A 47 -13.328 8.690 3.983 1.00 0.00 N ATOM 759 CA GLY A 47 -13.084 10.112 4.150 1.00 0.00 C ATOM 760 C GLY A 47 -14.409 10.823 4.432 1.00 0.00 C ATOM 761 O GLY A 47 -14.581 11.329 5.550 1.00 0.00 O ATOM 0 H GLY A 47 -12.867 8.279 3.172 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.387 10.279 4.971 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.622 10.521 3.251 1.00 0.00 H new ATOM 765 N SER A 48 -15.305 10.847 3.428 1.00 0.00 N ATOM 766 CA SER A 48 -16.600 11.490 3.567 1.00 0.00 C ATOM 767 C SER A 48 -17.155 11.212 4.966 1.00 0.00 C ATOM 768 O SER A 48 -17.379 12.175 5.713 1.00 0.00 O ATOM 769 CB SER A 48 -17.584 11.006 2.501 1.00 0.00 C ATOM 770 OG SER A 48 -18.802 11.745 2.523 1.00 0.00 O ATOM 0 H SER A 48 -15.144 10.424 2.514 1.00 0.00 H new ATOM 0 HA SER A 48 -16.469 12.563 3.429 1.00 0.00 H new ATOM 0 HB2 SER A 48 -17.124 11.094 1.517 1.00 0.00 H new ATOM 0 HB3 SER A 48 -17.798 9.949 2.659 1.00 0.00 H new ATOM 0 HG SER A 48 -19.403 11.407 1.827 1.00 0.00 H new ATOM 776 N THR A 49 -17.362 9.923 5.286 1.00 0.00 N ATOM 777 CA THR A 49 -17.885 9.526 6.582 1.00 0.00 C ATOM 778 C THR A 49 -17.269 10.410 7.669 1.00 0.00 C ATOM 779 O THR A 49 -18.031 11.004 8.448 1.00 0.00 O ATOM 780 CB THR A 49 -17.609 8.034 6.785 1.00 0.00 C ATOM 781 OG1 THR A 49 -18.755 7.392 6.234 1.00 0.00 O ATOM 782 CG2 THR A 49 -17.628 7.630 8.261 1.00 0.00 C ATOM 0 H THR A 49 -17.171 9.145 4.655 1.00 0.00 H new ATOM 0 HA THR A 49 -18.964 9.668 6.638 1.00 0.00 H new ATOM 0 HB THR A 49 -16.641 7.782 6.353 1.00 0.00 H new ATOM 0 HG1 THR A 49 -18.584 7.167 5.296 1.00 0.00 H new ATOM 0 HG21 THR A 49 -17.427 6.562 8.349 1.00 0.00 H new ATOM 0 HG22 THR A 49 -16.864 8.189 8.801 1.00 0.00 H new ATOM 0 HG23 THR A 49 -18.607 7.851 8.686 1.00 0.00 H new ATOM 790 N LEU A 50 -15.927 10.480 7.699 1.00 0.00 N ATOM 791 CA LEU A 50 -15.219 11.285 8.681 1.00 0.00 C ATOM 792 C LEU A 50 -15.466 12.767 8.392 1.00 0.00 C ATOM 793 O LEU A 50 -16.031 13.452 9.257 1.00 0.00 O ATOM 794 CB LEU A 50 -13.739 10.904 8.719 1.00 0.00 C ATOM 795 CG LEU A 50 -13.174 10.545 10.095 1.00 0.00 C ATOM 796 CD1 LEU A 50 -11.741 10.022 9.980 1.00 0.00 C ATOM 797 CD2 LEU A 50 -13.275 11.732 11.056 1.00 0.00 C ATOM 0 H LEU A 50 -15.319 9.983 7.048 1.00 0.00 H new ATOM 0 HA LEU A 50 -15.600 11.087 9.683 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -13.585 10.055 8.052 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.160 11.735 8.316 1.00 0.00 H new ATOM 0 HG LEU A 50 -13.778 9.740 10.513 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -11.363 9.774 10.972 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -11.728 9.130 9.354 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.109 10.789 9.532 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -12.867 11.450 12.027 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -12.710 12.574 10.655 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -14.320 12.019 11.172 1.00 0.00 H new ATOM 809 N GLY A 51 -15.044 13.226 7.200 1.00 0.00 N ATOM 810 CA GLY A 51 -15.219 14.614 6.803 1.00 0.00 C ATOM 811 C GLY A 51 -13.908 15.371 7.025 1.00 0.00 C ATOM 812 O GLY A 51 -13.956 16.599 7.183 1.00 0.00 O ATOM 0 H GLY A 51 -14.580 12.646 6.501 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -15.512 14.670 5.755 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -16.020 15.072 7.383 1.00 0.00 H new ATOM 816 N LEU A 52 -12.781 14.635 7.033 1.00 0.00 N ATOM 817 CA LEU A 52 -11.472 15.234 7.234 1.00 0.00 C ATOM 818 C LEU A 52 -11.022 15.912 5.938 1.00 0.00 C ATOM 819 O LEU A 52 -11.529 17.002 5.635 1.00 0.00 O ATOM 820 CB LEU A 52 -10.482 14.193 7.760 1.00 0.00 C ATOM 821 CG LEU A 52 -10.789 13.614 9.142 1.00 0.00 C ATOM 822 CD1 LEU A 52 -9.660 12.695 9.614 1.00 0.00 C ATOM 823 CD2 LEU A 52 -11.081 14.726 10.150 1.00 0.00 C ATOM 0 H LEU A 52 -12.763 13.624 6.901 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.520 16.009 7.999 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.436 13.371 7.046 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.491 14.646 7.790 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.690 13.005 9.065 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.903 12.296 10.599 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.542 11.872 8.909 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.730 13.261 9.671 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -11.296 14.287 11.124 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.213 15.381 10.231 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.942 15.304 9.815 1.00 0.00 H new ATOM 835 N ASN A 53 -10.094 15.265 5.211 1.00 0.00 N ATOM 836 CA ASN A 53 -9.582 15.801 3.961 1.00 0.00 C ATOM 837 C ASN A 53 -8.631 14.786 3.326 1.00 0.00 C ATOM 838 O ASN A 53 -7.467 14.723 3.750 1.00 0.00 O ATOM 839 CB ASN A 53 -8.804 17.097 4.196 1.00 0.00 C ATOM 840 CG ASN A 53 -9.414 18.255 3.404 1.00 0.00 C ATOM 841 OD1 ASN A 53 -9.770 19.290 3.944 1.00 0.00 O ATOM 842 ND2 ASN A 53 -9.516 18.024 2.099 1.00 0.00 N ATOM 0 H ASN A 53 -9.689 14.368 5.478 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.431 16.003 3.308 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.805 17.338 5.259 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.764 16.959 3.902 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.912 18.736 1.485 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.199 17.135 1.712 1.00 0.00 H new ATOM 849 N ILE A 54 -9.135 14.023 2.339 1.00 0.00 N ATOM 850 CA ILE A 54 -8.335 13.021 1.656 1.00 0.00 C ATOM 851 C ILE A 54 -6.900 13.532 1.512 1.00 0.00 C ATOM 852 O ILE A 54 -5.970 12.769 1.815 1.00 0.00 O ATOM 853 CB ILE A 54 -8.985 12.633 0.326 1.00 0.00 C ATOM 854 CG1 ILE A 54 -9.876 11.400 0.490 1.00 0.00 C ATOM 855 CG2 ILE A 54 -7.930 12.436 -0.765 1.00 0.00 C ATOM 856 CD1 ILE A 54 -11.034 11.684 1.450 1.00 0.00 C ATOM 0 H ILE A 54 -10.096 14.091 2.005 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.290 12.104 2.243 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.627 13.455 0.008 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.269 11.099 -0.481 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.283 10.566 0.866 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.420 12.161 -1.699 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.375 13.363 -0.906 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.243 11.643 -0.468 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.652 10.792 1.549 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.637 11.961 2.427 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.639 12.502 1.059 1.00 0.00 H new ATOM 868 N GLU A 55 -6.750 14.790 1.061 1.00 0.00 N ATOM 869 CA GLU A 55 -5.440 15.393 0.882 1.00 0.00 C ATOM 870 C GLU A 55 -4.722 15.451 2.231 1.00 0.00 C ATOM 871 O GLU A 55 -3.663 14.819 2.363 1.00 0.00 O ATOM 872 CB GLU A 55 -5.544 16.784 0.254 1.00 0.00 C ATOM 873 CG GLU A 55 -4.657 16.892 -0.988 1.00 0.00 C ATOM 874 CD GLU A 55 -4.634 18.326 -1.522 1.00 0.00 C ATOM 875 OE1 GLU A 55 -4.770 19.243 -0.626 1.00 0.00 O ATOM 876 OE2 GLU A 55 -4.492 18.534 -2.737 1.00 0.00 O ATOM 0 H GLU A 55 -7.529 15.401 0.816 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.861 14.777 0.194 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -6.580 16.989 -0.016 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -5.249 17.539 0.983 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.643 16.575 -0.744 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.025 16.218 -1.762 1.00 0.00 H new ATOM 883 N ALA A 56 -5.299 16.198 3.188 1.00 0.00 N ATOM 884 CA ALA A 56 -4.716 16.335 4.513 1.00 0.00 C ATOM 885 C ALA A 56 -4.299 14.957 5.028 1.00 0.00 C ATOM 886 O ALA A 56 -3.102 14.758 5.278 1.00 0.00 O ATOM 887 CB ALA A 56 -5.774 16.856 5.488 1.00 0.00 C ATOM 0 H ALA A 56 -6.170 16.713 3.058 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.866 17.014 4.448 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.335 16.958 6.481 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.134 17.827 5.149 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.607 16.154 5.530 1.00 0.00 H new ATOM 893 N ALA A 57 -5.279 14.047 5.174 1.00 0.00 N ATOM 894 CA ALA A 57 -5.015 12.701 5.655 1.00 0.00 C ATOM 895 C ALA A 57 -3.784 12.141 4.938 1.00 0.00 C ATOM 896 O ALA A 57 -2.757 11.938 5.602 1.00 0.00 O ATOM 897 CB ALA A 57 -6.182 11.784 5.284 1.00 0.00 C ATOM 0 H ALA A 57 -6.260 14.231 4.962 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.870 12.742 6.735 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.982 10.776 5.646 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.098 12.158 5.741 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.299 11.764 4.200 1.00 0.00 H new ATOM 903 N THR A 58 -3.911 11.905 3.620 1.00 0.00 N ATOM 904 CA THR A 58 -2.816 11.374 2.825 1.00 0.00 C ATOM 905 C THR A 58 -1.546 12.175 3.113 1.00 0.00 C ATOM 906 O THR A 58 -0.452 11.602 3.012 1.00 0.00 O ATOM 907 CB THR A 58 -3.228 11.397 1.351 1.00 0.00 C ATOM 908 OG1 THR A 58 -2.687 10.189 0.821 1.00 0.00 O ATOM 909 CG2 THR A 58 -2.519 12.500 0.563 1.00 0.00 C ATOM 0 H THR A 58 -4.767 12.078 3.093 1.00 0.00 H new ATOM 0 HA THR A 58 -2.596 10.339 3.086 1.00 0.00 H new ATOM 0 HB THR A 58 -4.307 11.534 1.277 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.236 9.888 0.067 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.847 12.473 -0.476 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.763 13.470 0.995 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.441 12.344 0.608 1.00 0.00 H new ATOM 917 N HIS A 59 -1.713 13.465 3.461 1.00 0.00 N ATOM 918 CA HIS A 59 -0.586 14.332 3.760 1.00 0.00 C ATOM 919 C HIS A 59 0.184 13.767 4.955 1.00 0.00 C ATOM 920 O HIS A 59 1.334 13.344 4.767 1.00 0.00 O ATOM 921 CB HIS A 59 -1.051 15.774 3.983 1.00 0.00 C ATOM 922 CG HIS A 59 -0.123 16.814 3.402 1.00 0.00 C ATOM 923 ND1 HIS A 59 0.295 17.926 4.112 1.00 0.00 N ATOM 924 CD2 HIS A 59 0.464 16.898 2.174 1.00 0.00 C ATOM 925 CE1 HIS A 59 1.095 18.642 3.335 1.00 0.00 C ATOM 926 NE2 HIS A 59 1.199 18.003 2.135 1.00 0.00 N ATOM 0 H HIS A 59 -2.623 13.919 3.539 1.00 0.00 H new ATOM 0 HA HIS A 59 0.094 14.361 2.909 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -2.041 15.898 3.543 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -1.154 15.951 5.054 1.00 0.00 H new ATOM 0 HD2 HIS A 59 0.350 16.186 1.370 1.00 0.00 H new ATOM 0 HE1 HIS A 59 1.579 19.569 3.605 1.00 0.00 H new ATOM 0 HE2 HIS A 59 1.751 18.322 1.338 1.00 0.00 H new ATOM 934 N VAL A 60 -0.452 13.772 6.140 1.00 0.00 N ATOM 935 CA VAL A 60 0.170 13.262 7.350 1.00 0.00 C ATOM 936 C VAL A 60 0.695 11.848 7.093 1.00 0.00 C ATOM 937 O VAL A 60 1.803 11.538 7.554 1.00 0.00 O ATOM 938 CB VAL A 60 -0.820 13.330 8.515 1.00 0.00 C ATOM 939 CG1 VAL A 60 -0.614 12.159 9.478 1.00 0.00 C ATOM 940 CG2 VAL A 60 -0.712 14.668 9.249 1.00 0.00 C ATOM 0 H VAL A 60 -1.399 14.127 6.274 1.00 0.00 H new ATOM 0 HA VAL A 60 1.024 13.879 7.629 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.827 13.253 8.104 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.330 12.231 10.297 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.764 11.220 8.946 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.399 12.191 9.878 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.426 14.690 10.072 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.298 14.787 9.641 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.931 15.481 8.557 1.00 0.00 H new ATOM 950 N GLY A 61 -0.097 11.034 6.373 1.00 0.00 N ATOM 951 CA GLY A 61 0.286 9.667 6.060 1.00 0.00 C ATOM 952 C GLY A 61 1.630 9.674 5.328 1.00 0.00 C ATOM 953 O GLY A 61 2.521 8.909 5.725 1.00 0.00 O ATOM 0 H GLY A 61 -1.006 11.310 6.001 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.360 9.079 6.975 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.477 9.196 5.440 1.00 0.00 H new ATOM 957 N LYS A 62 1.748 10.523 4.293 1.00 0.00 N ATOM 958 CA LYS A 62 2.972 10.626 3.516 1.00 0.00 C ATOM 959 C LYS A 62 4.151 10.869 4.460 1.00 0.00 C ATOM 960 O LYS A 62 5.243 10.353 4.184 1.00 0.00 O ATOM 961 CB LYS A 62 2.827 11.689 2.425 1.00 0.00 C ATOM 962 CG LYS A 62 4.164 12.382 2.155 1.00 0.00 C ATOM 963 CD LYS A 62 5.189 11.396 1.593 1.00 0.00 C ATOM 964 CE LYS A 62 6.551 11.575 2.267 1.00 0.00 C ATOM 965 NZ LYS A 62 7.505 12.206 1.341 1.00 0.00 N ATOM 0 H LYS A 62 1.002 11.145 3.983 1.00 0.00 H new ATOM 0 HA LYS A 62 3.171 9.691 2.992 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.461 11.227 1.508 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.085 12.428 2.728 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.018 13.201 1.450 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.544 12.820 3.078 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.837 10.375 1.743 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.289 11.544 0.518 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.443 12.189 3.161 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.934 10.607 2.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.424 12.320 1.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.621 11.606 0.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.145 13.139 1.054 1.00 0.00 H new ATOM 979 N GLN A 63 3.910 11.637 5.537 1.00 0.00 N ATOM 980 CA GLN A 63 4.946 11.944 6.511 1.00 0.00 C ATOM 981 C GLN A 63 5.250 10.693 7.336 1.00 0.00 C ATOM 982 O GLN A 63 6.428 10.465 7.649 1.00 0.00 O ATOM 983 CB GLN A 63 4.540 13.111 7.413 1.00 0.00 C ATOM 984 CG GLN A 63 5.157 14.423 6.924 1.00 0.00 C ATOM 985 CD GLN A 63 4.373 14.989 5.738 1.00 0.00 C ATOM 986 OE1 GLN A 63 3.056 15.011 5.922 1.00 0.00 O flip ATOM 987 NE2 GLN A 63 4.927 15.380 4.724 1.00 0.00 N flip ATOM 0 H GLN A 63 3.002 12.052 5.746 1.00 0.00 H new ATOM 0 HA GLN A 63 5.846 12.252 5.980 1.00 0.00 H new ATOM 0 HB2 GLN A 63 3.454 13.200 7.431 1.00 0.00 H new ATOM 0 HB3 GLN A 63 4.861 12.913 8.436 1.00 0.00 H new ATOM 0 HG2 GLN A 63 5.168 15.149 7.737 1.00 0.00 H new ATOM 0 HG3 GLN A 63 6.194 14.255 6.632 1.00 0.00 H new ATOM 0 HE21 GLN A 63 5.943 15.335 4.648 1.00 0.00 H new ATOM 0 HE22 GLN A 63 4.374 15.752 3.952 1.00 0.00 H new ATOM 996 N ILE A 64 4.201 9.918 7.667 1.00 0.00 N ATOM 997 CA ILE A 64 4.356 8.703 8.447 1.00 0.00 C ATOM 998 C ILE A 64 5.249 7.722 7.685 1.00 0.00 C ATOM 999 O ILE A 64 6.146 7.135 8.307 1.00 0.00 O ATOM 1000 CB ILE A 64 2.988 8.127 8.819 1.00 0.00 C ATOM 1001 CG1 ILE A 64 2.785 8.134 10.336 1.00 0.00 C ATOM 1002 CG2 ILE A 64 2.799 6.732 8.222 1.00 0.00 C ATOM 1003 CD1 ILE A 64 3.621 7.041 11.005 1.00 0.00 C ATOM 0 H ILE A 64 3.238 10.123 7.399 1.00 0.00 H new ATOM 0 HA ILE A 64 4.854 8.919 9.392 1.00 0.00 H new ATOM 0 HB ILE A 64 2.219 8.768 8.388 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.063 9.108 10.739 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.730 7.983 10.566 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.819 6.346 8.502 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.870 6.788 7.136 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.573 6.066 8.602 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.459 7.067 12.083 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.324 6.067 10.617 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.677 7.209 10.793 1.00 0.00 H new ATOM 1015 N VAL A 65 4.991 7.567 6.374 1.00 0.00 N ATOM 1016 CA VAL A 65 5.766 6.666 5.538 1.00 0.00 C ATOM 1017 C VAL A 65 7.208 7.171 5.451 1.00 0.00 C ATOM 1018 O VAL A 65 8.127 6.368 5.665 1.00 0.00 O ATOM 1019 CB VAL A 65 5.100 6.521 4.168 1.00 0.00 C ATOM 1020 CG1 VAL A 65 6.021 5.795 3.185 1.00 0.00 C ATOM 1021 CG2 VAL A 65 3.753 5.804 4.287 1.00 0.00 C ATOM 0 H VAL A 65 4.247 8.061 5.880 1.00 0.00 H new ATOM 0 HA VAL A 65 5.797 5.669 5.977 1.00 0.00 H new ATOM 0 HB VAL A 65 4.915 7.522 3.778 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.524 5.705 2.219 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.945 6.361 3.066 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.251 4.801 3.568 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.300 5.714 3.300 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.906 4.810 4.708 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.092 6.377 4.938 1.00 0.00 H new ATOM 1031 N GLU A 66 7.373 8.470 5.145 1.00 0.00 N ATOM 1032 CA GLU A 66 8.690 9.073 5.031 1.00 0.00 C ATOM 1033 C GLU A 66 9.452 8.871 6.343 1.00 0.00 C ATOM 1034 O GLU A 66 10.685 8.757 6.296 1.00 0.00 O ATOM 1035 CB GLU A 66 8.600 10.557 4.671 1.00 0.00 C ATOM 1036 CG GLU A 66 9.133 11.430 5.810 1.00 0.00 C ATOM 1037 CD GLU A 66 9.060 12.914 5.441 1.00 0.00 C ATOM 1038 OE1 GLU A 66 9.822 13.271 4.464 1.00 0.00 O ATOM 1039 OE2 GLU A 66 8.309 13.673 6.071 1.00 0.00 O ATOM 0 H GLU A 66 6.601 9.115 4.974 1.00 0.00 H new ATOM 0 HA GLU A 66 9.231 8.584 4.221 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.170 10.750 3.762 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.564 10.822 4.459 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.554 11.247 6.715 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.165 11.156 6.031 1.00 0.00 H new ATOM 1046 N LYS A 67 8.716 8.833 7.468 1.00 0.00 N ATOM 1047 CA LYS A 67 9.318 8.648 8.776 1.00 0.00 C ATOM 1048 C LYS A 67 9.850 7.218 8.891 1.00 0.00 C ATOM 1049 O LYS A 67 10.888 7.024 9.540 1.00 0.00 O ATOM 1050 CB LYS A 67 8.330 9.027 9.880 1.00 0.00 C ATOM 1051 CG LYS A 67 8.870 8.639 11.257 1.00 0.00 C ATOM 1052 CD LYS A 67 7.772 8.722 12.321 1.00 0.00 C ATOM 1053 CE LYS A 67 8.355 9.114 13.680 1.00 0.00 C ATOM 1054 NZ LYS A 67 9.224 8.043 14.196 1.00 0.00 N ATOM 0 H LYS A 67 7.701 8.929 7.484 1.00 0.00 H new ATOM 0 HA LYS A 67 10.170 9.316 8.900 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.139 10.100 9.849 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.376 8.529 9.706 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.271 7.626 11.222 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.694 9.299 11.528 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.022 9.453 12.019 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.266 7.760 12.402 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.924 10.039 13.585 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.548 9.308 14.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.571 8.303 15.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.684 7.157 14.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.032 7.912 13.555 1.00 0.00 H new ATOM 1068 N ILE A 68 9.140 6.260 8.268 1.00 0.00 N ATOM 1069 CA ILE A 68 9.537 4.863 8.300 1.00 0.00 C ATOM 1070 C ILE A 68 10.699 4.645 7.329 1.00 0.00 C ATOM 1071 O ILE A 68 11.524 3.755 7.586 1.00 0.00 O ATOM 1072 CB ILE A 68 8.334 3.958 8.032 1.00 0.00 C ATOM 1073 CG1 ILE A 68 7.638 3.568 9.337 1.00 0.00 C ATOM 1074 CG2 ILE A 68 8.742 2.732 7.212 1.00 0.00 C ATOM 1075 CD1 ILE A 68 6.128 3.805 9.245 1.00 0.00 C ATOM 0 H ILE A 68 8.288 6.441 7.738 1.00 0.00 H new ATOM 0 HA ILE A 68 9.896 4.592 9.293 1.00 0.00 H new ATOM 0 HB ILE A 68 7.612 4.518 7.438 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.832 2.518 9.557 1.00 0.00 H new ATOM 0 HG13 ILE A 68 8.051 4.149 10.162 1.00 0.00 H new ATOM 0 HG21 ILE A 68 7.868 2.105 7.035 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.156 3.055 6.257 1.00 0.00 H new ATOM 0 HG23 ILE A 68 9.493 2.162 7.759 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.657 3.520 10.186 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.937 4.860 9.049 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.714 3.204 8.435 1.00 0.00 H new ATOM 1087 N LEU A 69 10.743 5.449 6.252 1.00 0.00 N ATOM 1088 CA LEU A 69 11.794 5.345 5.256 1.00 0.00 C ATOM 1089 C LEU A 69 13.109 5.849 5.853 1.00 0.00 C ATOM 1090 O LEU A 69 14.155 5.240 5.578 1.00 0.00 O ATOM 1091 CB LEU A 69 11.387 6.066 3.968 1.00 0.00 C ATOM 1092 CG LEU A 69 10.139 5.529 3.266 1.00 0.00 C ATOM 1093 CD1 LEU A 69 10.135 5.914 1.785 1.00 0.00 C ATOM 1094 CD2 LEU A 69 10.003 4.019 3.467 1.00 0.00 C ATOM 0 H LEU A 69 10.055 6.177 6.060 1.00 0.00 H new ATOM 0 HA LEU A 69 11.949 4.303 4.975 1.00 0.00 H new ATOM 0 HB2 LEU A 69 11.225 7.119 4.200 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.222 6.018 3.269 1.00 0.00 H new ATOM 0 HG LEU A 69 9.264 5.993 3.722 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.237 5.520 1.309 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.149 7.000 1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.016 5.497 1.298 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.107 3.663 2.958 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.878 3.517 3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.926 3.799 4.532 1.00 0.00 H new ATOM 1106 N LYS A 70 13.035 6.933 6.645 1.00 0.00 N ATOM 1107 CA LYS A 70 14.210 7.511 7.274 1.00 0.00 C ATOM 1108 C LYS A 70 14.863 6.467 8.182 1.00 0.00 C ATOM 1109 O LYS A 70 16.072 6.578 8.432 1.00 0.00 O ATOM 1110 CB LYS A 70 13.848 8.811 7.994 1.00 0.00 C ATOM 1111 CG LYS A 70 13.173 8.525 9.337 1.00 0.00 C ATOM 1112 CD LYS A 70 13.970 9.136 10.492 1.00 0.00 C ATOM 1113 CE LYS A 70 15.360 8.504 10.593 1.00 0.00 C ATOM 1114 NZ LYS A 70 15.262 7.119 11.083 1.00 0.00 N ATOM 0 H LYS A 70 12.164 7.420 6.858 1.00 0.00 H new ATOM 0 HA LYS A 70 14.948 7.786 6.521 1.00 0.00 H new ATOM 0 HB2 LYS A 70 14.748 9.405 8.155 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.182 9.405 7.367 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.161 8.931 9.334 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.084 7.448 9.481 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.065 10.212 10.344 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.431 8.990 11.428 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.844 8.517 9.616 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.985 9.091 11.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.970 6.529 10.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.436 7.100 12.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.311 6.748 10.886 1.00 0.00 H new ATOM 1128 N GLU A 71 14.064 5.490 8.649 1.00 0.00 N ATOM 1129 CA GLU A 71 14.562 4.439 9.520 1.00 0.00 C ATOM 1130 C GLU A 71 15.232 3.356 8.672 1.00 0.00 C ATOM 1131 O GLU A 71 16.028 2.582 9.224 1.00 0.00 O ATOM 1132 CB GLU A 71 13.445 3.848 10.381 1.00 0.00 C ATOM 1133 CG GLU A 71 12.258 4.809 10.474 1.00 0.00 C ATOM 1134 CD GLU A 71 11.174 4.252 11.400 1.00 0.00 C ATOM 1135 OE1 GLU A 71 10.995 3.028 11.481 1.00 0.00 O ATOM 1136 OE2 GLU A 71 10.505 5.142 12.052 1.00 0.00 O ATOM 0 H GLU A 71 13.070 5.417 8.430 1.00 0.00 H new ATOM 0 HA GLU A 71 15.296 4.868 10.202 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.117 2.899 9.956 1.00 0.00 H new ATOM 0 HB3 GLU A 71 13.825 3.636 11.380 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.597 5.776 10.845 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.842 4.976 9.480 1.00 0.00 H new ATOM 1143 N GLU A 72 14.902 3.321 7.368 1.00 0.00 N ATOM 1144 CA GLU A 72 15.468 2.341 6.457 1.00 0.00 C ATOM 1145 C GLU A 72 15.214 2.785 5.015 1.00 0.00 C ATOM 1146 O GLU A 72 14.130 2.490 4.489 1.00 0.00 O ATOM 1147 CB GLU A 72 14.898 0.944 6.709 1.00 0.00 C ATOM 1148 CG GLU A 72 13.387 1.003 6.944 1.00 0.00 C ATOM 1149 CD GLU A 72 12.684 -0.193 6.297 1.00 0.00 C ATOM 1150 OE1 GLU A 72 13.009 -1.347 6.613 1.00 0.00 O ATOM 1151 OE2 GLU A 72 11.770 0.111 5.439 1.00 0.00 O ATOM 0 H GLU A 72 14.244 3.967 6.932 1.00 0.00 H new ATOM 0 HA GLU A 72 16.542 2.281 6.631 1.00 0.00 H new ATOM 0 HB2 GLU A 72 15.112 0.300 5.856 1.00 0.00 H new ATOM 0 HB3 GLU A 72 15.387 0.498 7.575 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.182 1.014 8.014 1.00 0.00 H new ATOM 0 HG3 GLU A 72 12.987 1.930 6.533 1.00 0.00 H new ATOM 1158 N SER A 73 16.200 3.475 4.414 1.00 0.00 N ATOM 1159 CA SER A 73 16.084 3.953 3.047 1.00 0.00 C ATOM 1160 C SER A 73 15.554 2.824 2.160 1.00 0.00 C ATOM 1161 O SER A 73 14.467 2.932 1.597 1.00 0.00 O ATOM 1162 CB SER A 73 17.425 4.460 2.515 1.00 0.00 C ATOM 1163 OG SER A 73 18.367 3.405 2.346 1.00 0.00 O ATOM 0 H SER A 73 17.084 3.709 4.865 1.00 0.00 H new ATOM 0 HA SER A 73 15.388 4.791 3.032 1.00 0.00 H new ATOM 0 HB2 SER A 73 17.269 4.963 1.561 1.00 0.00 H new ATOM 0 HB3 SER A 73 17.831 5.201 3.203 1.00 0.00 H new ATOM 0 HG SER A 73 19.209 3.770 2.003 1.00 0.00 H new TER 1169 SER A 73 ATOM 1170 N MET B 1 8.761 -12.720 -16.789 1.00 0.00 N ATOM 1171 CA MET B 1 7.569 -13.481 -16.454 1.00 0.00 C ATOM 1172 C MET B 1 6.330 -12.618 -16.707 1.00 0.00 C ATOM 1173 O MET B 1 6.215 -11.554 -16.082 1.00 0.00 O ATOM 1174 CB MET B 1 7.604 -13.906 -14.985 1.00 0.00 C ATOM 1175 CG MET B 1 7.526 -15.428 -14.853 1.00 0.00 C ATOM 1176 SD MET B 1 6.051 -16.052 -15.711 1.00 0.00 S ATOM 1177 CE MET B 1 5.473 -17.274 -14.497 1.00 0.00 C ATOM 0 H1 MET B 1 9.605 -13.304 -16.618 1.00 0.00 H new ATOM 0 H2 MET B 1 8.727 -12.445 -17.791 1.00 0.00 H new ATOM 0 H3 MET B 1 8.805 -11.866 -16.197 1.00 0.00 H new ATOM 0 HA MET B 1 7.532 -14.374 -17.077 1.00 0.00 H new ATOM 0 HB2 MET B 1 8.521 -13.543 -14.520 1.00 0.00 H new ATOM 0 HB3 MET B 1 6.772 -13.448 -14.450 1.00 0.00 H new ATOM 0 HG2 MET B 1 8.422 -15.884 -15.274 1.00 0.00 H new ATOM 0 HG3 MET B 1 7.490 -15.709 -13.800 1.00 0.00 H new ATOM 0 HE1 MET B 1 4.599 -17.793 -14.891 1.00 0.00 H new ATOM 0 HE2 MET B 1 6.266 -17.996 -14.302 1.00 0.00 H new ATOM 0 HE3 MET B 1 5.207 -16.767 -13.569 1.00 0.00 H new ATOM 1187 N ASP B 2 5.444 -13.086 -17.604 1.00 0.00 N ATOM 1188 CA ASP B 2 4.227 -12.363 -17.933 1.00 0.00 C ATOM 1189 C ASP B 2 4.594 -10.990 -18.500 1.00 0.00 C ATOM 1190 O ASP B 2 4.732 -10.875 -19.727 1.00 0.00 O ATOM 1191 CB ASP B 2 3.361 -12.147 -16.691 1.00 0.00 C ATOM 1192 CG ASP B 2 2.908 -13.426 -15.987 1.00 0.00 C ATOM 1193 OD1 ASP B 2 2.863 -14.507 -16.594 1.00 0.00 O ATOM 1194 OD2 ASP B 2 2.588 -13.283 -14.746 1.00 0.00 O ATOM 0 H ASP B 2 5.559 -13.965 -18.109 1.00 0.00 H new ATOM 0 HA ASP B 2 3.670 -12.953 -18.661 1.00 0.00 H new ATOM 0 HB2 ASP B 2 3.918 -11.537 -15.980 1.00 0.00 H new ATOM 0 HB3 ASP B 2 2.478 -11.576 -16.977 1.00 0.00 H new ATOM 1199 N SER B 3 4.741 -9.991 -17.610 1.00 0.00 N ATOM 1200 CA SER B 3 5.088 -8.640 -18.020 1.00 0.00 C ATOM 1201 C SER B 3 4.565 -7.648 -16.980 1.00 0.00 C ATOM 1202 O SER B 3 5.266 -7.410 -15.986 1.00 0.00 O ATOM 1203 CB SER B 3 4.519 -8.311 -19.402 1.00 0.00 C ATOM 1204 OG SER B 3 5.459 -8.568 -20.441 1.00 0.00 O ATOM 0 H SER B 3 4.622 -10.106 -16.603 1.00 0.00 H new ATOM 0 HA SER B 3 6.173 -8.565 -18.087 1.00 0.00 H new ATOM 0 HB2 SER B 3 3.619 -8.901 -19.573 1.00 0.00 H new ATOM 0 HB3 SER B 3 4.223 -7.262 -19.432 1.00 0.00 H new ATOM 0 HG SER B 3 5.644 -9.529 -20.485 1.00 0.00 H new ATOM 1210 N ASN B 4 3.362 -7.097 -17.225 1.00 0.00 N ATOM 1211 CA ASN B 4 2.754 -6.139 -16.315 1.00 0.00 C ATOM 1212 C ASN B 4 2.306 -6.863 -15.044 1.00 0.00 C ATOM 1213 O ASN B 4 2.052 -6.185 -14.038 1.00 0.00 O ATOM 1214 CB ASN B 4 1.522 -5.486 -16.947 1.00 0.00 C ATOM 1215 CG ASN B 4 1.672 -3.964 -16.990 1.00 0.00 C ATOM 1216 OD1 ASN B 4 2.754 -3.416 -16.871 1.00 0.00 O ATOM 1217 ND2 ASN B 4 0.525 -3.314 -17.166 1.00 0.00 N ATOM 0 H ASN B 4 2.800 -7.306 -18.050 1.00 0.00 H new ATOM 0 HA ASN B 4 3.494 -5.371 -16.089 1.00 0.00 H new ATOM 0 HB2 ASN B 4 1.380 -5.870 -17.957 1.00 0.00 H new ATOM 0 HB3 ASN B 4 0.632 -5.752 -16.377 1.00 0.00 H new ATOM 0 HD21 ASN B 4 0.518 -2.295 -17.208 1.00 0.00 H new ATOM 0 HD22 ASN B 4 -0.347 -3.835 -17.259 1.00 0.00 H new ATOM 1224 N THR B 5 2.221 -8.204 -15.113 1.00 0.00 N ATOM 1225 CA THR B 5 1.807 -9.008 -13.976 1.00 0.00 C ATOM 1226 C THR B 5 2.910 -8.989 -12.916 1.00 0.00 C ATOM 1227 O THR B 5 2.644 -8.533 -11.795 1.00 0.00 O ATOM 1228 CB THR B 5 1.464 -10.414 -14.471 1.00 0.00 C ATOM 1229 OG1 THR B 5 0.387 -10.208 -15.381 1.00 0.00 O ATOM 1230 CG2 THR B 5 0.860 -11.290 -13.372 1.00 0.00 C ATOM 0 H THR B 5 2.437 -8.744 -15.951 1.00 0.00 H new ATOM 0 HA THR B 5 0.912 -8.604 -13.503 1.00 0.00 H new ATOM 0 HB THR B 5 2.363 -10.890 -14.862 1.00 0.00 H new ATOM 0 HG1 THR B 5 0.102 -11.070 -15.751 1.00 0.00 H new ATOM 0 HG21 THR B 5 0.635 -12.277 -13.776 1.00 0.00 H new ATOM 0 HG22 THR B 5 1.572 -11.387 -12.552 1.00 0.00 H new ATOM 0 HG23 THR B 5 -0.057 -10.831 -13.004 1.00 0.00 H new ATOM 1238 N VAL B 6 4.109 -9.479 -13.286 1.00 0.00 N ATOM 1239 CA VAL B 6 5.238 -9.517 -12.373 1.00 0.00 C ATOM 1240 C VAL B 6 5.353 -8.173 -11.652 1.00 0.00 C ATOM 1241 O VAL B 6 5.574 -8.175 -10.432 1.00 0.00 O ATOM 1242 CB VAL B 6 6.511 -9.899 -13.133 1.00 0.00 C ATOM 1243 CG1 VAL B 6 6.602 -11.414 -13.324 1.00 0.00 C ATOM 1244 CG2 VAL B 6 6.586 -9.171 -14.476 1.00 0.00 C ATOM 0 H VAL B 6 4.308 -9.851 -14.215 1.00 0.00 H new ATOM 0 HA VAL B 6 5.087 -10.281 -11.611 1.00 0.00 H new ATOM 0 HB VAL B 6 7.366 -9.586 -12.534 1.00 0.00 H new ATOM 0 HG11 VAL B 6 7.515 -11.658 -13.867 1.00 0.00 H new ATOM 0 HG12 VAL B 6 6.617 -11.903 -12.350 1.00 0.00 H new ATOM 0 HG13 VAL B 6 5.739 -11.762 -13.892 1.00 0.00 H new ATOM 0 HG21 VAL B 6 7.499 -9.460 -14.996 1.00 0.00 H new ATOM 0 HG22 VAL B 6 5.722 -9.439 -15.084 1.00 0.00 H new ATOM 0 HG23 VAL B 6 6.590 -8.094 -14.306 1.00 0.00 H new ATOM 1254 N SER B 7 5.203 -7.071 -12.407 1.00 0.00 N ATOM 1255 CA SER B 7 5.289 -5.734 -11.842 1.00 0.00 C ATOM 1256 C SER B 7 4.376 -5.642 -10.618 1.00 0.00 C ATOM 1257 O SER B 7 4.887 -5.367 -9.522 1.00 0.00 O ATOM 1258 CB SER B 7 4.907 -4.666 -12.870 1.00 0.00 C ATOM 1259 OG SER B 7 5.060 -3.348 -12.353 1.00 0.00 O ATOM 0 H SER B 7 5.022 -7.091 -13.411 1.00 0.00 H new ATOM 0 HA SER B 7 6.322 -5.550 -11.546 1.00 0.00 H new ATOM 0 HB2 SER B 7 5.527 -4.781 -13.759 1.00 0.00 H new ATOM 0 HB3 SER B 7 3.873 -4.816 -13.181 1.00 0.00 H new ATOM 0 HG SER B 7 5.436 -2.766 -13.046 1.00 0.00 H new ATOM 1265 N SER B 8 3.068 -5.870 -10.824 1.00 0.00 N ATOM 1266 CA SER B 8 2.096 -5.813 -9.744 1.00 0.00 C ATOM 1267 C SER B 8 2.596 -6.660 -8.571 1.00 0.00 C ATOM 1268 O SER B 8 2.407 -6.242 -7.420 1.00 0.00 O ATOM 1269 CB SER B 8 0.720 -6.299 -10.202 1.00 0.00 C ATOM 1270 OG SER B 8 -0.240 -6.250 -9.151 1.00 0.00 O ATOM 0 H SER B 8 2.669 -6.095 -11.735 1.00 0.00 H new ATOM 0 HA SER B 8 1.987 -4.775 -9.429 1.00 0.00 H new ATOM 0 HB2 SER B 8 0.377 -5.685 -11.035 1.00 0.00 H new ATOM 0 HB3 SER B 8 0.801 -7.321 -10.572 1.00 0.00 H new ATOM 0 HG SER B 8 0.056 -5.613 -8.467 1.00 0.00 H new ATOM 1276 N PHE B 9 3.212 -7.814 -8.881 1.00 0.00 N ATOM 1277 CA PHE B 9 3.731 -8.709 -7.860 1.00 0.00 C ATOM 1278 C PHE B 9 4.751 -7.957 -7.001 1.00 0.00 C ATOM 1279 O PHE B 9 4.560 -7.895 -5.778 1.00 0.00 O ATOM 1280 CB PHE B 9 4.381 -9.931 -8.537 1.00 0.00 C ATOM 1281 CG PHE B 9 3.877 -11.277 -8.037 1.00 0.00 C ATOM 1282 CD1 PHE B 9 2.528 -11.654 -8.235 1.00 0.00 C ATOM 1283 CD2 PHE B 9 4.756 -12.157 -7.363 1.00 0.00 C ATOM 1284 CE1 PHE B 9 2.064 -12.901 -7.766 1.00 0.00 C ATOM 1285 CE2 PHE B 9 4.291 -13.404 -6.894 1.00 0.00 C ATOM 1286 CZ PHE B 9 2.944 -13.776 -7.096 1.00 0.00 C ATOM 0 H PHE B 9 3.358 -8.140 -9.837 1.00 0.00 H new ATOM 0 HA PHE B 9 2.922 -9.056 -7.217 1.00 0.00 H new ATOM 0 HB2 PHE B 9 4.207 -9.869 -9.611 1.00 0.00 H new ATOM 0 HB3 PHE B 9 5.459 -9.883 -8.385 1.00 0.00 H new ATOM 0 HD1 PHE B 9 1.851 -10.985 -8.747 1.00 0.00 H new ATOM 0 HD2 PHE B 9 5.786 -11.873 -7.207 1.00 0.00 H new ATOM 0 HE1 PHE B 9 1.034 -13.186 -7.920 1.00 0.00 H new ATOM 0 HE2 PHE B 9 4.965 -14.074 -6.381 1.00 0.00 H new ATOM 0 HZ PHE B 9 2.588 -14.730 -6.738 1.00 0.00 H new ATOM 1296 N GLN B 10 5.795 -7.410 -7.648 1.00 0.00 N ATOM 1297 CA GLN B 10 6.833 -6.671 -6.948 1.00 0.00 C ATOM 1298 C GLN B 10 6.183 -5.632 -6.031 1.00 0.00 C ATOM 1299 O GLN B 10 6.430 -5.681 -4.817 1.00 0.00 O ATOM 1300 CB GLN B 10 7.807 -6.007 -7.925 1.00 0.00 C ATOM 1301 CG GLN B 10 8.878 -6.996 -8.388 1.00 0.00 C ATOM 1302 CD GLN B 10 8.927 -7.077 -9.915 1.00 0.00 C ATOM 1303 OE1 GLN B 10 8.718 -6.103 -10.620 1.00 0.00 O ATOM 1304 NE2 GLN B 10 9.216 -8.286 -10.384 1.00 0.00 N ATOM 0 H GLN B 10 5.933 -7.472 -8.657 1.00 0.00 H new ATOM 0 HA GLN B 10 7.414 -7.370 -6.346 1.00 0.00 H new ATOM 0 HB2 GLN B 10 7.260 -5.627 -8.788 1.00 0.00 H new ATOM 0 HB3 GLN B 10 8.281 -5.150 -7.446 1.00 0.00 H new ATOM 0 HG2 GLN B 10 9.851 -6.689 -8.005 1.00 0.00 H new ATOM 0 HG3 GLN B 10 8.670 -7.983 -7.975 1.00 0.00 H new ATOM 0 HE21 GLN B 10 9.380 -9.058 -9.738 1.00 0.00 H new ATOM 0 HE22 GLN B 10 9.274 -8.442 -11.390 1.00 0.00 H new ATOM 1313 N VAL B 11 5.379 -4.729 -6.619 1.00 0.00 N ATOM 1314 CA VAL B 11 4.703 -3.690 -5.861 1.00 0.00 C ATOM 1315 C VAL B 11 4.027 -4.317 -4.639 1.00 0.00 C ATOM 1316 O VAL B 11 4.358 -3.918 -3.513 1.00 0.00 O ATOM 1317 CB VAL B 11 3.725 -2.936 -6.763 1.00 0.00 C ATOM 1318 CG1 VAL B 11 2.518 -2.436 -5.967 1.00 0.00 C ATOM 1319 CG2 VAL B 11 4.423 -1.781 -7.483 1.00 0.00 C ATOM 0 H VAL B 11 5.188 -4.707 -7.621 1.00 0.00 H new ATOM 0 HA VAL B 11 5.420 -2.955 -5.496 1.00 0.00 H new ATOM 0 HB VAL B 11 3.362 -3.632 -7.519 1.00 0.00 H new ATOM 0 HG11 VAL B 11 1.839 -1.903 -6.632 1.00 0.00 H new ATOM 0 HG12 VAL B 11 1.999 -3.285 -5.522 1.00 0.00 H new ATOM 0 HG13 VAL B 11 2.855 -1.763 -5.179 1.00 0.00 H new ATOM 0 HG21 VAL B 11 3.705 -1.261 -8.118 1.00 0.00 H new ATOM 0 HG22 VAL B 11 4.828 -1.085 -6.748 1.00 0.00 H new ATOM 0 HG23 VAL B 11 5.234 -2.172 -8.097 1.00 0.00 H new ATOM 1329 N ASP B 12 3.108 -5.269 -4.881 1.00 0.00 N ATOM 1330 CA ASP B 12 2.395 -5.941 -3.808 1.00 0.00 C ATOM 1331 C ASP B 12 3.365 -6.235 -2.662 1.00 0.00 C ATOM 1332 O ASP B 12 3.106 -5.779 -1.539 1.00 0.00 O ATOM 1333 CB ASP B 12 1.809 -7.272 -4.285 1.00 0.00 C ATOM 1334 CG ASP B 12 0.482 -7.665 -3.635 1.00 0.00 C ATOM 1335 OD1 ASP B 12 -0.027 -6.963 -2.748 1.00 0.00 O ATOM 1336 OD2 ASP B 12 -0.041 -8.757 -4.079 1.00 0.00 O ATOM 0 H ASP B 12 2.849 -5.583 -5.816 1.00 0.00 H new ATOM 0 HA ASP B 12 1.586 -5.288 -3.480 1.00 0.00 H new ATOM 0 HB2 ASP B 12 1.667 -7.223 -5.365 1.00 0.00 H new ATOM 0 HB3 ASP B 12 2.537 -8.061 -4.095 1.00 0.00 H new ATOM 1341 N CYS B 13 4.445 -6.979 -2.963 1.00 0.00 N ATOM 1342 CA CYS B 13 5.441 -7.329 -1.966 1.00 0.00 C ATOM 1343 C CYS B 13 5.821 -6.077 -1.171 1.00 0.00 C ATOM 1344 O CYS B 13 5.677 -6.094 0.060 1.00 0.00 O ATOM 1345 CB CYS B 13 6.662 -7.987 -2.611 1.00 0.00 C ATOM 1346 SG CYS B 13 6.938 -9.718 -2.130 1.00 0.00 S ATOM 0 H CYS B 13 4.639 -7.345 -3.895 1.00 0.00 H new ATOM 0 HA CYS B 13 5.020 -8.063 -1.279 1.00 0.00 H new ATOM 0 HB2 CYS B 13 6.553 -7.939 -3.694 1.00 0.00 H new ATOM 0 HB3 CYS B 13 7.548 -7.407 -2.353 1.00 0.00 H new ATOM 0 HG CYS B 13 8.208 -9.917 -1.934 1.00 0.00 H new ATOM 1352 N PHE B 14 6.293 -5.035 -1.879 1.00 0.00 N ATOM 1353 CA PHE B 14 6.689 -3.789 -1.244 1.00 0.00 C ATOM 1354 C PHE B 14 5.584 -3.335 -0.288 1.00 0.00 C ATOM 1355 O PHE B 14 5.900 -3.011 0.866 1.00 0.00 O ATOM 1356 CB PHE B 14 6.946 -2.726 -2.329 1.00 0.00 C ATOM 1357 CG PHE B 14 7.471 -1.396 -1.803 1.00 0.00 C ATOM 1358 CD1 PHE B 14 8.843 -1.251 -1.491 1.00 0.00 C ATOM 1359 CD2 PHE B 14 6.596 -0.299 -1.630 1.00 0.00 C ATOM 1360 CE1 PHE B 14 9.334 -0.019 -1.008 1.00 0.00 C ATOM 1361 CE2 PHE B 14 7.087 0.932 -1.148 1.00 0.00 C ATOM 1362 CZ PHE B 14 8.456 1.072 -0.836 1.00 0.00 C ATOM 0 H PHE B 14 6.405 -5.043 -2.893 1.00 0.00 H new ATOM 0 HA PHE B 14 7.606 -3.932 -0.672 1.00 0.00 H new ATOM 0 HB2 PHE B 14 7.662 -3.125 -3.048 1.00 0.00 H new ATOM 0 HB3 PHE B 14 6.017 -2.546 -2.870 1.00 0.00 H new ATOM 0 HD1 PHE B 14 9.516 -2.085 -1.623 1.00 0.00 H new ATOM 0 HD2 PHE B 14 5.548 -0.404 -1.868 1.00 0.00 H new ATOM 0 HE1 PHE B 14 10.382 0.089 -0.770 1.00 0.00 H new ATOM 0 HE2 PHE B 14 6.415 1.768 -1.018 1.00 0.00 H new ATOM 0 HZ PHE B 14 8.832 2.014 -0.466 1.00 0.00 H new ATOM 1372 N LEU B 15 4.332 -3.321 -0.779 1.00 0.00 N ATOM 1373 CA LEU B 15 3.194 -2.910 0.025 1.00 0.00 C ATOM 1374 C LEU B 15 3.193 -3.697 1.339 1.00 0.00 C ATOM 1375 O LEU B 15 2.911 -3.096 2.385 1.00 0.00 O ATOM 1376 CB LEU B 15 1.896 -3.045 -0.774 1.00 0.00 C ATOM 1377 CG LEU B 15 1.885 -2.381 -2.152 1.00 0.00 C ATOM 1378 CD1 LEU B 15 0.453 -2.170 -2.647 1.00 0.00 C ATOM 1379 CD2 LEU B 15 2.685 -1.077 -2.139 1.00 0.00 C ATOM 0 H LEU B 15 4.094 -3.593 -1.733 1.00 0.00 H new ATOM 0 HA LEU B 15 3.272 -1.854 0.285 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.680 -4.106 -0.902 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.083 -2.623 -0.183 1.00 0.00 H new ATOM 0 HG LEU B 15 2.374 -3.052 -2.858 1.00 0.00 H new ATOM 0 HD11 LEU B 15 0.473 -1.696 -3.629 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -0.053 -3.133 -2.719 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.084 -1.530 -1.947 1.00 0.00 H new ATOM 0 HD21 LEU B 15 2.661 -0.626 -3.131 1.00 0.00 H new ATOM 0 HD22 LEU B 15 2.247 -0.389 -1.416 1.00 0.00 H new ATOM 0 HD23 LEU B 15 3.718 -1.287 -1.861 1.00 0.00 H new ATOM 1391 N TRP B 16 3.501 -5.003 1.258 1.00 0.00 N ATOM 1392 CA TRP B 16 3.535 -5.859 2.431 1.00 0.00 C ATOM 1393 C TRP B 16 4.639 -5.381 3.375 1.00 0.00 C ATOM 1394 O TRP B 16 4.410 -5.373 4.594 1.00 0.00 O ATOM 1395 CB TRP B 16 3.699 -7.323 2.013 1.00 0.00 C ATOM 1396 CG TRP B 16 3.551 -8.319 3.166 1.00 0.00 C ATOM 1397 CD1 TRP B 16 2.442 -8.952 3.573 1.00 0.00 C ATOM 1398 CD2 TRP B 16 4.599 -8.773 4.048 1.00 0.00 C ATOM 1399 NE1 TRP B 16 2.697 -9.777 4.649 1.00 0.00 N ATOM 1400 CE2 TRP B 16 4.050 -9.665 4.948 1.00 0.00 C ATOM 1401 CE3 TRP B 16 5.965 -8.442 4.086 1.00 0.00 C ATOM 1402 CZ2 TRP B 16 4.795 -10.299 5.949 1.00 0.00 C ATOM 1403 CZ3 TRP B 16 6.695 -9.084 5.093 1.00 0.00 C ATOM 1404 CH2 TRP B 16 6.157 -9.984 6.005 1.00 0.00 C ATOM 0 H TRP B 16 3.729 -5.479 0.385 1.00 0.00 H new ATOM 0 HA TRP B 16 2.592 -5.796 2.973 1.00 0.00 H new ATOM 0 HB2 TRP B 16 2.959 -7.557 1.247 1.00 0.00 H new ATOM 0 HB3 TRP B 16 4.681 -7.453 1.558 1.00 0.00 H new ATOM 0 HD1 TRP B 16 1.471 -8.831 3.116 1.00 0.00 H new ATOM 0 HE1 TRP B 16 2.018 -10.362 5.136 1.00 0.00 H new ATOM 0 HE3 TRP B 16 6.415 -7.747 3.393 1.00 0.00 H new ATOM 0 HZ2 TRP B 16 4.343 -10.994 6.641 1.00 0.00 H new ATOM 0 HZ3 TRP B 16 7.750 -8.865 5.166 1.00 0.00 H new ATOM 0 HH2 TRP B 16 6.788 -10.439 6.754 1.00 0.00 H new ATOM 1415 N HIS B 17 5.795 -4.996 2.805 1.00 0.00 N ATOM 1416 CA HIS B 17 6.921 -4.521 3.591 1.00 0.00 C ATOM 1417 C HIS B 17 6.511 -3.257 4.348 1.00 0.00 C ATOM 1418 O HIS B 17 6.651 -3.235 5.580 1.00 0.00 O ATOM 1419 CB HIS B 17 8.153 -4.310 2.710 1.00 0.00 C ATOM 1420 CG HIS B 17 8.874 -5.587 2.348 1.00 0.00 C ATOM 1421 ND1 HIS B 17 8.496 -6.630 1.553 1.00 0.00 N flip ATOM 1422 CD2 HIS B 17 10.138 -5.896 2.822 1.00 0.00 C flip ATOM 1423 CE1 HIS B 17 9.476 -7.526 1.543 1.00 0.00 C flip ATOM 1424 NE2 HIS B 17 10.494 -7.073 2.329 1.00 0.00 N flip ATOM 0 H HIS B 17 5.963 -5.009 1.799 1.00 0.00 H new ATOM 0 HA HIS B 17 7.202 -5.275 4.327 1.00 0.00 H new ATOM 0 HB2 HIS B 17 7.850 -3.804 1.794 1.00 0.00 H new ATOM 0 HB3 HIS B 17 8.847 -3.647 3.226 1.00 0.00 H new ATOM 0 HD2 HIS B 17 10.733 -5.282 3.482 1.00 0.00 H new ATOM 0 HE1 HIS B 17 9.468 -8.460 1.001 1.00 0.00 H new ATOM 0 HE2 HIS B 17 11.375 -7.556 2.506 1.00 0.00 H new ATOM 1432 N VAL B 18 6.021 -2.244 3.610 1.00 0.00 N ATOM 1433 CA VAL B 18 5.595 -0.990 4.209 1.00 0.00 C ATOM 1434 C VAL B 18 4.514 -1.270 5.253 1.00 0.00 C ATOM 1435 O VAL B 18 4.482 -0.564 6.273 1.00 0.00 O ATOM 1436 CB VAL B 18 5.137 -0.020 3.119 1.00 0.00 C ATOM 1437 CG1 VAL B 18 6.320 0.449 2.269 1.00 0.00 C ATOM 1438 CG2 VAL B 18 4.051 -0.649 2.245 1.00 0.00 C ATOM 0 H VAL B 18 5.915 -2.281 2.596 1.00 0.00 H new ATOM 0 HA VAL B 18 6.427 -0.510 4.724 1.00 0.00 H new ATOM 0 HB VAL B 18 4.708 0.854 3.609 1.00 0.00 H new ATOM 0 HG11 VAL B 18 5.966 1.138 1.502 1.00 0.00 H new ATOM 0 HG12 VAL B 18 7.046 0.956 2.904 1.00 0.00 H new ATOM 0 HG13 VAL B 18 6.791 -0.412 1.795 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.744 0.062 1.478 1.00 0.00 H new ATOM 0 HG22 VAL B 18 4.442 -1.548 1.770 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.192 -0.910 2.863 1.00 0.00 H new ATOM 1448 N ARG B 19 3.663 -2.276 4.985 1.00 0.00 N ATOM 1449 CA ARG B 19 2.592 -2.643 5.896 1.00 0.00 C ATOM 1450 C ARG B 19 3.195 -3.213 7.182 1.00 0.00 C ATOM 1451 O ARG B 19 2.725 -2.842 8.268 1.00 0.00 O ATOM 1452 CB ARG B 19 1.655 -3.682 5.276 1.00 0.00 C ATOM 1453 CG ARG B 19 0.564 -3.007 4.442 1.00 0.00 C ATOM 1454 CD ARG B 19 -0.368 -4.045 3.815 1.00 0.00 C ATOM 1455 NE ARG B 19 -1.066 -3.460 2.648 1.00 0.00 N ATOM 1456 CZ ARG B 19 -2.367 -3.674 2.360 1.00 0.00 C ATOM 1457 NH1 ARG B 19 -3.091 -4.462 3.166 1.00 0.00 N ATOM 1458 NH2 ARG B 19 -2.927 -3.107 1.282 1.00 0.00 N ATOM 0 H ARG B 19 3.706 -2.844 4.139 1.00 0.00 H new ATOM 0 HA ARG B 19 2.010 -1.747 6.111 1.00 0.00 H new ATOM 0 HB2 ARG B 19 2.228 -4.365 4.648 1.00 0.00 H new ATOM 0 HB3 ARG B 19 1.198 -4.281 6.064 1.00 0.00 H new ATOM 0 HG2 ARG B 19 -0.012 -2.329 5.071 1.00 0.00 H new ATOM 0 HG3 ARG B 19 1.022 -2.403 3.658 1.00 0.00 H new ATOM 0 HD2 ARG B 19 0.204 -4.920 3.506 1.00 0.00 H new ATOM 0 HD3 ARG B 19 -1.096 -4.384 4.552 1.00 0.00 H new ATOM 0 HE ARG B 19 -0.530 -2.858 2.023 1.00 0.00 H new ATOM 0 HH11 ARG B 19 -2.658 -4.891 3.984 1.00 0.00 H new ATOM 0 HH12 ARG B 19 -4.076 -4.633 2.962 1.00 0.00 H new ATOM 0 HH21 ARG B 19 -2.369 -2.509 0.673 1.00 0.00 H new ATOM 0 HH22 ARG B 19 -3.911 -3.274 1.071 1.00 0.00 H new ATOM 1472 N LYS B 20 4.205 -4.088 7.037 1.00 0.00 N ATOM 1473 CA LYS B 20 4.862 -4.702 8.179 1.00 0.00 C ATOM 1474 C LYS B 20 5.456 -3.608 9.068 1.00 0.00 C ATOM 1475 O LYS B 20 5.381 -3.743 10.298 1.00 0.00 O ATOM 1476 CB LYS B 20 5.885 -5.740 7.714 1.00 0.00 C ATOM 1477 CG LYS B 20 7.199 -5.596 8.483 1.00 0.00 C ATOM 1478 CD LYS B 20 7.051 -6.102 9.920 1.00 0.00 C ATOM 1479 CE LYS B 20 8.051 -5.411 10.850 1.00 0.00 C ATOM 1480 NZ LYS B 20 9.314 -6.166 10.902 1.00 0.00 N ATOM 0 H LYS B 20 4.577 -4.380 6.133 1.00 0.00 H new ATOM 0 HA LYS B 20 4.140 -5.249 8.785 1.00 0.00 H new ATOM 0 HB2 LYS B 20 5.483 -6.743 7.859 1.00 0.00 H new ATOM 0 HB3 LYS B 20 6.069 -5.621 6.646 1.00 0.00 H new ATOM 0 HG2 LYS B 20 7.985 -6.156 7.976 1.00 0.00 H new ATOM 0 HG3 LYS B 20 7.507 -4.550 8.492 1.00 0.00 H new ATOM 0 HD2 LYS B 20 6.036 -5.919 10.271 1.00 0.00 H new ATOM 0 HD3 LYS B 20 7.208 -7.180 9.948 1.00 0.00 H new ATOM 0 HE2 LYS B 20 8.241 -4.396 10.500 1.00 0.00 H new ATOM 0 HE3 LYS B 20 7.628 -5.329 11.851 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 9.981 -5.683 11.537 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 9.130 -7.126 11.257 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 9.724 -6.223 9.948 1.00 0.00 H new ATOM 1494 N GLN B 21 6.025 -2.564 8.440 1.00 0.00 N ATOM 1495 CA GLN B 21 6.624 -1.460 9.170 1.00 0.00 C ATOM 1496 C GLN B 21 5.523 -0.650 9.856 1.00 0.00 C ATOM 1497 O GLN B 21 5.768 -0.133 10.956 1.00 0.00 O ATOM 1498 CB GLN B 21 7.467 -0.571 8.252 1.00 0.00 C ATOM 1499 CG GLN B 21 8.960 -0.753 8.534 1.00 0.00 C ATOM 1500 CD GLN B 21 9.533 -1.918 7.724 1.00 0.00 C ATOM 1501 OE1 GLN B 21 8.618 -2.784 7.300 1.00 0.00 O flip ATOM 1502 NE2 GLN B 21 10.728 -2.022 7.498 1.00 0.00 N flip ATOM 0 H GLN B 21 6.077 -2.472 7.425 1.00 0.00 H new ATOM 0 HA GLN B 21 7.297 -1.865 9.926 1.00 0.00 H new ATOM 0 HB2 GLN B 21 7.257 -0.815 7.211 1.00 0.00 H new ATOM 0 HB3 GLN B 21 7.190 0.473 8.397 1.00 0.00 H new ATOM 0 HG2 GLN B 21 9.495 0.164 8.287 1.00 0.00 H new ATOM 0 HG3 GLN B 21 9.113 -0.935 9.598 1.00 0.00 H new ATOM 0 HE21 GLN B 21 11.377 -1.320 7.854 1.00 0.00 H new ATOM 0 HE22 GLN B 21 11.077 -2.810 6.953 1.00 0.00 H new ATOM 1511 N VAL B 22 4.349 -0.556 9.206 1.00 0.00 N ATOM 1512 CA VAL B 22 3.223 0.184 9.750 1.00 0.00 C ATOM 1513 C VAL B 22 2.799 -0.446 11.078 1.00 0.00 C ATOM 1514 O VAL B 22 2.824 0.257 12.099 1.00 0.00 O ATOM 1515 CB VAL B 22 2.089 0.239 8.724 1.00 0.00 C ATOM 1516 CG1 VAL B 22 0.736 0.426 9.414 1.00 0.00 C ATOM 1517 CG2 VAL B 22 2.335 1.342 7.692 1.00 0.00 C ATOM 0 H VAL B 22 4.167 -0.989 8.301 1.00 0.00 H new ATOM 0 HA VAL B 22 3.507 1.216 9.956 1.00 0.00 H new ATOM 0 HB VAL B 22 2.068 -0.714 8.196 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -0.053 0.462 8.663 1.00 0.00 H new ATOM 0 HG12 VAL B 22 0.555 -0.408 10.092 1.00 0.00 H new ATOM 0 HG13 VAL B 22 0.742 1.358 9.979 1.00 0.00 H new ATOM 0 HG21 VAL B 22 1.514 1.359 6.975 1.00 0.00 H new ATOM 0 HG22 VAL B 22 2.396 2.306 8.197 1.00 0.00 H new ATOM 0 HG23 VAL B 22 3.271 1.148 7.168 1.00 0.00 H new ATOM 1527 N VAL B 23 2.424 -1.737 11.040 1.00 0.00 N ATOM 1528 CA VAL B 23 1.999 -2.451 12.231 1.00 0.00 C ATOM 1529 C VAL B 23 3.153 -2.492 13.235 1.00 0.00 C ATOM 1530 O VAL B 23 2.887 -2.426 14.443 1.00 0.00 O ATOM 1531 CB VAL B 23 1.485 -3.842 11.854 1.00 0.00 C ATOM 1532 CG1 VAL B 23 0.758 -4.496 13.029 1.00 0.00 C ATOM 1533 CG2 VAL B 23 0.584 -3.777 10.619 1.00 0.00 C ATOM 0 H VAL B 23 2.411 -2.298 10.188 1.00 0.00 H new ATOM 0 HA VAL B 23 1.169 -1.932 12.710 1.00 0.00 H new ATOM 0 HB VAL B 23 2.347 -4.462 11.608 1.00 0.00 H new ATOM 0 HG11 VAL B 23 0.403 -5.483 12.733 1.00 0.00 H new ATOM 0 HG12 VAL B 23 1.443 -4.594 13.872 1.00 0.00 H new ATOM 0 HG13 VAL B 23 -0.091 -3.878 13.321 1.00 0.00 H new ATOM 0 HG21 VAL B 23 0.232 -4.779 10.372 1.00 0.00 H new ATOM 0 HG22 VAL B 23 -0.271 -3.133 10.826 1.00 0.00 H new ATOM 0 HG23 VAL B 23 1.148 -3.373 9.778 1.00 0.00 H new ATOM 1543 N ASP B 24 4.392 -2.600 12.723 1.00 0.00 N ATOM 1544 CA ASP B 24 5.574 -2.650 13.568 1.00 0.00 C ATOM 1545 C ASP B 24 5.607 -1.409 14.464 1.00 0.00 C ATOM 1546 O ASP B 24 6.197 -1.483 15.552 1.00 0.00 O ATOM 1547 CB ASP B 24 6.852 -2.660 12.728 1.00 0.00 C ATOM 1548 CG ASP B 24 8.153 -2.709 13.532 1.00 0.00 C ATOM 1549 OD1 ASP B 24 8.623 -1.560 13.879 1.00 0.00 O ATOM 1550 OD2 ASP B 24 8.690 -3.792 13.811 1.00 0.00 O ATOM 0 H ASP B 24 4.589 -2.654 11.724 1.00 0.00 H new ATOM 0 HA ASP B 24 5.526 -3.563 14.162 1.00 0.00 H new ATOM 0 HB2 ASP B 24 6.823 -3.520 12.059 1.00 0.00 H new ATOM 0 HB3 ASP B 24 6.864 -1.769 12.100 1.00 0.00 H new ATOM 1555 N GLN B 25 4.983 -0.313 13.998 1.00 0.00 N ATOM 1556 CA GLN B 25 4.942 0.929 14.751 1.00 0.00 C ATOM 1557 C GLN B 25 3.571 1.072 15.415 1.00 0.00 C ATOM 1558 O GLN B 25 3.183 2.208 15.728 1.00 0.00 O ATOM 1559 CB GLN B 25 5.250 2.135 13.862 1.00 0.00 C ATOM 1560 CG GLN B 25 6.590 1.960 13.145 1.00 0.00 C ATOM 1561 CD GLN B 25 7.471 3.200 13.318 1.00 0.00 C ATOM 1562 OE1 GLN B 25 6.997 4.310 13.493 1.00 0.00 O ATOM 1563 NE2 GLN B 25 8.775 2.949 13.258 1.00 0.00 N ATOM 0 H GLN B 25 4.502 -0.274 13.099 1.00 0.00 H new ATOM 0 HA GLN B 25 5.713 0.898 15.521 1.00 0.00 H new ATOM 0 HB2 GLN B 25 4.455 2.262 13.128 1.00 0.00 H new ATOM 0 HB3 GLN B 25 5.273 3.041 14.467 1.00 0.00 H new ATOM 0 HG2 GLN B 25 7.106 1.085 13.540 1.00 0.00 H new ATOM 0 HG3 GLN B 25 6.418 1.777 12.084 1.00 0.00 H new ATOM 0 HE21 GLN B 25 9.104 1.995 13.109 1.00 0.00 H new ATOM 0 HE22 GLN B 25 9.446 3.710 13.361 1.00 0.00 H new ATOM 1572 N GLU B 26 2.875 -0.062 15.612 1.00 0.00 N ATOM 1573 CA GLU B 26 1.561 -0.061 16.231 1.00 0.00 C ATOM 1574 C GLU B 26 0.858 1.262 15.926 1.00 0.00 C ATOM 1575 O GLU B 26 0.328 1.879 16.862 1.00 0.00 O ATOM 1576 CB GLU B 26 1.652 -0.299 17.740 1.00 0.00 C ATOM 1577 CG GLU B 26 2.233 0.923 18.454 1.00 0.00 C ATOM 1578 CD GLU B 26 3.098 0.503 19.643 1.00 0.00 C ATOM 1579 OE1 GLU B 26 2.639 -0.488 20.328 1.00 0.00 O ATOM 1580 OE2 GLU B 26 4.154 1.106 19.885 1.00 0.00 O ATOM 0 H GLU B 26 3.212 -0.987 15.346 1.00 0.00 H new ATOM 0 HA GLU B 26 0.977 -0.882 15.814 1.00 0.00 H new ATOM 0 HB2 GLU B 26 0.661 -0.520 18.137 1.00 0.00 H new ATOM 0 HB3 GLU B 26 2.276 -1.171 17.937 1.00 0.00 H new ATOM 0 HG2 GLU B 26 2.830 1.508 17.754 1.00 0.00 H new ATOM 0 HG3 GLU B 26 1.423 1.567 18.798 1.00 0.00 H new ATOM 1587 N LEU B 27 0.867 1.668 14.643 1.00 0.00 N ATOM 1588 CA LEU B 27 0.236 2.907 14.223 1.00 0.00 C ATOM 1589 C LEU B 27 -1.164 2.603 13.683 1.00 0.00 C ATOM 1590 O LEU B 27 -1.979 3.532 13.604 1.00 0.00 O ATOM 1591 CB LEU B 27 1.128 3.653 13.228 1.00 0.00 C ATOM 1592 CG LEU B 27 1.051 3.184 11.774 1.00 0.00 C ATOM 1593 CD1 LEU B 27 0.077 4.047 10.970 1.00 0.00 C ATOM 1594 CD2 LEU B 27 2.441 3.145 11.137 1.00 0.00 C ATOM 0 H LEU B 27 1.309 1.146 13.886 1.00 0.00 H new ATOM 0 HA LEU B 27 0.114 3.579 15.073 1.00 0.00 H new ATOM 0 HB2 LEU B 27 0.869 4.711 13.262 1.00 0.00 H new ATOM 0 HB3 LEU B 27 2.162 3.567 13.562 1.00 0.00 H new ATOM 0 HG LEU B 27 0.663 2.166 11.764 1.00 0.00 H new ATOM 0 HD11 LEU B 27 0.041 3.692 9.940 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -0.917 3.981 11.411 1.00 0.00 H new ATOM 0 HD13 LEU B 27 0.412 5.084 10.985 1.00 0.00 H new ATOM 0 HD21 LEU B 27 2.358 2.808 10.104 1.00 0.00 H new ATOM 0 HD22 LEU B 27 2.880 4.143 11.160 1.00 0.00 H new ATOM 0 HD23 LEU B 27 3.077 2.456 11.693 1.00 0.00 H new ATOM 1606 N GLY B 28 -1.409 1.329 13.330 1.00 0.00 N ATOM 1607 CA GLY B 28 -2.697 0.909 12.804 1.00 0.00 C ATOM 1608 C GLY B 28 -3.764 1.076 13.888 1.00 0.00 C ATOM 1609 O GLY B 28 -3.589 1.941 14.759 1.00 0.00 O ATOM 0 H GLY B 28 -0.722 0.578 13.404 1.00 0.00 H new ATOM 0 HA2 GLY B 28 -2.956 1.503 11.928 1.00 0.00 H new ATOM 0 HA3 GLY B 28 -2.649 -0.131 12.481 1.00 0.00 H new ATOM 1613 N ASP B 29 -4.831 0.261 13.814 1.00 0.00 N ATOM 1614 CA ASP B 29 -5.913 0.319 14.782 1.00 0.00 C ATOM 1615 C ASP B 29 -6.439 -1.095 15.039 1.00 0.00 C ATOM 1616 O ASP B 29 -6.853 -1.374 16.173 1.00 0.00 O ATOM 1617 CB ASP B 29 -7.074 1.168 14.261 1.00 0.00 C ATOM 1618 CG ASP B 29 -8.316 1.183 15.153 1.00 0.00 C ATOM 1619 OD1 ASP B 29 -8.282 1.690 16.285 1.00 0.00 O ATOM 1620 OD2 ASP B 29 -9.366 0.639 14.637 1.00 0.00 O ATOM 0 H ASP B 29 -4.957 -0.444 13.087 1.00 0.00 H new ATOM 0 HA ASP B 29 -5.523 0.765 15.697 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -6.726 2.193 14.132 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -7.358 0.801 13.275 1.00 0.00 H new ATOM 1625 N ALA B 30 -6.413 -1.945 13.996 1.00 0.00 N ATOM 1626 CA ALA B 30 -6.884 -3.315 14.107 1.00 0.00 C ATOM 1627 C ALA B 30 -6.982 -3.931 12.711 1.00 0.00 C ATOM 1628 O ALA B 30 -6.647 -5.117 12.565 1.00 0.00 O ATOM 1629 CB ALA B 30 -8.302 -3.327 14.682 1.00 0.00 C ATOM 0 H ALA B 30 -6.068 -1.695 13.069 1.00 0.00 H new ATOM 0 HA ALA B 30 -6.193 -3.867 14.744 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -8.653 -4.356 14.764 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -8.298 -2.865 15.669 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -8.967 -2.769 14.023 1.00 0.00 H new ATOM 1635 N PRO B 31 -7.430 -3.130 11.728 1.00 0.00 N ATOM 1636 CA PRO B 31 -7.582 -3.559 10.349 1.00 0.00 C ATOM 1637 C PRO B 31 -6.223 -3.660 9.654 1.00 0.00 C ATOM 1638 O PRO B 31 -6.146 -4.309 8.601 1.00 0.00 O ATOM 1639 CB PRO B 31 -8.500 -2.527 9.714 1.00 0.00 C ATOM 1640 CG PRO B 31 -8.453 -1.311 10.626 1.00 0.00 C ATOM 1641 CD PRO B 31 -7.817 -1.737 11.939 1.00 0.00 C ATOM 0 HA PRO B 31 -8.010 -4.558 10.264 1.00 0.00 H new ATOM 0 HB2 PRO B 31 -8.166 -2.274 8.708 1.00 0.00 H new ATOM 0 HB3 PRO B 31 -9.517 -2.910 9.626 1.00 0.00 H new ATOM 0 HG2 PRO B 31 -7.876 -0.510 10.164 1.00 0.00 H new ATOM 0 HG3 PRO B 31 -9.457 -0.923 10.797 1.00 0.00 H new ATOM 0 HD2 PRO B 31 -6.953 -1.118 12.180 1.00 0.00 H new ATOM 0 HD3 PRO B 31 -8.518 -1.642 12.768 1.00 0.00 H new ATOM 1649 N PHE B 32 -5.195 -3.025 10.246 1.00 0.00 N ATOM 1650 CA PHE B 32 -3.854 -3.043 9.687 1.00 0.00 C ATOM 1651 C PHE B 32 -3.211 -4.404 9.959 1.00 0.00 C ATOM 1652 O PHE B 32 -2.559 -4.942 9.052 1.00 0.00 O ATOM 1653 CB PHE B 32 -3.025 -1.910 10.321 1.00 0.00 C ATOM 1654 CG PHE B 32 -3.015 -0.609 9.527 1.00 0.00 C ATOM 1655 CD1 PHE B 32 -3.892 -0.435 8.431 1.00 0.00 C ATOM 1656 CD2 PHE B 32 -2.123 0.430 9.880 1.00 0.00 C ATOM 1657 CE1 PHE B 32 -3.877 0.770 7.696 1.00 0.00 C ATOM 1658 CE2 PHE B 32 -2.110 1.633 9.145 1.00 0.00 C ATOM 1659 CZ PHE B 32 -2.986 1.803 8.052 1.00 0.00 C ATOM 0 H PHE B 32 -5.280 -2.495 11.113 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.893 -2.886 8.609 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -3.414 -1.708 11.319 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -1.998 -2.254 10.443 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -4.574 -1.226 8.156 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -1.450 0.302 10.715 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -4.549 0.901 6.860 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.429 2.425 9.419 1.00 0.00 H new ATOM 0 HZ PHE B 32 -2.974 2.724 7.488 1.00 0.00 H new ATOM 1669 N LEU B 33 -3.404 -4.926 11.184 1.00 0.00 N ATOM 1670 CA LEU B 33 -2.846 -6.212 11.570 1.00 0.00 C ATOM 1671 C LEU B 33 -3.662 -7.332 10.920 1.00 0.00 C ATOM 1672 O LEU B 33 -3.054 -8.279 10.400 1.00 0.00 O ATOM 1673 CB LEU B 33 -2.755 -6.322 13.092 1.00 0.00 C ATOM 1674 CG LEU B 33 -2.206 -7.642 13.638 1.00 0.00 C ATOM 1675 CD1 LEU B 33 -1.000 -8.112 12.823 1.00 0.00 C ATOM 1676 CD2 LEU B 33 -1.880 -7.525 15.128 1.00 0.00 C ATOM 0 H LEU B 33 -3.945 -4.467 11.917 1.00 0.00 H new ATOM 0 HA LEU B 33 -1.823 -6.308 11.206 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -2.126 -5.511 13.458 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -3.750 -6.166 13.508 1.00 0.00 H new ATOM 0 HG LEU B 33 -2.980 -8.403 13.536 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -0.629 -9.052 13.231 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -1.298 -8.260 11.785 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -0.213 -7.360 12.871 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -1.492 -8.476 15.491 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -1.131 -6.747 15.277 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -2.785 -7.268 15.679 1.00 0.00 H new ATOM 1688 N ASP B 34 -5.000 -7.204 10.962 1.00 0.00 N ATOM 1689 CA ASP B 34 -5.888 -8.198 10.382 1.00 0.00 C ATOM 1690 C ASP B 34 -5.618 -8.301 8.879 1.00 0.00 C ATOM 1691 O ASP B 34 -5.357 -9.415 8.402 1.00 0.00 O ATOM 1692 CB ASP B 34 -7.353 -7.806 10.574 1.00 0.00 C ATOM 1693 CG ASP B 34 -7.847 -7.835 12.022 1.00 0.00 C ATOM 1694 OD1 ASP B 34 -6.917 -7.878 12.914 1.00 0.00 O ATOM 1695 OD2 ASP B 34 -9.059 -7.816 12.284 1.00 0.00 O ATOM 0 H ASP B 34 -5.481 -6.416 11.395 1.00 0.00 H new ATOM 0 HA ASP B 34 -5.702 -9.149 10.880 1.00 0.00 H new ATOM 0 HB2 ASP B 34 -7.500 -6.802 10.176 1.00 0.00 H new ATOM 0 HB3 ASP B 34 -7.974 -8.478 9.981 1.00 0.00 H new ATOM 1700 N ARG B 35 -5.685 -7.157 8.176 1.00 0.00 N ATOM 1701 CA ARG B 35 -5.450 -7.119 6.742 1.00 0.00 C ATOM 1702 C ARG B 35 -4.047 -7.652 6.446 1.00 0.00 C ATOM 1703 O ARG B 35 -3.915 -8.500 5.551 1.00 0.00 O ATOM 1704 CB ARG B 35 -5.578 -5.700 6.187 1.00 0.00 C ATOM 1705 CG ARG B 35 -7.034 -5.230 6.210 1.00 0.00 C ATOM 1706 CD ARG B 35 -7.128 -3.723 5.964 1.00 0.00 C ATOM 1707 NE ARG B 35 -5.948 -3.260 5.200 1.00 0.00 N ATOM 1708 CZ ARG B 35 -6.015 -2.655 3.995 1.00 0.00 C ATOM 1709 NH1 ARG B 35 -7.216 -2.452 3.436 1.00 0.00 N ATOM 1710 NH2 ARG B 35 -4.897 -2.266 3.368 1.00 0.00 N ATOM 0 H ARG B 35 -5.901 -6.250 8.589 1.00 0.00 H new ATOM 0 HA ARG B 35 -6.204 -7.740 6.259 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -4.963 -5.019 6.776 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -5.199 -5.670 5.166 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -7.604 -5.763 5.449 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -7.483 -5.474 7.173 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -8.041 -3.492 5.415 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -7.186 -3.194 6.915 1.00 0.00 H new ATOM 0 HE ARG B 35 -5.026 -3.407 5.610 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -8.062 -2.753 3.921 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -7.285 -1.996 2.526 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -3.987 -2.426 3.801 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -4.955 -1.809 2.458 1.00 0.00 H new ATOM 1724 N LEU B 36 -3.044 -7.152 7.190 1.00 0.00 N ATOM 1725 CA LEU B 36 -1.666 -7.575 7.007 1.00 0.00 C ATOM 1726 C LEU B 36 -1.573 -9.091 7.191 1.00 0.00 C ATOM 1727 O LEU B 36 -0.837 -9.733 6.428 1.00 0.00 O ATOM 1728 CB LEU B 36 -0.737 -6.785 7.932 1.00 0.00 C ATOM 1729 CG LEU B 36 0.694 -7.312 8.054 1.00 0.00 C ATOM 1730 CD1 LEU B 36 1.415 -7.259 6.705 1.00 0.00 C ATOM 1731 CD2 LEU B 36 1.464 -6.564 9.144 1.00 0.00 C ATOM 0 H LEU B 36 -3.174 -6.454 7.922 1.00 0.00 H new ATOM 0 HA LEU B 36 -1.331 -7.356 5.993 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -0.695 -5.755 7.578 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -1.181 -6.762 8.927 1.00 0.00 H new ATOM 0 HG LEU B 36 0.647 -8.359 8.354 1.00 0.00 H new ATOM 0 HD11 LEU B 36 2.430 -7.639 6.820 1.00 0.00 H new ATOM 0 HD12 LEU B 36 0.878 -7.872 5.981 1.00 0.00 H new ATOM 0 HD13 LEU B 36 1.451 -6.228 6.352 1.00 0.00 H new ATOM 0 HD21 LEU B 36 2.478 -6.959 9.209 1.00 0.00 H new ATOM 0 HD22 LEU B 36 1.503 -5.503 8.899 1.00 0.00 H new ATOM 0 HD23 LEU B 36 0.961 -6.697 10.102 1.00 0.00 H new ATOM 1743 N ARG B 37 -2.310 -9.624 8.182 1.00 0.00 N ATOM 1744 CA ARG B 37 -2.311 -11.050 8.460 1.00 0.00 C ATOM 1745 C ARG B 37 -2.779 -11.808 7.216 1.00 0.00 C ATOM 1746 O ARG B 37 -2.041 -12.687 6.748 1.00 0.00 O ATOM 1747 CB ARG B 37 -3.228 -11.395 9.635 1.00 0.00 C ATOM 1748 CG ARG B 37 -2.422 -11.910 10.828 1.00 0.00 C ATOM 1749 CD ARG B 37 -3.156 -11.640 12.143 1.00 0.00 C ATOM 1750 NE ARG B 37 -4.204 -12.663 12.356 1.00 0.00 N ATOM 1751 CZ ARG B 37 -5.403 -12.410 12.921 1.00 0.00 C ATOM 1752 NH1 ARG B 37 -5.684 -11.163 13.321 1.00 0.00 N ATOM 1753 NH2 ARG B 37 -6.301 -13.393 13.079 1.00 0.00 N ATOM 0 H ARG B 37 -2.910 -9.077 8.799 1.00 0.00 H new ATOM 0 HA ARG B 37 -1.295 -11.343 8.725 1.00 0.00 H new ATOM 0 HB2 ARG B 37 -3.795 -10.512 9.929 1.00 0.00 H new ATOM 0 HB3 ARG B 37 -3.951 -12.150 9.327 1.00 0.00 H new ATOM 0 HG2 ARG B 37 -2.247 -12.980 10.718 1.00 0.00 H new ATOM 0 HG3 ARG B 37 -1.445 -11.427 10.847 1.00 0.00 H new ATOM 0 HD2 ARG B 37 -2.449 -11.653 12.973 1.00 0.00 H new ATOM 0 HD3 ARG B 37 -3.605 -10.647 12.122 1.00 0.00 H new ATOM 0 HE ARG B 37 -4.008 -13.618 12.057 1.00 0.00 H new ATOM 0 HH11 ARG B 37 -4.996 -10.420 13.197 1.00 0.00 H new ATOM 0 HH12 ARG B 37 -6.586 -10.956 13.750 1.00 0.00 H new ATOM 0 HH21 ARG B 37 -6.080 -14.340 12.771 1.00 0.00 H new ATOM 0 HH22 ARG B 37 -7.205 -13.194 13.507 1.00 0.00 H new ATOM 1767 N ARG B 38 -3.976 -11.456 6.713 1.00 0.00 N ATOM 1768 CA ARG B 38 -4.534 -12.099 5.535 1.00 0.00 C ATOM 1769 C ARG B 38 -3.626 -11.830 4.333 1.00 0.00 C ATOM 1770 O ARG B 38 -3.596 -12.664 3.418 1.00 0.00 O ATOM 1771 CB ARG B 38 -5.942 -11.585 5.226 1.00 0.00 C ATOM 1772 CG ARG B 38 -6.842 -11.677 6.461 1.00 0.00 C ATOM 1773 CD ARG B 38 -8.298 -11.927 6.061 1.00 0.00 C ATOM 1774 NE ARG B 38 -8.706 -13.292 6.463 1.00 0.00 N ATOM 1775 CZ ARG B 38 -9.984 -13.662 6.693 1.00 0.00 C ATOM 1776 NH1 ARG B 38 -10.959 -12.754 6.556 1.00 0.00 N ATOM 1777 NH2 ARG B 38 -10.272 -14.920 7.055 1.00 0.00 N ATOM 0 H ARG B 38 -4.567 -10.727 7.113 1.00 0.00 H new ATOM 0 HA ARG B 38 -4.598 -13.169 5.733 1.00 0.00 H new ATOM 0 HB2 ARG B 38 -5.889 -10.551 4.886 1.00 0.00 H new ATOM 0 HB3 ARG B 38 -6.375 -12.166 4.412 1.00 0.00 H new ATOM 0 HG2 ARG B 38 -6.496 -12.482 7.109 1.00 0.00 H new ATOM 0 HG3 ARG B 38 -6.772 -10.753 7.036 1.00 0.00 H new ATOM 0 HD2 ARG B 38 -8.946 -11.190 6.536 1.00 0.00 H new ATOM 0 HD3 ARG B 38 -8.414 -11.806 4.984 1.00 0.00 H new ATOM 0 HE ARG B 38 -7.977 -13.997 6.573 1.00 0.00 H new ATOM 0 HH11 ARG B 38 -10.731 -11.798 6.281 1.00 0.00 H new ATOM 0 HH12 ARG B 38 -11.929 -13.018 6.726 1.00 0.00 H new ATOM 0 HH21 ARG B 38 -9.523 -15.605 7.158 1.00 0.00 H new ATOM 0 HH22 ARG B 38 -11.240 -15.192 7.227 1.00 0.00 H new ATOM 1791 N ASP B 39 -2.916 -10.687 4.360 1.00 0.00 N ATOM 1792 CA ASP B 39 -2.017 -10.314 3.281 1.00 0.00 C ATOM 1793 C ASP B 39 -0.785 -11.220 3.314 1.00 0.00 C ATOM 1794 O ASP B 39 -0.237 -11.510 2.240 1.00 0.00 O ATOM 1795 CB ASP B 39 -1.545 -8.867 3.432 1.00 0.00 C ATOM 1796 CG ASP B 39 -1.124 -8.184 2.130 1.00 0.00 C ATOM 1797 OD1 ASP B 39 -1.733 -8.396 1.071 1.00 0.00 O ATOM 1798 OD2 ASP B 39 -0.108 -7.395 2.232 1.00 0.00 O ATOM 0 H ASP B 39 -2.956 -10.013 5.124 1.00 0.00 H new ATOM 0 HA ASP B 39 -2.557 -10.420 2.340 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -2.347 -8.285 3.887 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -0.703 -8.846 4.124 1.00 0.00 H new ATOM 1803 N GLN B 40 -0.380 -11.642 4.525 1.00 0.00 N ATOM 1804 CA GLN B 40 0.777 -12.505 4.693 1.00 0.00 C ATOM 1805 C GLN B 40 0.519 -13.839 3.988 1.00 0.00 C ATOM 1806 O GLN B 40 1.252 -14.155 3.039 1.00 0.00 O ATOM 1807 CB GLN B 40 1.108 -12.722 6.171 1.00 0.00 C ATOM 1808 CG GLN B 40 2.165 -13.814 6.342 1.00 0.00 C ATOM 1809 CD GLN B 40 3.572 -13.252 6.137 1.00 0.00 C ATOM 1810 OE1 GLN B 40 3.800 -12.797 4.909 1.00 0.00 O flip ATOM 1811 NE2 GLN B 40 4.398 -13.233 7.035 1.00 0.00 N flip ATOM 0 H GLN B 40 -0.846 -11.392 5.397 1.00 0.00 H new ATOM 0 HA GLN B 40 1.643 -12.020 4.242 1.00 0.00 H new ATOM 0 HB2 GLN B 40 1.469 -11.790 6.607 1.00 0.00 H new ATOM 0 HB3 GLN B 40 0.204 -12.998 6.713 1.00 0.00 H new ATOM 0 HG2 GLN B 40 2.085 -14.250 7.338 1.00 0.00 H new ATOM 0 HG3 GLN B 40 1.983 -14.617 5.628 1.00 0.00 H new ATOM 0 HE21 GLN B 40 4.158 -13.599 7.956 1.00 0.00 H new ATOM 0 HE22 GLN B 40 5.328 -12.851 6.864 1.00 0.00 H new ATOM 1820 N LYS B 41 -0.501 -14.580 4.457 1.00 0.00 N ATOM 1821 CA LYS B 41 -0.849 -15.865 3.874 1.00 0.00 C ATOM 1822 C LYS B 41 -1.061 -15.698 2.369 1.00 0.00 C ATOM 1823 O LYS B 41 -0.653 -16.592 1.614 1.00 0.00 O ATOM 1824 CB LYS B 41 -2.050 -16.474 4.602 1.00 0.00 C ATOM 1825 CG LYS B 41 -1.784 -17.935 4.971 1.00 0.00 C ATOM 1826 CD LYS B 41 -2.898 -18.844 4.447 1.00 0.00 C ATOM 1827 CE LYS B 41 -2.804 -19.010 2.930 1.00 0.00 C ATOM 1828 NZ LYS B 41 -3.041 -20.412 2.549 1.00 0.00 N ATOM 0 H LYS B 41 -1.093 -14.301 5.240 1.00 0.00 H new ATOM 0 HA LYS B 41 -0.033 -16.576 4.002 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -2.262 -15.900 5.504 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -2.935 -16.410 3.968 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -0.827 -18.250 4.556 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -1.709 -18.033 6.054 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -2.832 -19.820 4.928 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -3.869 -18.424 4.711 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -3.535 -18.366 2.442 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -1.820 -18.694 2.584 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -2.974 -20.507 1.516 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -2.328 -21.020 3.000 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -3.990 -20.701 2.862 1.00 0.00 H new ATOM 1842 N SER B 42 -1.686 -14.576 1.970 1.00 0.00 N ATOM 1843 CA SER B 42 -1.948 -14.298 0.568 1.00 0.00 C ATOM 1844 C SER B 42 -0.619 -14.151 -0.176 1.00 0.00 C ATOM 1845 O SER B 42 -0.497 -14.705 -1.278 1.00 0.00 O ATOM 1846 CB SER B 42 -2.794 -13.034 0.397 1.00 0.00 C ATOM 1847 OG SER B 42 -3.446 -12.996 -0.870 1.00 0.00 O ATOM 0 H SER B 42 -2.015 -13.853 2.609 1.00 0.00 H new ATOM 0 HA SER B 42 -2.513 -15.131 0.150 1.00 0.00 H new ATOM 0 HB2 SER B 42 -3.540 -12.987 1.190 1.00 0.00 H new ATOM 0 HB3 SER B 42 -2.159 -12.155 0.504 1.00 0.00 H new ATOM 0 HG SER B 42 -3.977 -12.175 -0.940 1.00 0.00 H new ATOM 1853 N LEU B 43 0.334 -13.421 0.431 1.00 0.00 N ATOM 1854 CA LEU B 43 1.639 -13.206 -0.170 1.00 0.00 C ATOM 1855 C LEU B 43 2.367 -14.547 -0.292 1.00 0.00 C ATOM 1856 O LEU B 43 2.706 -14.934 -1.420 1.00 0.00 O ATOM 1857 CB LEU B 43 2.422 -12.151 0.612 1.00 0.00 C ATOM 1858 CG LEU B 43 3.568 -11.471 -0.140 1.00 0.00 C ATOM 1859 CD1 LEU B 43 3.034 -10.471 -1.167 1.00 0.00 C ATOM 1860 CD2 LEU B 43 4.553 -10.821 0.834 1.00 0.00 C ATOM 0 H LEU B 43 0.213 -12.974 1.340 1.00 0.00 H new ATOM 0 HA LEU B 43 1.532 -12.807 -1.179 1.00 0.00 H new ATOM 0 HB2 LEU B 43 1.725 -11.382 0.944 1.00 0.00 H new ATOM 0 HB3 LEU B 43 2.829 -12.620 1.508 1.00 0.00 H new ATOM 0 HG LEU B 43 4.116 -12.236 -0.691 1.00 0.00 H new ATOM 0 HD11 LEU B 43 3.869 -10.002 -1.687 1.00 0.00 H new ATOM 0 HD12 LEU B 43 2.404 -10.992 -1.888 1.00 0.00 H new ATOM 0 HD13 LEU B 43 2.448 -9.706 -0.659 1.00 0.00 H new ATOM 0 HD21 LEU B 43 5.358 -10.345 0.274 1.00 0.00 H new ATOM 0 HD22 LEU B 43 4.033 -10.071 1.431 1.00 0.00 H new ATOM 0 HD23 LEU B 43 4.971 -11.583 1.492 1.00 0.00 H new ATOM 1872 N ARG B 44 2.587 -15.218 0.852 1.00 0.00 N ATOM 1873 CA ARG B 44 3.267 -16.502 0.874 1.00 0.00 C ATOM 1874 C ARG B 44 2.762 -17.361 -0.288 1.00 0.00 C ATOM 1875 O ARG B 44 3.598 -17.914 -1.018 1.00 0.00 O ATOM 1876 CB ARG B 44 3.028 -17.245 2.189 1.00 0.00 C ATOM 1877 CG ARG B 44 3.981 -18.434 2.329 1.00 0.00 C ATOM 1878 CD ARG B 44 4.933 -18.238 3.511 1.00 0.00 C ATOM 1879 NE ARG B 44 4.272 -18.657 4.767 1.00 0.00 N ATOM 1880 CZ ARG B 44 4.883 -19.361 5.744 1.00 0.00 C ATOM 1881 NH1 ARG B 44 6.166 -19.712 5.588 1.00 0.00 N ATOM 1882 NH2 ARG B 44 4.214 -19.703 6.855 1.00 0.00 N ATOM 0 H ARG B 44 2.298 -14.882 1.771 1.00 0.00 H new ATOM 0 HA ARG B 44 4.337 -16.319 0.778 1.00 0.00 H new ATOM 0 HB2 ARG B 44 3.168 -16.562 3.027 1.00 0.00 H new ATOM 0 HB3 ARG B 44 1.996 -17.594 2.231 1.00 0.00 H new ATOM 0 HG2 ARG B 44 3.407 -19.350 2.468 1.00 0.00 H new ATOM 0 HG3 ARG B 44 4.556 -18.554 1.411 1.00 0.00 H new ATOM 0 HD2 ARG B 44 5.842 -18.820 3.357 1.00 0.00 H new ATOM 0 HD3 ARG B 44 5.232 -17.192 3.579 1.00 0.00 H new ATOM 0 HE ARG B 44 3.295 -18.398 4.903 1.00 0.00 H new ATOM 0 HH11 ARG B 44 6.668 -19.447 4.740 1.00 0.00 H new ATOM 0 HH12 ARG B 44 6.641 -20.244 6.317 1.00 0.00 H new ATOM 0 HH21 ARG B 44 3.237 -19.431 6.966 1.00 0.00 H new ATOM 0 HH22 ARG B 44 4.682 -20.235 7.589 1.00 0.00 H new ATOM 1896 N GLY B 45 1.429 -17.453 -0.435 1.00 0.00 N ATOM 1897 CA GLY B 45 0.823 -18.236 -1.497 1.00 0.00 C ATOM 1898 C GLY B 45 1.246 -17.663 -2.851 1.00 0.00 C ATOM 1899 O GLY B 45 1.652 -18.447 -3.722 1.00 0.00 O ATOM 0 H GLY B 45 0.758 -16.988 0.177 1.00 0.00 H new ATOM 0 HA2 GLY B 45 1.132 -19.278 -1.418 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -0.263 -18.217 -1.404 1.00 0.00 H new ATOM 1903 N ARG B 46 1.144 -16.330 -3.000 1.00 0.00 N ATOM 1904 CA ARG B 46 1.513 -15.663 -4.237 1.00 0.00 C ATOM 1905 C ARG B 46 2.968 -15.993 -4.575 1.00 0.00 C ATOM 1906 O ARG B 46 3.198 -16.684 -5.579 1.00 0.00 O ATOM 1907 CB ARG B 46 1.354 -14.145 -4.128 1.00 0.00 C ATOM 1908 CG ARG B 46 -0.104 -13.731 -4.334 1.00 0.00 C ATOM 1909 CD ARG B 46 -0.211 -12.233 -4.633 1.00 0.00 C ATOM 1910 NE ARG B 46 -1.006 -12.019 -5.863 1.00 0.00 N ATOM 1911 CZ ARG B 46 -0.823 -10.986 -6.713 1.00 0.00 C ATOM 1912 NH1 ARG B 46 0.133 -10.086 -6.443 1.00 0.00 N ATOM 1913 NH2 ARG B 46 -1.586 -10.861 -7.807 1.00 0.00 N ATOM 0 H ARG B 46 0.807 -15.702 -2.270 1.00 0.00 H new ATOM 0 HA ARG B 46 0.848 -16.019 -5.024 1.00 0.00 H new ATOM 0 HB2 ARG B 46 1.696 -13.809 -3.149 1.00 0.00 H new ATOM 0 HB3 ARG B 46 1.983 -13.655 -4.871 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -0.535 -14.302 -5.157 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -0.683 -13.970 -3.442 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -0.679 -11.719 -3.794 1.00 0.00 H new ATOM 0 HD3 ARG B 46 0.784 -11.806 -4.754 1.00 0.00 H new ATOM 0 HE ARG B 46 -1.738 -12.694 -6.082 1.00 0.00 H new ATOM 0 HH11 ARG B 46 0.708 -10.188 -5.607 1.00 0.00 H new ATOM 0 HH12 ARG B 46 0.286 -9.299 -7.074 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -2.312 -11.550 -8.004 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -1.441 -10.077 -8.443 1.00 0.00 H new ATOM 1927 N GLY B 47 3.906 -15.502 -3.745 1.00 0.00 N ATOM 1928 CA GLY B 47 5.323 -15.743 -3.954 1.00 0.00 C ATOM 1929 C GLY B 47 5.556 -17.242 -4.162 1.00 0.00 C ATOM 1930 O GLY B 47 5.976 -17.627 -5.262 1.00 0.00 O ATOM 0 H GLY B 47 3.695 -14.935 -2.924 1.00 0.00 H new ATOM 0 HA2 GLY B 47 5.674 -15.185 -4.822 1.00 0.00 H new ATOM 0 HA3 GLY B 47 5.894 -15.390 -3.095 1.00 0.00 H new ATOM 1934 N SER B 48 5.282 -18.043 -3.116 1.00 0.00 N ATOM 1935 CA SER B 48 5.459 -19.484 -3.184 1.00 0.00 C ATOM 1936 C SER B 48 5.041 -19.980 -4.570 1.00 0.00 C ATOM 1937 O SER B 48 5.889 -20.554 -5.270 1.00 0.00 O ATOM 1938 CB SER B 48 4.653 -20.199 -2.098 1.00 0.00 C ATOM 1939 OG SER B 48 4.939 -21.595 -2.053 1.00 0.00 O ATOM 0 H SER B 48 4.937 -17.705 -2.218 1.00 0.00 H new ATOM 0 HA SER B 48 6.511 -19.712 -3.014 1.00 0.00 H new ATOM 0 HB2 SER B 48 4.874 -19.752 -1.129 1.00 0.00 H new ATOM 0 HB3 SER B 48 3.588 -20.053 -2.281 1.00 0.00 H new ATOM 0 HG SER B 48 4.406 -22.015 -1.346 1.00 0.00 H new ATOM 1945 N THR B 49 3.766 -19.755 -4.931 1.00 0.00 N ATOM 1946 CA THR B 49 3.244 -20.178 -6.220 1.00 0.00 C ATOM 1947 C THR B 49 4.307 -19.944 -7.296 1.00 0.00 C ATOM 1948 O THR B 49 4.614 -20.891 -8.035 1.00 0.00 O ATOM 1949 CB THR B 49 1.936 -19.429 -6.486 1.00 0.00 C ATOM 1950 OG1 THR B 49 0.934 -20.274 -5.926 1.00 0.00 O ATOM 1951 CG2 THR B 49 1.586 -19.373 -7.975 1.00 0.00 C ATOM 0 H THR B 49 3.085 -19.280 -4.339 1.00 0.00 H new ATOM 0 HA THR B 49 3.017 -21.244 -6.231 1.00 0.00 H new ATOM 0 HB THR B 49 2.011 -18.415 -6.092 1.00 0.00 H new ATOM 0 HG1 THR B 49 0.773 -20.017 -4.994 1.00 0.00 H new ATOM 0 HG21 THR B 49 0.650 -18.831 -8.109 1.00 0.00 H new ATOM 0 HG22 THR B 49 2.382 -18.862 -8.517 1.00 0.00 H new ATOM 0 HG23 THR B 49 1.477 -20.386 -8.361 1.00 0.00 H new ATOM 1959 N LEU B 50 4.838 -18.710 -7.360 1.00 0.00 N ATOM 1960 CA LEU B 50 5.855 -18.360 -8.337 1.00 0.00 C ATOM 1961 C LEU B 50 7.160 -19.080 -7.989 1.00 0.00 C ATOM 1962 O LEU B 50 7.627 -19.885 -8.807 1.00 0.00 O ATOM 1963 CB LEU B 50 6.000 -16.840 -8.439 1.00 0.00 C ATOM 1964 CG LEU B 50 5.818 -16.242 -9.836 1.00 0.00 C ATOM 1965 CD1 LEU B 50 5.860 -14.713 -9.786 1.00 0.00 C ATOM 1966 CD2 LEU B 50 6.845 -16.812 -10.815 1.00 0.00 C ATOM 0 H LEU B 50 4.571 -17.945 -6.740 1.00 0.00 H new ATOM 0 HA LEU B 50 5.560 -18.696 -9.331 1.00 0.00 H new ATOM 0 HB2 LEU B 50 5.272 -16.380 -7.771 1.00 0.00 H new ATOM 0 HB3 LEU B 50 6.989 -16.564 -8.073 1.00 0.00 H new ATOM 0 HG LEU B 50 4.832 -16.526 -10.204 1.00 0.00 H new ATOM 0 HD11 LEU B 50 5.728 -14.312 -10.791 1.00 0.00 H new ATOM 0 HD12 LEU B 50 5.060 -14.348 -9.142 1.00 0.00 H new ATOM 0 HD13 LEU B 50 6.822 -14.388 -9.389 1.00 0.00 H new ATOM 0 HD21 LEU B 50 6.693 -16.370 -11.800 1.00 0.00 H new ATOM 0 HD22 LEU B 50 7.850 -16.579 -10.464 1.00 0.00 H new ATOM 0 HD23 LEU B 50 6.725 -17.893 -10.880 1.00 0.00 H new ATOM 1978 N GLY B 51 7.712 -18.782 -6.799 1.00 0.00 N ATOM 1979 CA GLY B 51 8.950 -19.396 -6.350 1.00 0.00 C ATOM 1980 C GLY B 51 10.118 -18.451 -6.640 1.00 0.00 C ATOM 1981 O GLY B 51 11.252 -18.936 -6.764 1.00 0.00 O ATOM 0 H GLY B 51 7.310 -18.117 -6.138 1.00 0.00 H new ATOM 0 HA2 GLY B 51 8.897 -19.610 -5.283 1.00 0.00 H new ATOM 0 HA3 GLY B 51 9.103 -20.348 -6.859 1.00 0.00 H new ATOM 1985 N LEU B 52 9.824 -17.143 -6.742 1.00 0.00 N ATOM 1986 CA LEU B 52 10.843 -16.143 -7.016 1.00 0.00 C ATOM 1987 C LEU B 52 11.608 -15.836 -5.727 1.00 0.00 C ATOM 1988 O LEU B 52 12.467 -16.644 -5.345 1.00 0.00 O ATOM 1989 CB LEU B 52 10.219 -14.909 -7.671 1.00 0.00 C ATOM 1990 CG LEU B 52 9.601 -15.123 -9.055 1.00 0.00 C ATOM 1991 CD1 LEU B 52 9.229 -13.787 -9.701 1.00 0.00 C ATOM 1992 CD2 LEU B 52 10.526 -15.953 -9.945 1.00 0.00 C ATOM 0 H LEU B 52 8.883 -16.764 -6.637 1.00 0.00 H new ATOM 0 HA LEU B 52 11.569 -16.524 -7.735 1.00 0.00 H new ATOM 0 HB2 LEU B 52 9.447 -14.521 -7.007 1.00 0.00 H new ATOM 0 HB3 LEU B 52 10.986 -14.139 -7.753 1.00 0.00 H new ATOM 0 HG LEU B 52 8.678 -15.690 -8.934 1.00 0.00 H new ATOM 0 HD11 LEU B 52 8.792 -13.967 -10.683 1.00 0.00 H new ATOM 0 HD12 LEU B 52 8.506 -13.267 -9.072 1.00 0.00 H new ATOM 0 HD13 LEU B 52 10.123 -13.173 -9.809 1.00 0.00 H new ATOM 0 HD21 LEU B 52 10.063 -16.091 -10.922 1.00 0.00 H new ATOM 0 HD22 LEU B 52 11.478 -15.435 -10.064 1.00 0.00 H new ATOM 0 HD23 LEU B 52 10.697 -16.926 -9.485 1.00 0.00 H new ATOM 2004 N ASN B 53 11.288 -14.693 -5.095 1.00 0.00 N ATOM 2005 CA ASN B 53 11.941 -14.285 -3.862 1.00 0.00 C ATOM 2006 C ASN B 53 11.236 -13.048 -3.302 1.00 0.00 C ATOM 2007 O ASN B 53 11.459 -11.950 -3.833 1.00 0.00 O ATOM 2008 CB ASN B 53 13.407 -13.923 -4.110 1.00 0.00 C ATOM 2009 CG ASN B 53 14.336 -14.789 -3.257 1.00 0.00 C ATOM 2010 OD1 ASN B 53 15.240 -15.445 -3.748 1.00 0.00 O ATOM 2011 ND2 ASN B 53 14.065 -14.756 -1.956 1.00 0.00 N ATOM 0 H ASN B 53 10.578 -14.041 -5.428 1.00 0.00 H new ATOM 0 HA ASN B 53 11.889 -15.118 -3.160 1.00 0.00 H new ATOM 0 HB2 ASN B 53 13.645 -14.057 -5.165 1.00 0.00 H new ATOM 0 HB3 ASN B 53 13.570 -12.871 -3.878 1.00 0.00 H new ATOM 0 HD21 ASN B 53 14.629 -15.301 -1.304 1.00 0.00 H new ATOM 0 HD22 ASN B 53 13.293 -14.186 -1.610 1.00 0.00 H new ATOM 2018 N ILE B 54 10.413 -13.247 -2.257 1.00 0.00 N ATOM 2019 CA ILE B 54 9.685 -12.155 -1.634 1.00 0.00 C ATOM 2020 C ILE B 54 10.589 -10.923 -1.555 1.00 0.00 C ATOM 2021 O ILE B 54 10.125 -9.828 -1.905 1.00 0.00 O ATOM 2022 CB ILE B 54 9.121 -12.591 -0.279 1.00 0.00 C ATOM 2023 CG1 ILE B 54 7.684 -13.096 -0.421 1.00 0.00 C ATOM 2024 CG2 ILE B 54 9.235 -11.466 0.751 1.00 0.00 C ATOM 2025 CD1 ILE B 54 7.626 -14.350 -1.297 1.00 0.00 C ATOM 0 H ILE B 54 10.243 -14.160 -1.834 1.00 0.00 H new ATOM 0 HA ILE B 54 8.822 -11.879 -2.240 1.00 0.00 H new ATOM 0 HB ILE B 54 9.720 -13.424 0.088 1.00 0.00 H new ATOM 0 HG12 ILE B 54 7.274 -13.317 0.564 1.00 0.00 H new ATOM 0 HG13 ILE B 54 7.062 -12.315 -0.857 1.00 0.00 H new ATOM 0 HG21 ILE B 54 8.827 -11.803 1.704 1.00 0.00 H new ATOM 0 HG22 ILE B 54 10.283 -11.196 0.880 1.00 0.00 H new ATOM 0 HG23 ILE B 54 8.676 -10.597 0.404 1.00 0.00 H new ATOM 0 HD11 ILE B 54 6.593 -14.688 -1.381 1.00 0.00 H new ATOM 0 HD12 ILE B 54 8.014 -14.119 -2.289 1.00 0.00 H new ATOM 0 HD13 ILE B 54 8.229 -15.137 -0.845 1.00 0.00 H new ATOM 2037 N GLU B 55 11.840 -11.122 -1.104 1.00 0.00 N ATOM 2038 CA GLU B 55 12.797 -10.036 -0.981 1.00 0.00 C ATOM 2039 C GLU B 55 13.069 -9.443 -2.366 1.00 0.00 C ATOM 2040 O GLU B 55 12.811 -8.246 -2.555 1.00 0.00 O ATOM 2041 CB GLU B 55 14.096 -10.502 -0.321 1.00 0.00 C ATOM 2042 CG GLU B 55 14.453 -9.615 0.874 1.00 0.00 C ATOM 2043 CD GLU B 55 15.830 -9.979 1.434 1.00 0.00 C ATOM 2044 OE1 GLU B 55 16.671 -10.426 0.566 1.00 0.00 O ATOM 2045 OE2 GLU B 55 16.064 -9.835 2.643 1.00 0.00 O ATOM 0 H GLU B 55 12.202 -12.033 -0.821 1.00 0.00 H new ATOM 0 HA GLU B 55 12.371 -9.267 -0.336 1.00 0.00 H new ATOM 0 HB2 GLU B 55 13.991 -11.536 0.008 1.00 0.00 H new ATOM 0 HB3 GLU B 55 14.906 -10.480 -1.050 1.00 0.00 H new ATOM 0 HG2 GLU B 55 14.445 -8.568 0.570 1.00 0.00 H new ATOM 0 HG3 GLU B 55 13.698 -9.727 1.653 1.00 0.00 H new ATOM 2052 N ALA B 56 13.575 -10.278 -3.291 1.00 0.00 N ATOM 2053 CA ALA B 56 13.876 -9.839 -4.642 1.00 0.00 C ATOM 2054 C ALA B 56 12.703 -9.015 -5.180 1.00 0.00 C ATOM 2055 O ALA B 56 12.904 -7.827 -5.472 1.00 0.00 O ATOM 2056 CB ALA B 56 14.002 -11.055 -5.563 1.00 0.00 C ATOM 0 H ALA B 56 13.780 -11.261 -3.115 1.00 0.00 H new ATOM 0 HA ALA B 56 14.799 -9.260 -4.618 1.00 0.00 H new ATOM 0 HB1 ALA B 56 14.228 -10.722 -6.576 1.00 0.00 H new ATOM 0 HB2 ALA B 56 14.804 -11.700 -5.206 1.00 0.00 H new ATOM 0 HB3 ALA B 56 13.064 -11.609 -5.564 1.00 0.00 H new ATOM 2062 N ALA B 57 11.524 -9.651 -5.297 1.00 0.00 N ATOM 2063 CA ALA B 57 10.335 -8.980 -5.793 1.00 0.00 C ATOM 2064 C ALA B 57 10.204 -7.614 -5.117 1.00 0.00 C ATOM 2065 O ALA B 57 10.341 -6.596 -5.812 1.00 0.00 O ATOM 2066 CB ALA B 57 9.091 -9.777 -5.395 1.00 0.00 C ATOM 0 H ALA B 57 11.381 -10.631 -5.051 1.00 0.00 H new ATOM 0 HA ALA B 57 10.418 -8.887 -6.876 1.00 0.00 H new ATOM 0 HB1 ALA B 57 8.200 -9.272 -5.768 1.00 0.00 H new ATOM 0 HB2 ALA B 57 9.147 -10.777 -5.824 1.00 0.00 H new ATOM 0 HB3 ALA B 57 9.038 -9.851 -4.309 1.00 0.00 H new ATOM 2072 N THR B 58 9.946 -7.617 -3.797 1.00 0.00 N ATOM 2073 CA THR B 58 9.799 -6.387 -3.038 1.00 0.00 C ATOM 2074 C THR B 58 10.956 -5.444 -3.375 1.00 0.00 C ATOM 2075 O THR B 58 10.761 -4.222 -3.300 1.00 0.00 O ATOM 2076 CB THR B 58 9.717 -6.738 -1.551 1.00 0.00 C ATOM 2077 OG1 THR B 58 8.730 -5.845 -1.039 1.00 0.00 O ATOM 2078 CG2 THR B 58 10.989 -6.363 -0.788 1.00 0.00 C ATOM 0 H THR B 58 9.837 -8.466 -3.243 1.00 0.00 H new ATOM 0 HA THR B 58 8.881 -5.862 -3.300 1.00 0.00 H new ATOM 0 HB THR B 58 9.530 -7.806 -1.440 1.00 0.00 H new ATOM 0 HG1 THR B 58 8.335 -6.225 -0.227 1.00 0.00 H new ATOM 0 HG21 THR B 58 10.877 -6.634 0.262 1.00 0.00 H new ATOM 0 HG22 THR B 58 11.839 -6.898 -1.212 1.00 0.00 H new ATOM 0 HG23 THR B 58 11.159 -5.289 -0.870 1.00 0.00 H new ATOM 2086 N HIS B 59 12.117 -6.019 -3.735 1.00 0.00 N ATOM 2087 CA HIS B 59 13.290 -5.234 -4.081 1.00 0.00 C ATOM 2088 C HIS B 59 12.970 -4.348 -5.286 1.00 0.00 C ATOM 2089 O HIS B 59 12.946 -3.119 -5.125 1.00 0.00 O ATOM 2090 CB HIS B 59 14.504 -6.137 -4.314 1.00 0.00 C ATOM 2091 CG HIS B 59 15.799 -5.576 -3.780 1.00 0.00 C ATOM 2092 ND1 HIS B 59 16.968 -5.549 -4.522 1.00 0.00 N ATOM 2093 CD2 HIS B 59 16.098 -5.019 -2.571 1.00 0.00 C ATOM 2094 CE1 HIS B 59 17.920 -5.000 -3.782 1.00 0.00 C ATOM 2095 NE2 HIS B 59 17.379 -4.672 -2.573 1.00 0.00 N ATOM 0 H HIS B 59 12.257 -7.028 -3.791 1.00 0.00 H new ATOM 0 HA HIS B 59 13.555 -4.581 -3.249 1.00 0.00 H new ATOM 0 HB2 HIS B 59 14.319 -7.104 -3.847 1.00 0.00 H new ATOM 0 HB3 HIS B 59 14.611 -6.315 -5.384 1.00 0.00 H new ATOM 0 HD2 HIS B 59 15.409 -4.883 -1.751 1.00 0.00 H new ATOM 0 HE1 HIS B 59 18.945 -4.840 -4.083 1.00 0.00 H new ATOM 0 HE2 HIS B 59 17.877 -4.233 -1.799 1.00 0.00 H new ATOM 2103 N VAL B 60 12.734 -4.978 -6.451 1.00 0.00 N ATOM 2104 CA VAL B 60 12.418 -4.252 -7.669 1.00 0.00 C ATOM 2105 C VAL B 60 11.259 -3.290 -7.398 1.00 0.00 C ATOM 2106 O VAL B 60 11.313 -2.150 -7.880 1.00 0.00 O ATOM 2107 CB VAL B 60 12.126 -5.236 -8.804 1.00 0.00 C ATOM 2108 CG1 VAL B 60 11.057 -4.682 -9.748 1.00 0.00 C ATOM 2109 CG2 VAL B 60 13.405 -5.586 -9.567 1.00 0.00 C ATOM 0 H VAL B 60 12.759 -5.992 -6.562 1.00 0.00 H new ATOM 0 HA VAL B 60 13.270 -3.652 -7.988 1.00 0.00 H new ATOM 0 HB VAL B 60 11.738 -6.154 -8.362 1.00 0.00 H new ATOM 0 HG11 VAL B 60 10.868 -5.401 -10.546 1.00 0.00 H new ATOM 0 HG12 VAL B 60 10.136 -4.507 -9.192 1.00 0.00 H new ATOM 0 HG13 VAL B 60 11.404 -3.743 -10.180 1.00 0.00 H new ATOM 0 HG21 VAL B 60 13.170 -6.287 -10.368 1.00 0.00 H new ATOM 0 HG22 VAL B 60 13.835 -4.679 -9.992 1.00 0.00 H new ATOM 0 HG23 VAL B 60 14.122 -6.042 -8.885 1.00 0.00 H new ATOM 2119 N GLY B 61 10.249 -3.762 -6.645 1.00 0.00 N ATOM 2120 CA GLY B 61 9.089 -2.949 -6.315 1.00 0.00 C ATOM 2121 C GLY B 61 9.551 -1.672 -5.611 1.00 0.00 C ATOM 2122 O GLY B 61 9.099 -0.587 -6.003 1.00 0.00 O ATOM 0 H GLY B 61 10.223 -4.705 -6.258 1.00 0.00 H new ATOM 0 HA2 GLY B 61 8.536 -2.699 -7.221 1.00 0.00 H new ATOM 0 HA3 GLY B 61 8.410 -3.508 -5.671 1.00 0.00 H new ATOM 2126 N LYS B 62 10.428 -1.824 -4.602 1.00 0.00 N ATOM 2127 CA LYS B 62 10.942 -0.690 -3.853 1.00 0.00 C ATOM 2128 C LYS B 62 11.527 0.336 -4.826 1.00 0.00 C ATOM 2129 O LYS B 62 11.407 1.540 -4.555 1.00 0.00 O ATOM 2130 CB LYS B 62 11.934 -1.160 -2.786 1.00 0.00 C ATOM 2131 CG LYS B 62 13.043 -0.127 -2.577 1.00 0.00 C ATOM 2132 CD LYS B 62 12.479 1.179 -2.016 1.00 0.00 C ATOM 2133 CE LYS B 62 13.102 2.389 -2.715 1.00 0.00 C ATOM 2134 NZ LYS B 62 14.047 3.073 -1.817 1.00 0.00 N ATOM 0 H LYS B 62 10.789 -2.727 -4.295 1.00 0.00 H new ATOM 0 HA LYS B 62 10.136 -0.193 -3.312 1.00 0.00 H new ATOM 0 HB2 LYS B 62 11.409 -1.331 -1.846 1.00 0.00 H new ATOM 0 HB3 LYS B 62 12.371 -2.113 -3.085 1.00 0.00 H new ATOM 0 HG2 LYS B 62 13.792 -0.526 -1.894 1.00 0.00 H new ATOM 0 HG3 LYS B 62 13.546 0.068 -3.524 1.00 0.00 H new ATOM 0 HD2 LYS B 62 11.397 1.197 -2.145 1.00 0.00 H new ATOM 0 HD3 LYS B 62 12.673 1.233 -0.945 1.00 0.00 H new ATOM 0 HE2 LYS B 62 13.618 2.068 -3.620 1.00 0.00 H new ATOM 0 HE3 LYS B 62 12.319 3.081 -3.024 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 14.461 3.892 -2.307 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 13.545 3.396 -0.966 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 14.804 2.415 -1.543 1.00 0.00 H new ATOM 2148 N GLN B 63 12.137 -0.152 -5.920 1.00 0.00 N ATOM 2149 CA GLN B 63 12.733 0.717 -6.921 1.00 0.00 C ATOM 2150 C GLN B 63 11.623 1.405 -7.719 1.00 0.00 C ATOM 2151 O GLN B 63 11.772 2.595 -8.032 1.00 0.00 O ATOM 2152 CB GLN B 63 13.674 -0.055 -7.848 1.00 0.00 C ATOM 2153 CG GLN B 63 15.130 0.103 -7.405 1.00 0.00 C ATOM 2154 CD GLN B 63 15.450 -0.821 -6.229 1.00 0.00 C ATOM 2155 OE1 GLN B 63 15.044 -2.076 -6.401 1.00 0.00 O flip ATOM 2156 NE2 GLN B 63 16.026 -0.421 -5.230 1.00 0.00 N flip ATOM 0 H GLN B 63 12.225 -1.148 -6.124 1.00 0.00 H new ATOM 0 HA GLN B 63 13.334 1.472 -6.414 1.00 0.00 H new ATOM 0 HB2 GLN B 63 13.403 -1.111 -7.850 1.00 0.00 H new ATOM 0 HB3 GLN B 63 13.560 0.305 -8.870 1.00 0.00 H new ATOM 0 HG2 GLN B 63 15.794 -0.122 -8.240 1.00 0.00 H new ATOM 0 HG3 GLN B 63 15.316 1.138 -7.120 1.00 0.00 H new ATOM 0 HE21 GLN B 63 16.311 0.556 -5.162 1.00 0.00 H new ATOM 0 HE22 GLN B 63 16.223 -1.064 -4.463 1.00 0.00 H new ATOM 2165 N ILE B 64 10.548 0.656 -8.026 1.00 0.00 N ATOM 2166 CA ILE B 64 9.427 1.190 -8.779 1.00 0.00 C ATOM 2167 C ILE B 64 8.809 2.357 -8.006 1.00 0.00 C ATOM 2168 O ILE B 64 8.516 3.388 -8.629 1.00 0.00 O ATOM 2169 CB ILE B 64 8.430 0.079 -9.116 1.00 0.00 C ATOM 2170 CG1 ILE B 64 8.246 -0.052 -10.630 1.00 0.00 C ATOM 2171 CG2 ILE B 64 7.099 0.299 -8.395 1.00 0.00 C ATOM 2172 CD1 ILE B 64 7.504 1.160 -11.199 1.00 0.00 C ATOM 0 H ILE B 64 10.444 -0.323 -7.758 1.00 0.00 H new ATOM 0 HA ILE B 64 9.765 1.585 -9.737 1.00 0.00 H new ATOM 0 HB ILE B 64 8.838 -0.866 -8.758 1.00 0.00 H new ATOM 0 HG12 ILE B 64 9.219 -0.146 -11.111 1.00 0.00 H new ATOM 0 HG13 ILE B 64 7.690 -0.962 -10.855 1.00 0.00 H new ATOM 0 HG21 ILE B 64 6.409 -0.505 -8.652 1.00 0.00 H new ATOM 0 HG22 ILE B 64 7.265 0.304 -7.318 1.00 0.00 H new ATOM 0 HG23 ILE B 64 6.673 1.255 -8.701 1.00 0.00 H new ATOM 0 HD11 ILE B 64 7.386 1.042 -12.276 1.00 0.00 H new ATOM 0 HD12 ILE B 64 6.522 1.237 -10.733 1.00 0.00 H new ATOM 0 HD13 ILE B 64 8.075 2.066 -10.994 1.00 0.00 H new ATOM 2184 N VAL B 65 8.625 2.175 -6.686 1.00 0.00 N ATOM 2185 CA VAL B 65 8.048 3.205 -5.839 1.00 0.00 C ATOM 2186 C VAL B 65 8.994 4.407 -5.789 1.00 0.00 C ATOM 2187 O VAL B 65 8.525 5.535 -5.996 1.00 0.00 O ATOM 2188 CB VAL B 65 7.736 2.631 -4.455 1.00 0.00 C ATOM 2189 CG1 VAL B 65 7.380 3.744 -3.469 1.00 0.00 C ATOM 2190 CG2 VAL B 65 6.618 1.588 -4.533 1.00 0.00 C ATOM 0 H VAL B 65 8.872 1.317 -6.192 1.00 0.00 H new ATOM 0 HA VAL B 65 7.101 3.553 -6.252 1.00 0.00 H new ATOM 0 HB VAL B 65 8.633 2.133 -4.088 1.00 0.00 H new ATOM 0 HG11 VAL B 65 7.163 3.310 -2.493 1.00 0.00 H new ATOM 0 HG12 VAL B 65 8.219 4.434 -3.380 1.00 0.00 H new ATOM 0 HG13 VAL B 65 6.504 4.283 -3.830 1.00 0.00 H new ATOM 0 HG21 VAL B 65 6.416 1.196 -3.536 1.00 0.00 H new ATOM 0 HG22 VAL B 65 5.715 2.051 -4.931 1.00 0.00 H new ATOM 0 HG23 VAL B 65 6.926 0.773 -5.188 1.00 0.00 H new ATOM 2200 N GLU B 66 10.285 4.145 -5.519 1.00 0.00 N ATOM 2201 CA GLU B 66 11.284 5.199 -5.443 1.00 0.00 C ATOM 2202 C GLU B 66 11.288 5.987 -6.754 1.00 0.00 C ATOM 2203 O GLU B 66 11.576 7.192 -6.716 1.00 0.00 O ATOM 2204 CB GLU B 66 12.673 4.634 -5.137 1.00 0.00 C ATOM 2205 CG GLU B 66 13.627 4.861 -6.312 1.00 0.00 C ATOM 2206 CD GLU B 66 15.020 4.306 -6.001 1.00 0.00 C ATOM 2207 OE1 GLU B 66 15.644 4.906 -5.045 1.00 0.00 O ATOM 2208 OE2 GLU B 66 15.465 3.350 -6.653 1.00 0.00 O ATOM 0 H GLU B 66 10.651 3.208 -5.351 1.00 0.00 H new ATOM 0 HA GLU B 66 11.026 5.868 -4.622 1.00 0.00 H new ATOM 0 HB2 GLU B 66 13.074 5.109 -4.241 1.00 0.00 H new ATOM 0 HB3 GLU B 66 12.597 3.567 -4.926 1.00 0.00 H new ATOM 0 HG2 GLU B 66 13.231 4.379 -7.206 1.00 0.00 H new ATOM 0 HG3 GLU B 66 13.696 5.927 -6.529 1.00 0.00 H new ATOM 2215 N LYS B 67 10.976 5.303 -7.869 1.00 0.00 N ATOM 2216 CA LYS B 67 10.946 5.935 -9.177 1.00 0.00 C ATOM 2217 C LYS B 67 9.750 6.888 -9.250 1.00 0.00 C ATOM 2218 O LYS B 67 9.871 7.937 -9.900 1.00 0.00 O ATOM 2219 CB LYS B 67 10.958 4.879 -10.283 1.00 0.00 C ATOM 2220 CG LYS B 67 10.705 5.514 -11.652 1.00 0.00 C ATOM 2221 CD LYS B 67 10.404 4.446 -12.705 1.00 0.00 C ATOM 2222 CE LYS B 67 10.905 4.880 -14.084 1.00 0.00 C ATOM 2223 NZ LYS B 67 10.138 6.038 -14.571 1.00 0.00 N ATOM 0 H LYS B 67 10.742 4.310 -7.878 1.00 0.00 H new ATOM 0 HA LYS B 67 11.843 6.535 -9.331 1.00 0.00 H new ATOM 0 HB2 LYS B 67 11.919 4.365 -10.289 1.00 0.00 H new ATOM 0 HB3 LYS B 67 10.195 4.127 -10.081 1.00 0.00 H new ATOM 0 HG2 LYS B 67 9.868 6.210 -11.585 1.00 0.00 H new ATOM 0 HG3 LYS B 67 11.577 6.093 -11.955 1.00 0.00 H new ATOM 0 HD2 LYS B 67 10.878 3.506 -12.421 1.00 0.00 H new ATOM 0 HD3 LYS B 67 9.330 4.262 -12.745 1.00 0.00 H new ATOM 0 HE2 LYS B 67 11.963 5.135 -14.029 1.00 0.00 H new ATOM 0 HE3 LYS B 67 10.812 4.053 -14.788 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 10.433 6.266 -15.542 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 9.123 5.811 -14.562 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 10.315 6.856 -13.954 1.00 0.00 H new ATOM 2237 N ILE B 68 8.638 6.510 -8.593 1.00 0.00 N ATOM 2238 CA ILE B 68 7.436 7.325 -8.585 1.00 0.00 C ATOM 2239 C ILE B 68 7.624 8.494 -7.615 1.00 0.00 C ATOM 2240 O ILE B 68 7.025 9.555 -7.847 1.00 0.00 O ATOM 2241 CB ILE B 68 6.207 6.465 -8.279 1.00 0.00 C ATOM 2242 CG1 ILE B 68 5.569 5.943 -9.568 1.00 0.00 C ATOM 2243 CG2 ILE B 68 5.205 7.228 -7.412 1.00 0.00 C ATOM 2244 CD1 ILE B 68 5.170 4.473 -9.427 1.00 0.00 C ATOM 0 H ILE B 68 8.559 5.642 -8.064 1.00 0.00 H new ATOM 0 HA ILE B 68 7.260 7.753 -9.572 1.00 0.00 H new ATOM 0 HB ILE B 68 6.532 5.597 -7.706 1.00 0.00 H new ATOM 0 HG12 ILE B 68 4.690 6.540 -9.810 1.00 0.00 H new ATOM 0 HG13 ILE B 68 6.269 6.056 -10.396 1.00 0.00 H new ATOM 0 HG21 ILE B 68 4.342 6.594 -7.210 1.00 0.00 H new ATOM 0 HG22 ILE B 68 5.678 7.508 -6.471 1.00 0.00 H new ATOM 0 HG23 ILE B 68 4.880 8.127 -7.937 1.00 0.00 H new ATOM 0 HD11 ILE B 68 4.719 4.128 -10.357 1.00 0.00 H new ATOM 0 HD12 ILE B 68 6.055 3.875 -9.209 1.00 0.00 H new ATOM 0 HD13 ILE B 68 4.451 4.367 -8.614 1.00 0.00 H new ATOM 2256 N LEU B 69 8.438 8.281 -6.565 1.00 0.00 N ATOM 2257 CA LEU B 69 8.700 9.310 -5.573 1.00 0.00 C ATOM 2258 C LEU B 69 9.555 10.412 -6.201 1.00 0.00 C ATOM 2259 O LEU B 69 9.310 11.591 -5.903 1.00 0.00 O ATOM 2260 CB LEU B 69 9.316 8.695 -4.315 1.00 0.00 C ATOM 2261 CG LEU B 69 8.448 7.677 -3.571 1.00 0.00 C ATOM 2262 CD1 LEU B 69 8.880 7.554 -2.109 1.00 0.00 C ATOM 2263 CD2 LEU B 69 6.964 8.021 -3.704 1.00 0.00 C ATOM 0 H LEU B 69 8.921 7.400 -6.392 1.00 0.00 H new ATOM 0 HA LEU B 69 7.768 9.775 -5.250 1.00 0.00 H new ATOM 0 HB2 LEU B 69 10.252 8.210 -4.593 1.00 0.00 H new ATOM 0 HB3 LEU B 69 9.567 9.501 -3.626 1.00 0.00 H new ATOM 0 HG LEU B 69 8.594 6.701 -4.033 1.00 0.00 H new ATOM 0 HD11 LEU B 69 8.248 6.825 -1.603 1.00 0.00 H new ATOM 0 HD12 LEU B 69 9.919 7.227 -2.063 1.00 0.00 H new ATOM 0 HD13 LEU B 69 8.782 8.522 -1.618 1.00 0.00 H new ATOM 0 HD21 LEU B 69 6.370 7.282 -3.166 1.00 0.00 H new ATOM 0 HD22 LEU B 69 6.781 9.010 -3.284 1.00 0.00 H new ATOM 0 HD23 LEU B 69 6.682 8.017 -4.757 1.00 0.00 H new ATOM 2275 N LYS B 70 10.525 10.015 -7.044 1.00 0.00 N ATOM 2276 CA LYS B 70 11.406 10.963 -7.705 1.00 0.00 C ATOM 2277 C LYS B 70 10.571 11.911 -8.570 1.00 0.00 C ATOM 2278 O LYS B 70 11.035 13.030 -8.835 1.00 0.00 O ATOM 2279 CB LYS B 70 12.501 10.227 -8.481 1.00 0.00 C ATOM 2280 CG LYS B 70 11.961 9.679 -9.803 1.00 0.00 C ATOM 2281 CD LYS B 70 12.732 10.258 -10.992 1.00 0.00 C ATOM 2282 CE LYS B 70 12.549 11.775 -11.077 1.00 0.00 C ATOM 2283 NZ LYS B 70 11.179 12.106 -11.502 1.00 0.00 N ATOM 0 H LYS B 70 10.710 9.039 -7.277 1.00 0.00 H new ATOM 0 HA LYS B 70 11.926 11.576 -6.969 1.00 0.00 H new ATOM 0 HB2 LYS B 70 13.332 10.905 -8.676 1.00 0.00 H new ATOM 0 HB3 LYS B 70 12.893 9.409 -7.877 1.00 0.00 H new ATOM 0 HG2 LYS B 70 12.039 8.592 -9.809 1.00 0.00 H new ATOM 0 HG3 LYS B 70 10.903 9.923 -9.897 1.00 0.00 H new ATOM 0 HD2 LYS B 70 13.791 10.021 -10.894 1.00 0.00 H new ATOM 0 HD3 LYS B 70 12.386 9.794 -11.915 1.00 0.00 H new ATOM 0 HE2 LYS B 70 12.754 12.227 -10.107 1.00 0.00 H new ATOM 0 HE3 LYS B 70 13.266 12.195 -11.782 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 10.781 12.824 -10.863 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 11.197 12.478 -12.473 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 10.589 11.250 -11.470 1.00 0.00 H new ATOM 2297 N GLU B 71 9.377 11.453 -8.984 1.00 0.00 N ATOM 2298 CA GLU B 71 8.489 12.254 -9.810 1.00 0.00 C ATOM 2299 C GLU B 71 7.707 13.222 -8.920 1.00 0.00 C ATOM 2300 O GLU B 71 7.192 14.221 -9.445 1.00 0.00 O ATOM 2301 CB GLU B 71 7.542 11.378 -10.632 1.00 0.00 C ATOM 2302 CG GLU B 71 8.095 9.958 -10.777 1.00 0.00 C ATOM 2303 CD GLU B 71 7.177 9.099 -11.649 1.00 0.00 C ATOM 2304 OE1 GLU B 71 5.954 9.297 -11.643 1.00 0.00 O ATOM 2305 OE2 GLU B 71 7.778 8.198 -12.350 1.00 0.00 O ATOM 0 H GLU B 71 9.014 10.528 -8.754 1.00 0.00 H new ATOM 0 HA GLU B 71 9.090 12.823 -10.519 1.00 0.00 H new ATOM 0 HB2 GLU B 71 6.564 11.344 -10.152 1.00 0.00 H new ATOM 0 HB3 GLU B 71 7.398 11.818 -11.619 1.00 0.00 H new ATOM 0 HG2 GLU B 71 9.091 9.995 -11.218 1.00 0.00 H new ATOM 0 HG3 GLU B 71 8.199 9.502 -9.792 1.00 0.00 H new ATOM 2312 N GLU B 72 7.635 12.914 -7.613 1.00 0.00 N ATOM 2313 CA GLU B 72 6.922 13.751 -6.662 1.00 0.00 C ATOM 2314 C GLU B 72 7.340 13.370 -5.240 1.00 0.00 C ATOM 2315 O GLU B 72 6.755 12.428 -4.686 1.00 0.00 O ATOM 2316 CB GLU B 72 5.408 13.636 -6.838 1.00 0.00 C ATOM 2317 CG GLU B 72 4.988 12.180 -7.049 1.00 0.00 C ATOM 2318 CD GLU B 72 3.677 11.876 -6.321 1.00 0.00 C ATOM 2319 OE1 GLU B 72 2.662 12.543 -6.569 1.00 0.00 O ATOM 2320 OE2 GLU B 72 3.736 10.905 -5.474 1.00 0.00 O ATOM 0 H GLU B 72 8.067 12.087 -7.201 1.00 0.00 H new ATOM 0 HA GLU B 72 7.185 14.793 -6.847 1.00 0.00 H new ATOM 0 HB2 GLU B 72 4.905 14.039 -5.959 1.00 0.00 H new ATOM 0 HB3 GLU B 72 5.091 14.237 -7.691 1.00 0.00 H new ATOM 0 HG2 GLU B 72 4.871 11.983 -8.115 1.00 0.00 H new ATOM 0 HG3 GLU B 72 5.772 11.515 -6.686 1.00 0.00 H new ATOM 2327 N SER B 73 8.327 14.097 -4.687 1.00 0.00 N ATOM 2328 CA SER B 73 8.816 13.836 -3.344 1.00 0.00 C ATOM 2329 C SER B 73 7.626 13.685 -2.394 1.00 0.00 C ATOM 2330 O SER B 73 7.388 12.603 -1.862 1.00 0.00 O ATOM 2331 CB SER B 73 9.744 14.952 -2.859 1.00 0.00 C ATOM 2332 OG SER B 73 9.045 16.177 -2.654 1.00 0.00 O ATOM 0 H SER B 73 8.795 14.870 -5.160 1.00 0.00 H new ATOM 0 HA SER B 73 9.395 12.913 -3.359 1.00 0.00 H new ATOM 0 HB2 SER B 73 10.222 14.647 -1.928 1.00 0.00 H new ATOM 0 HB3 SER B 73 10.538 15.106 -3.589 1.00 0.00 H new ATOM 0 HG SER B 73 9.672 16.863 -2.343 1.00 0.00 H new TER 2338 SER B 73