USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 704 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 LYS NZ :NH3+ 174:sc= 1.2 (180deg=0) USER MOD Set 1.2: A 88 GLN : amide:sc= 1 K(o=2.2,f=-3.5) USER MOD Set 2.1: A 9 CYS SG : rot 153:sc= 1.27 USER MOD Set 2.2: A 81 CYS SG : rot 79:sc= 1.66 USER MOD Set 3.1: A 11 ASN : amide:sc= -3.15! C(o=-3.8!,f=-6.5!) USER MOD Set 3.2: A 17 HIS : no HE2:sc= -1.36! C(o=-3.8!,f=-13!) USER MOD Set 3.3: A 36 SER OG : rot -150:sc= 0.691 USER MOD Single : A 1 MET CE :methyl -175:sc=-0.00212 (180deg=-0.0653) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0.707 (180deg=0.633) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 136:sc= 0.387 (180deg=0.0075) USER MOD Single : A 8 SER OG : rot -166:sc= 0.84 USER MOD Single : A 10 CYS SG : rot 180:sc= 0.0421 USER MOD Single : A 12 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0119) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= 1.99 K(o=2,f=-0.0076) USER MOD Single : A 20 MET CE :methyl 168:sc= -0.984 (180deg=-1.29) USER MOD Single : A 22 CYS SG : rot 74:sc= -1.38 USER MOD Single : A 29 LYS NZ :NH3+ 146:sc= 1.19 (180deg=0.624) USER MOD Single : A 30 MET CE :methyl -162:sc= 0 (180deg=-0.649) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -178:sc= 1.27 (180deg=1.15) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 51 ASN : amide:sc=-0.00803 X(o=-0.008,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 72:sc= -0.369 USER MOD Single : A 57 ASN : amide:sc= 2.08 K(o=2.1,f=-5.3!) USER MOD Single : A 60 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00553) USER MOD Single : A 62 HIS : no HD1:sc= -0.0888 X(o=-0.089,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 8:sc= 0.523 USER MOD Single : A 71 SER OG : rot 180:sc= 0.00869 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 160:sc= 1.3 USER MOD Single : A 80 GLN : amide:sc= 0.662 K(o=0.66,f=0) USER MOD Single : A 86 LYS NZ :NH3+ -167:sc= 1.13 (180deg=0.819) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.00665 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.675 -0.983 -0.788 1.00 0.00 N ATOM 2 CA MET A 1 3.289 -0.629 -2.086 1.00 0.00 C ATOM 3 C MET A 1 4.395 0.393 -1.842 1.00 0.00 C ATOM 4 O MET A 1 4.182 1.398 -1.159 1.00 0.00 O ATOM 5 CB MET A 1 2.260 -0.118 -3.114 1.00 0.00 C ATOM 6 CG MET A 1 2.900 0.092 -4.498 1.00 0.00 C ATOM 7 SD MET A 1 1.730 0.511 -5.817 1.00 0.00 S ATOM 8 CE MET A 1 2.877 0.502 -7.223 1.00 0.00 C ATOM 0 H1 MET A 1 2.040 -1.797 -0.915 1.00 0.00 H new ATOM 0 H2 MET A 1 3.421 -1.229 -0.106 1.00 0.00 H new ATOM 0 H3 MET A 1 2.131 -0.173 -0.429 1.00 0.00 H new ATOM 0 HA MET A 1 3.713 -1.532 -2.525 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.441 -0.832 -3.196 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.831 0.821 -2.764 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.642 0.887 -4.423 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.433 -0.817 -4.779 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.353 0.828 -8.122 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.706 1.180 -7.020 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.261 -0.507 -7.373 1.00 0.00 H new ATOM 20 N GLU A 2 5.581 0.139 -2.394 1.00 0.00 N ATOM 21 CA GLU A 2 6.763 0.972 -2.242 1.00 0.00 C ATOM 22 C GLU A 2 7.282 1.243 -3.654 1.00 0.00 C ATOM 23 O GLU A 2 6.989 0.476 -4.581 1.00 0.00 O ATOM 24 CB GLU A 2 7.816 0.261 -1.372 1.00 0.00 C ATOM 25 CG GLU A 2 7.319 -0.141 0.031 1.00 0.00 C ATOM 26 CD GLU A 2 6.519 -1.460 0.064 1.00 0.00 C ATOM 27 OE1 GLU A 2 7.114 -2.542 -0.147 1.00 0.00 O ATOM 28 OE2 GLU A 2 5.297 -1.433 0.339 1.00 0.00 O ATOM 0 H GLU A 2 5.746 -0.681 -2.978 1.00 0.00 H new ATOM 0 HA GLU A 2 6.533 1.909 -1.735 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.156 -0.634 -1.894 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.681 0.915 -1.264 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.178 -0.233 0.696 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.694 0.660 0.426 1.00 0.00 H new ATOM 35 N TRP A 3 8.044 2.319 -3.828 1.00 0.00 N ATOM 36 CA TRP A 3 8.429 2.822 -5.136 1.00 0.00 C ATOM 37 C TRP A 3 9.946 2.951 -5.198 1.00 0.00 C ATOM 38 O TRP A 3 10.616 2.968 -4.166 1.00 0.00 O ATOM 39 CB TRP A 3 7.748 4.176 -5.395 1.00 0.00 C ATOM 40 CG TRP A 3 6.256 4.216 -5.237 1.00 0.00 C ATOM 41 CD1 TRP A 3 5.597 4.430 -4.075 1.00 0.00 C ATOM 42 CD2 TRP A 3 5.218 4.061 -6.254 1.00 0.00 C ATOM 43 NE1 TRP A 3 4.235 4.410 -4.298 1.00 0.00 N ATOM 44 CE2 TRP A 3 3.942 4.205 -5.629 1.00 0.00 C ATOM 45 CE3 TRP A 3 5.222 3.824 -7.644 1.00 0.00 C ATOM 46 CZ2 TRP A 3 2.739 4.131 -6.350 1.00 0.00 C ATOM 47 CZ3 TRP A 3 4.024 3.747 -8.380 1.00 0.00 C ATOM 48 CH2 TRP A 3 2.783 3.903 -7.736 1.00 0.00 C ATOM 0 H TRP A 3 8.414 2.870 -3.054 1.00 0.00 H new ATOM 0 HA TRP A 3 8.106 2.127 -5.911 1.00 0.00 H new ATOM 0 HB2 TRP A 3 8.183 4.912 -4.718 1.00 0.00 H new ATOM 0 HB3 TRP A 3 7.992 4.492 -6.409 1.00 0.00 H new ATOM 0 HD1 TRP A 3 6.067 4.592 -3.116 1.00 0.00 H new ATOM 0 HE1 TRP A 3 3.533 4.532 -3.568 1.00 0.00 H new ATOM 0 HE3 TRP A 3 6.165 3.699 -8.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 1.791 4.248 -5.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 4.058 3.567 -9.444 1.00 0.00 H new ATOM 0 HH2 TRP A 3 1.867 3.848 -8.305 1.00 0.00 H new ATOM 59 N LEU A 4 10.481 3.085 -6.405 1.00 0.00 N ATOM 60 CA LEU A 4 11.894 3.254 -6.690 1.00 0.00 C ATOM 61 C LEU A 4 12.061 4.601 -7.372 1.00 0.00 C ATOM 62 O LEU A 4 11.373 4.904 -8.346 1.00 0.00 O ATOM 63 CB LEU A 4 12.357 2.114 -7.604 1.00 0.00 C ATOM 64 CG LEU A 4 13.829 2.156 -8.055 1.00 0.00 C ATOM 65 CD1 LEU A 4 14.801 1.914 -6.896 1.00 0.00 C ATOM 66 CD2 LEU A 4 14.058 1.075 -9.120 1.00 0.00 C ATOM 0 H LEU A 4 9.911 3.078 -7.251 1.00 0.00 H new ATOM 0 HA LEU A 4 12.495 3.226 -5.781 1.00 0.00 H new ATOM 0 HB2 LEU A 4 12.184 1.170 -7.088 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.727 2.111 -8.493 1.00 0.00 H new ATOM 0 HG LEU A 4 14.022 3.152 -8.453 1.00 0.00 H new ATOM 0 HD11 LEU A 4 15.826 1.954 -7.266 1.00 0.00 H new ATOM 0 HD12 LEU A 4 14.660 2.683 -6.136 1.00 0.00 H new ATOM 0 HD13 LEU A 4 14.610 0.933 -6.460 1.00 0.00 H new ATOM 0 HD21 LEU A 4 15.098 1.098 -9.444 1.00 0.00 H new ATOM 0 HD22 LEU A 4 13.831 0.096 -8.699 1.00 0.00 H new ATOM 0 HD23 LEU A 4 13.407 1.262 -9.974 1.00 0.00 H new ATOM 78 N VAL A 5 12.980 5.394 -6.847 1.00 0.00 N ATOM 79 CA VAL A 5 13.473 6.621 -7.452 1.00 0.00 C ATOM 80 C VAL A 5 14.429 6.154 -8.534 1.00 0.00 C ATOM 81 O VAL A 5 15.506 5.637 -8.194 1.00 0.00 O ATOM 82 CB VAL A 5 14.206 7.510 -6.424 1.00 0.00 C ATOM 83 CG1 VAL A 5 14.626 8.851 -7.040 1.00 0.00 C ATOM 84 CG2 VAL A 5 13.322 7.780 -5.196 1.00 0.00 C ATOM 0 H VAL A 5 13.422 5.192 -5.950 1.00 0.00 H new ATOM 0 HA VAL A 5 12.660 7.232 -7.844 1.00 0.00 H new ATOM 0 HB VAL A 5 15.098 6.965 -6.116 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.139 9.452 -6.289 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.296 8.671 -7.881 1.00 0.00 H new ATOM 0 HG13 VAL A 5 13.742 9.384 -7.389 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.864 8.408 -4.489 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.410 8.289 -5.509 1.00 0.00 H new ATOM 0 HG23 VAL A 5 13.064 6.835 -4.718 1.00 0.00 H new ATOM 94 N LYS A 6 14.015 6.334 -9.797 1.00 0.00 N ATOM 95 CA LYS A 6 14.798 6.048 -11.007 1.00 0.00 C ATOM 96 C LYS A 6 15.379 7.320 -11.635 1.00 0.00 C ATOM 97 O LYS A 6 16.338 7.219 -12.394 1.00 0.00 O ATOM 98 CB LYS A 6 13.922 5.331 -12.050 1.00 0.00 C ATOM 99 CG LYS A 6 13.819 3.815 -11.803 1.00 0.00 C ATOM 100 CD LYS A 6 14.808 2.976 -12.638 1.00 0.00 C ATOM 101 CE LYS A 6 16.268 3.453 -12.552 1.00 0.00 C ATOM 102 NZ LYS A 6 17.194 2.569 -13.307 1.00 0.00 N ATOM 0 H LYS A 6 13.087 6.698 -10.011 1.00 0.00 H new ATOM 0 HA LYS A 6 15.627 5.408 -10.705 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.922 5.765 -12.038 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.333 5.505 -13.044 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.993 3.617 -10.745 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.803 3.489 -12.026 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.756 1.939 -12.308 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.492 2.994 -13.681 1.00 0.00 H new ATOM 0 HE2 LYS A 6 16.340 4.469 -12.941 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.575 3.490 -11.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 18.166 2.929 -13.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 17.146 1.605 -12.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 16.919 2.553 -14.310 1.00 0.00 H new ATOM 116 N LYS A 7 14.838 8.500 -11.315 1.00 0.00 N ATOM 117 CA LYS A 7 15.386 9.812 -11.668 1.00 0.00 C ATOM 118 C LYS A 7 15.114 10.716 -10.473 1.00 0.00 C ATOM 119 O LYS A 7 14.120 10.495 -9.783 1.00 0.00 O ATOM 120 CB LYS A 7 14.749 10.408 -12.937 1.00 0.00 C ATOM 121 CG LYS A 7 14.866 9.491 -14.163 1.00 0.00 C ATOM 122 CD LYS A 7 14.533 10.244 -15.455 1.00 0.00 C ATOM 123 CE LYS A 7 14.323 9.242 -16.596 1.00 0.00 C ATOM 124 NZ LYS A 7 13.953 9.911 -17.869 1.00 0.00 N ATOM 0 H LYS A 7 13.971 8.569 -10.781 1.00 0.00 H new ATOM 0 HA LYS A 7 16.449 9.718 -11.890 1.00 0.00 H new ATOM 0 HB2 LYS A 7 13.696 10.613 -12.745 1.00 0.00 H new ATOM 0 HB3 LYS A 7 15.224 11.363 -13.160 1.00 0.00 H new ATOM 0 HG2 LYS A 7 15.877 9.089 -14.224 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.192 8.642 -14.050 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.635 10.845 -15.316 1.00 0.00 H new ATOM 0 HD3 LYS A 7 15.341 10.931 -15.706 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.236 8.665 -16.743 1.00 0.00 H new ATOM 0 HE3 LYS A 7 13.541 8.536 -16.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 14.493 9.490 -18.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 12.935 9.787 -18.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 14.172 10.926 -17.804 1.00 0.00 H new ATOM 138 N SER A 8 15.954 11.718 -10.240 1.00 0.00 N ATOM 139 CA SER A 8 15.788 12.734 -9.209 1.00 0.00 C ATOM 140 C SER A 8 16.468 13.999 -9.737 1.00 0.00 C ATOM 141 O SER A 8 17.427 13.912 -10.512 1.00 0.00 O ATOM 142 CB SER A 8 16.441 12.262 -7.902 1.00 0.00 C ATOM 143 OG SER A 8 16.088 13.114 -6.829 1.00 0.00 O ATOM 0 H SER A 8 16.804 11.849 -10.788 1.00 0.00 H new ATOM 0 HA SER A 8 14.737 12.924 -8.994 1.00 0.00 H new ATOM 0 HB2 SER A 8 16.127 11.242 -7.681 1.00 0.00 H new ATOM 0 HB3 SER A 8 17.525 12.244 -8.017 1.00 0.00 H new ATOM 0 HG SER A 8 16.674 12.936 -6.064 1.00 0.00 H new ATOM 149 N CYS A 9 15.986 15.162 -9.305 1.00 0.00 N ATOM 150 CA CYS A 9 16.427 16.474 -9.751 1.00 0.00 C ATOM 151 C CYS A 9 16.639 17.325 -8.502 1.00 0.00 C ATOM 152 O CYS A 9 15.683 17.897 -7.975 1.00 0.00 O ATOM 153 CB CYS A 9 15.382 17.078 -10.704 1.00 0.00 C ATOM 154 SG CYS A 9 15.264 16.077 -12.219 1.00 0.00 S ATOM 0 H CYS A 9 15.246 15.214 -8.605 1.00 0.00 H new ATOM 0 HA CYS A 9 17.361 16.421 -10.310 1.00 0.00 H new ATOM 0 HB2 CYS A 9 14.411 17.121 -10.211 1.00 0.00 H new ATOM 0 HB3 CYS A 9 15.657 18.102 -10.956 1.00 0.00 H new ATOM 0 HG CYS A 9 14.078 16.209 -12.735 1.00 0.00 H new ATOM 160 N CYS A 10 17.879 17.336 -7.998 1.00 0.00 N ATOM 161 CA CYS A 10 18.289 18.038 -6.784 1.00 0.00 C ATOM 162 C CYS A 10 17.995 19.544 -6.879 1.00 0.00 C ATOM 163 O CYS A 10 18.005 20.116 -7.973 1.00 0.00 O ATOM 164 CB CYS A 10 19.786 17.803 -6.537 1.00 0.00 C ATOM 165 SG CYS A 10 20.148 16.021 -6.455 1.00 0.00 S ATOM 0 H CYS A 10 18.649 16.837 -8.443 1.00 0.00 H new ATOM 0 HA CYS A 10 17.714 17.642 -5.947 1.00 0.00 H new ATOM 0 HB2 CYS A 10 20.369 18.262 -7.336 1.00 0.00 H new ATOM 0 HB3 CYS A 10 20.087 18.284 -5.606 1.00 0.00 H new ATOM 0 HG CYS A 10 21.419 15.846 -6.248 1.00 0.00 H new ATOM 171 N ASN A 11 17.767 20.193 -5.733 1.00 0.00 N ATOM 172 CA ASN A 11 17.371 21.599 -5.646 1.00 0.00 C ATOM 173 C ASN A 11 17.807 22.215 -4.317 1.00 0.00 C ATOM 174 O ASN A 11 18.011 21.512 -3.326 1.00 0.00 O ATOM 175 CB ASN A 11 15.839 21.730 -5.797 1.00 0.00 C ATOM 176 CG ASN A 11 15.104 22.037 -4.494 1.00 0.00 C ATOM 177 OD1 ASN A 11 14.780 23.191 -4.219 1.00 0.00 O ATOM 178 ND2 ASN A 11 14.883 21.036 -3.657 1.00 0.00 N ATOM 0 H ASN A 11 17.855 19.744 -4.821 1.00 0.00 H new ATOM 0 HA ASN A 11 17.866 22.136 -6.455 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.623 22.519 -6.517 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.446 20.802 -6.213 1.00 0.00 H new ATOM 0 HD21 ASN A 11 14.434 21.212 -2.758 1.00 0.00 H new ATOM 0 HD22 ASN A 11 15.162 20.088 -3.910 1.00 0.00 H new ATOM 185 N LYS A 12 17.872 23.548 -4.310 1.00 0.00 N ATOM 186 CA LYS A 12 17.977 24.374 -3.106 1.00 0.00 C ATOM 187 C LYS A 12 17.297 25.738 -3.298 1.00 0.00 C ATOM 188 O LYS A 12 17.386 26.593 -2.418 1.00 0.00 O ATOM 189 CB LYS A 12 19.433 24.448 -2.598 1.00 0.00 C ATOM 190 CG LYS A 12 20.519 24.828 -3.619 1.00 0.00 C ATOM 191 CD LYS A 12 20.331 26.233 -4.204 1.00 0.00 C ATOM 192 CE LYS A 12 21.494 26.665 -5.111 1.00 0.00 C ATOM 193 NZ LYS A 12 22.759 26.901 -4.368 1.00 0.00 N ATOM 0 H LYS A 12 17.852 24.099 -5.168 1.00 0.00 H new ATOM 0 HA LYS A 12 17.420 23.891 -2.303 1.00 0.00 H new ATOM 0 HB2 LYS A 12 19.469 25.171 -1.783 1.00 0.00 H new ATOM 0 HB3 LYS A 12 19.692 23.477 -2.175 1.00 0.00 H new ATOM 0 HG2 LYS A 12 21.496 24.768 -3.140 1.00 0.00 H new ATOM 0 HG3 LYS A 12 20.517 24.100 -4.430 1.00 0.00 H new ATOM 0 HD2 LYS A 12 19.402 26.262 -4.774 1.00 0.00 H new ATOM 0 HD3 LYS A 12 20.227 26.949 -3.389 1.00 0.00 H new ATOM 0 HE2 LYS A 12 21.662 25.897 -5.866 1.00 0.00 H new ATOM 0 HE3 LYS A 12 21.215 27.577 -5.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 23.495 27.222 -5.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 22.604 27.629 -3.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 23.064 26.017 -3.913 1.00 0.00 H new ATOM 207 N GLN A 13 16.646 25.961 -4.449 1.00 0.00 N ATOM 208 CA GLN A 13 16.044 27.248 -4.786 1.00 0.00 C ATOM 209 C GLN A 13 14.611 27.336 -4.260 1.00 0.00 C ATOM 210 O GLN A 13 14.150 28.445 -3.983 1.00 0.00 O ATOM 211 CB GLN A 13 16.066 27.479 -6.308 1.00 0.00 C ATOM 212 CG GLN A 13 17.493 27.577 -6.872 1.00 0.00 C ATOM 213 CD GLN A 13 17.497 28.044 -8.331 1.00 0.00 C ATOM 214 OE1 GLN A 13 17.138 29.179 -8.639 1.00 0.00 O ATOM 215 NE2 GLN A 13 17.907 27.197 -9.263 1.00 0.00 N ATOM 0 H GLN A 13 16.525 25.249 -5.170 1.00 0.00 H new ATOM 0 HA GLN A 13 16.635 28.028 -4.307 1.00 0.00 H new ATOM 0 HB2 GLN A 13 15.539 26.663 -6.803 1.00 0.00 H new ATOM 0 HB3 GLN A 13 15.524 28.396 -6.540 1.00 0.00 H new ATOM 0 HG2 GLN A 13 18.076 28.271 -6.267 1.00 0.00 H new ATOM 0 HG3 GLN A 13 17.980 26.604 -6.800 1.00 0.00 H new ATOM 0 HE21 GLN A 13 18.204 26.257 -9.002 1.00 0.00 H new ATOM 0 HE22 GLN A 13 17.926 27.485 -10.241 1.00 0.00 H new ATOM 224 N ASP A 14 13.904 26.205 -4.105 1.00 0.00 N ATOM 225 CA ASP A 14 12.477 26.230 -3.733 1.00 0.00 C ATOM 226 C ASP A 14 12.091 25.151 -2.713 1.00 0.00 C ATOM 227 O ASP A 14 10.939 25.061 -2.300 1.00 0.00 O ATOM 228 CB ASP A 14 11.621 26.111 -5.003 1.00 0.00 C ATOM 229 CG ASP A 14 10.152 26.477 -4.742 1.00 0.00 C ATOM 230 OD1 ASP A 14 9.872 27.659 -4.439 1.00 0.00 O ATOM 231 OD2 ASP A 14 9.267 25.620 -4.950 1.00 0.00 O ATOM 0 H ASP A 14 14.291 25.270 -4.230 1.00 0.00 H new ATOM 0 HA ASP A 14 12.287 27.183 -3.238 1.00 0.00 H new ATOM 0 HB2 ASP A 14 12.026 26.764 -5.776 1.00 0.00 H new ATOM 0 HB3 ASP A 14 11.679 25.092 -5.385 1.00 0.00 H new ATOM 236 N ASN A 15 13.048 24.301 -2.324 1.00 0.00 N ATOM 237 CA ASN A 15 12.904 23.077 -1.534 1.00 0.00 C ATOM 238 C ASN A 15 12.170 21.972 -2.312 1.00 0.00 C ATOM 239 O ASN A 15 12.310 20.800 -1.967 1.00 0.00 O ATOM 240 CB ASN A 15 12.296 23.349 -0.142 1.00 0.00 C ATOM 241 CG ASN A 15 12.800 22.410 0.960 1.00 0.00 C ATOM 242 OD1 ASN A 15 13.038 22.847 2.082 1.00 0.00 O ATOM 243 ND2 ASN A 15 12.984 21.128 0.697 1.00 0.00 N ATOM 0 H ASN A 15 14.023 24.467 -2.575 1.00 0.00 H new ATOM 0 HA ASN A 15 13.908 22.695 -1.348 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.517 24.377 0.144 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.211 23.263 -0.209 1.00 0.00 H new ATOM 0 HD21 ASN A 15 13.324 20.501 1.427 1.00 0.00 H new ATOM 0 HD22 ASN A 15 12.786 20.765 -0.236 1.00 0.00 H new ATOM 250 N ARG A 16 11.463 22.305 -3.394 1.00 0.00 N ATOM 251 CA ARG A 16 10.820 21.345 -4.287 1.00 0.00 C ATOM 252 C ARG A 16 11.850 20.488 -5.011 1.00 0.00 C ATOM 253 O ARG A 16 12.644 21.012 -5.790 1.00 0.00 O ATOM 254 CB ARG A 16 9.971 22.059 -5.351 1.00 0.00 C ATOM 255 CG ARG A 16 8.581 22.431 -4.838 1.00 0.00 C ATOM 256 CD ARG A 16 7.748 22.993 -5.995 1.00 0.00 C ATOM 257 NE ARG A 16 6.338 23.155 -5.624 1.00 0.00 N ATOM 258 CZ ARG A 16 5.800 24.188 -4.968 1.00 0.00 C ATOM 259 NH1 ARG A 16 6.554 25.209 -4.562 1.00 0.00 N ATOM 260 NH2 ARG A 16 4.495 24.186 -4.719 1.00 0.00 N ATOM 0 H ARG A 16 11.320 23.274 -3.678 1.00 0.00 H new ATOM 0 HA ARG A 16 10.186 20.716 -3.662 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.488 22.961 -5.678 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.872 21.415 -6.224 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.091 21.555 -4.414 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.661 23.169 -4.040 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.156 23.956 -6.302 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.823 22.326 -6.854 1.00 0.00 H new ATOM 0 HE ARG A 16 5.704 22.403 -5.894 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.556 25.209 -4.751 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.129 25.990 -4.063 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.918 23.403 -5.027 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.070 24.967 -4.219 1.00 0.00 H new ATOM 274 N HIS A 17 11.786 19.180 -4.806 1.00 0.00 N ATOM 275 CA HIS A 17 12.488 18.200 -5.615 1.00 0.00 C ATOM 276 C HIS A 17 11.457 17.588 -6.554 1.00 0.00 C ATOM 277 O HIS A 17 10.253 17.629 -6.291 1.00 0.00 O ATOM 278 CB HIS A 17 13.106 17.110 -4.726 1.00 0.00 C ATOM 279 CG HIS A 17 14.356 17.554 -4.025 1.00 0.00 C ATOM 280 ND1 HIS A 17 14.640 17.447 -2.686 1.00 0.00 N ATOM 281 CD2 HIS A 17 15.444 18.115 -4.624 1.00 0.00 C ATOM 282 CE1 HIS A 17 15.870 17.946 -2.481 1.00 0.00 C ATOM 283 NE2 HIS A 17 16.398 18.389 -3.640 1.00 0.00 N ATOM 0 H HIS A 17 11.233 18.764 -4.057 1.00 0.00 H new ATOM 0 HA HIS A 17 13.300 18.667 -6.171 1.00 0.00 H new ATOM 0 HB2 HIS A 17 12.372 16.798 -3.983 1.00 0.00 H new ATOM 0 HB3 HIS A 17 13.332 16.237 -5.338 1.00 0.00 H new ATOM 0 HD1 HIS A 17 14.025 17.057 -1.972 1.00 0.00 H new ATOM 0 HD2 HIS A 17 15.551 18.314 -5.680 1.00 0.00 H new ATOM 0 HE1 HIS A 17 16.366 17.987 -1.523 1.00 0.00 H new ATOM 291 N VAL A 18 11.921 16.963 -7.629 1.00 0.00 N ATOM 292 CA VAL A 18 11.070 16.144 -8.479 1.00 0.00 C ATOM 293 C VAL A 18 11.870 14.896 -8.786 1.00 0.00 C ATOM 294 O VAL A 18 13.094 14.945 -8.938 1.00 0.00 O ATOM 295 CB VAL A 18 10.634 16.878 -9.762 1.00 0.00 C ATOM 296 CG1 VAL A 18 9.453 16.187 -10.463 1.00 0.00 C ATOM 297 CG2 VAL A 18 10.232 18.334 -9.488 1.00 0.00 C ATOM 0 H VAL A 18 12.893 17.010 -7.934 1.00 0.00 H new ATOM 0 HA VAL A 18 10.136 15.902 -7.972 1.00 0.00 H new ATOM 0 HB VAL A 18 11.509 16.851 -10.412 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.186 16.745 -11.361 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.737 15.171 -10.738 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.598 16.155 -9.788 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.932 18.811 -10.421 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.399 18.355 -8.786 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.079 18.871 -9.062 1.00 0.00 H new ATOM 307 N LEU A 19 11.162 13.777 -8.806 1.00 0.00 N ATOM 308 CA LEU A 19 11.734 12.462 -9.032 1.00 0.00 C ATOM 309 C LEU A 19 10.782 11.654 -9.905 1.00 0.00 C ATOM 310 O LEU A 19 9.630 12.050 -10.111 1.00 0.00 O ATOM 311 CB LEU A 19 12.102 11.713 -7.723 1.00 0.00 C ATOM 312 CG LEU A 19 11.675 12.241 -6.334 1.00 0.00 C ATOM 313 CD1 LEU A 19 11.987 11.151 -5.307 1.00 0.00 C ATOM 314 CD2 LEU A 19 12.440 13.506 -5.913 1.00 0.00 C ATOM 0 H LEU A 19 10.152 13.759 -8.662 1.00 0.00 H new ATOM 0 HA LEU A 19 12.684 12.592 -9.550 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.700 10.704 -7.814 1.00 0.00 H new ATOM 0 HB3 LEU A 19 13.188 11.623 -7.706 1.00 0.00 H new ATOM 0 HG LEU A 19 10.615 12.491 -6.385 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.697 11.493 -4.314 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.432 10.247 -5.556 1.00 0.00 H new ATOM 0 HD13 LEU A 19 13.055 10.935 -5.319 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.097 13.829 -4.930 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.507 13.289 -5.871 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.259 14.299 -6.639 1.00 0.00 H new ATOM 326 N MET A 20 11.253 10.509 -10.402 1.00 0.00 N ATOM 327 CA MET A 20 10.408 9.553 -11.095 1.00 0.00 C ATOM 328 C MET A 20 10.227 8.368 -10.173 1.00 0.00 C ATOM 329 O MET A 20 11.200 7.701 -9.812 1.00 0.00 O ATOM 330 CB MET A 20 10.962 9.153 -12.464 1.00 0.00 C ATOM 331 CG MET A 20 10.553 10.210 -13.495 1.00 0.00 C ATOM 332 SD MET A 20 11.013 9.868 -15.217 1.00 0.00 S ATOM 333 CE MET A 20 10.211 8.265 -15.476 1.00 0.00 C ATOM 0 H MET A 20 12.230 10.225 -10.332 1.00 0.00 H new ATOM 0 HA MET A 20 9.442 10.006 -11.320 1.00 0.00 H new ATOM 0 HB2 MET A 20 12.048 9.069 -12.421 1.00 0.00 H new ATOM 0 HB3 MET A 20 10.578 8.175 -12.755 1.00 0.00 H new ATOM 0 HG2 MET A 20 9.471 10.335 -13.447 1.00 0.00 H new ATOM 0 HG3 MET A 20 10.997 11.162 -13.204 1.00 0.00 H new ATOM 0 HE1 MET A 20 10.219 8.022 -16.538 1.00 0.00 H new ATOM 0 HE2 MET A 20 10.750 7.495 -14.924 1.00 0.00 H new ATOM 0 HE3 MET A 20 9.181 8.312 -15.122 1.00 0.00 H new ATOM 343 N LEU A 21 8.974 8.171 -9.771 1.00 0.00 N ATOM 344 CA LEU A 21 8.550 7.129 -8.851 1.00 0.00 C ATOM 345 C LEU A 21 8.118 5.959 -9.692 1.00 0.00 C ATOM 346 O LEU A 21 7.260 6.094 -10.560 1.00 0.00 O ATOM 347 CB LEU A 21 7.369 7.588 -7.981 1.00 0.00 C ATOM 348 CG LEU A 21 7.857 8.084 -6.618 1.00 0.00 C ATOM 349 CD1 LEU A 21 8.796 9.291 -6.765 1.00 0.00 C ATOM 350 CD2 LEU A 21 6.652 8.426 -5.736 1.00 0.00 C ATOM 0 H LEU A 21 8.202 8.755 -10.091 1.00 0.00 H new ATOM 0 HA LEU A 21 9.370 6.874 -8.179 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.825 8.384 -8.489 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.671 6.763 -7.844 1.00 0.00 H new ATOM 0 HG LEU A 21 8.431 7.289 -6.141 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.125 9.619 -5.779 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.664 9.007 -7.361 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.267 10.105 -7.260 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.000 8.779 -4.765 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.060 9.206 -6.215 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.037 7.536 -5.599 1.00 0.00 H new ATOM 362 N CYS A 22 8.709 4.811 -9.425 1.00 0.00 N ATOM 363 CA CYS A 22 8.592 3.650 -10.281 1.00 0.00 C ATOM 364 C CYS A 22 8.303 2.424 -9.434 1.00 0.00 C ATOM 365 O CYS A 22 8.458 2.460 -8.216 1.00 0.00 O ATOM 366 CB CYS A 22 9.902 3.490 -11.066 1.00 0.00 C ATOM 367 SG CYS A 22 10.338 5.053 -11.892 1.00 0.00 S ATOM 0 H CYS A 22 9.289 4.658 -8.600 1.00 0.00 H new ATOM 0 HA CYS A 22 7.770 3.771 -10.987 1.00 0.00 H new ATOM 0 HB2 CYS A 22 10.704 3.191 -10.391 1.00 0.00 H new ATOM 0 HB3 CYS A 22 9.796 2.697 -11.806 1.00 0.00 H new ATOM 0 HG CYS A 22 10.769 5.905 -11.009 1.00 0.00 H new ATOM 373 N ASP A 23 7.877 1.342 -10.072 1.00 0.00 N ATOM 374 CA ASP A 23 7.804 0.025 -9.445 1.00 0.00 C ATOM 375 C ASP A 23 9.164 -0.294 -8.806 1.00 0.00 C ATOM 376 O ASP A 23 10.195 0.151 -9.318 1.00 0.00 O ATOM 377 CB ASP A 23 7.424 -1.000 -10.528 1.00 0.00 C ATOM 378 CG ASP A 23 7.987 -2.401 -10.252 1.00 0.00 C ATOM 379 OD1 ASP A 23 7.404 -3.137 -9.425 1.00 0.00 O ATOM 380 OD2 ASP A 23 9.013 -2.743 -10.877 1.00 0.00 O ATOM 0 H ASP A 23 7.570 1.351 -11.045 1.00 0.00 H new ATOM 0 HA ASP A 23 7.049 -0.006 -8.659 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.338 -1.059 -10.600 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.789 -0.652 -11.494 1.00 0.00 H new ATOM 385 N ALA A 24 9.182 -1.048 -7.701 1.00 0.00 N ATOM 386 CA ALA A 24 10.396 -1.557 -7.062 1.00 0.00 C ATOM 387 C ALA A 24 11.113 -2.569 -7.981 1.00 0.00 C ATOM 388 O ALA A 24 11.069 -3.781 -7.753 1.00 0.00 O ATOM 389 CB ALA A 24 10.048 -2.135 -5.683 1.00 0.00 C ATOM 0 H ALA A 24 8.329 -1.327 -7.216 1.00 0.00 H new ATOM 0 HA ALA A 24 11.101 -0.741 -6.903 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.953 -2.514 -5.208 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.611 -1.354 -5.061 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.332 -2.948 -5.800 1.00 0.00 H new ATOM 395 N GLY A 25 11.737 -2.062 -9.046 1.00 0.00 N ATOM 396 CA GLY A 25 12.287 -2.834 -10.157 1.00 0.00 C ATOM 397 C GLY A 25 12.283 -2.054 -11.478 1.00 0.00 C ATOM 398 O GLY A 25 12.996 -2.421 -12.413 1.00 0.00 O ATOM 0 H GLY A 25 11.878 -1.058 -9.161 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.308 -3.131 -9.918 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.709 -3.750 -10.279 1.00 0.00 H new ATOM 402 N GLY A 26 11.510 -0.967 -11.552 1.00 0.00 N ATOM 403 CA GLY A 26 11.439 -0.052 -12.682 1.00 0.00 C ATOM 404 C GLY A 26 10.420 -0.457 -13.751 1.00 0.00 C ATOM 405 O GLY A 26 10.400 0.176 -14.808 1.00 0.00 O ATOM 0 H GLY A 26 10.891 -0.693 -10.789 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.188 0.943 -12.315 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.425 0.017 -13.142 1.00 0.00 H new ATOM 409 N ALA A 27 9.590 -1.486 -13.527 1.00 0.00 N ATOM 410 CA ALA A 27 8.718 -2.044 -14.566 1.00 0.00 C ATOM 411 C ALA A 27 7.588 -1.094 -15.001 1.00 0.00 C ATOM 412 O ALA A 27 7.024 -1.264 -16.083 1.00 0.00 O ATOM 413 CB ALA A 27 8.120 -3.366 -14.071 1.00 0.00 C ATOM 0 H ALA A 27 9.506 -1.952 -12.624 1.00 0.00 H new ATOM 0 HA ALA A 27 9.341 -2.203 -15.446 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.471 -3.783 -14.841 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.923 -4.070 -13.853 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.540 -3.187 -13.166 1.00 0.00 H new ATOM 419 N ILE A 28 7.246 -0.110 -14.166 1.00 0.00 N ATOM 420 CA ILE A 28 6.203 0.896 -14.363 1.00 0.00 C ATOM 421 C ILE A 28 6.813 2.182 -13.801 1.00 0.00 C ATOM 422 O ILE A 28 7.573 2.102 -12.831 1.00 0.00 O ATOM 423 CB ILE A 28 4.907 0.486 -13.610 1.00 0.00 C ATOM 424 CG1 ILE A 28 4.376 -0.886 -14.095 1.00 0.00 C ATOM 425 CG2 ILE A 28 3.814 1.567 -13.752 1.00 0.00 C ATOM 426 CD1 ILE A 28 3.099 -1.368 -13.397 1.00 0.00 C ATOM 0 H ILE A 28 7.724 0.012 -13.273 1.00 0.00 H new ATOM 0 HA ILE A 28 5.909 1.014 -15.406 1.00 0.00 H new ATOM 0 HB ILE A 28 5.164 0.393 -12.555 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.187 -0.828 -15.167 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.156 -1.633 -13.949 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.919 1.252 -13.215 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.176 2.507 -13.335 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.574 1.706 -14.806 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.805 -2.336 -13.804 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.284 -1.465 -12.327 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.299 -0.647 -13.563 1.00 0.00 H new ATOM 438 N LYS A 29 6.509 3.351 -14.379 1.00 0.00 N ATOM 439 CA LYS A 29 7.135 4.617 -13.995 1.00 0.00 C ATOM 440 C LYS A 29 6.107 5.748 -13.967 1.00 0.00 C ATOM 441 O LYS A 29 5.173 5.777 -14.772 1.00 0.00 O ATOM 442 CB LYS A 29 8.298 4.963 -14.947 1.00 0.00 C ATOM 443 CG LYS A 29 9.384 3.869 -15.029 1.00 0.00 C ATOM 444 CD LYS A 29 10.713 4.424 -15.565 1.00 0.00 C ATOM 445 CE LYS A 29 11.895 3.450 -15.420 1.00 0.00 C ATOM 446 NZ LYS A 29 11.739 2.215 -16.232 1.00 0.00 N ATOM 0 H LYS A 29 5.821 3.443 -15.126 1.00 0.00 H new ATOM 0 HA LYS A 29 7.539 4.501 -12.989 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.898 5.140 -15.945 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.759 5.895 -14.619 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.542 3.439 -14.040 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.039 3.062 -15.676 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.591 4.679 -16.618 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.949 5.348 -15.038 1.00 0.00 H new ATOM 0 HE2 LYS A 29 12.814 3.957 -15.715 1.00 0.00 H new ATOM 0 HE3 LYS A 29 12.005 3.176 -14.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.672 1.901 -16.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.311 1.468 -15.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.125 2.411 -17.048 1.00 0.00 H new ATOM 460 N MET A 30 6.305 6.696 -13.058 1.00 0.00 N ATOM 461 CA MET A 30 5.495 7.881 -12.804 1.00 0.00 C ATOM 462 C MET A 30 6.452 9.030 -12.473 1.00 0.00 C ATOM 463 O MET A 30 7.657 8.819 -12.337 1.00 0.00 O ATOM 464 CB MET A 30 4.525 7.657 -11.627 1.00 0.00 C ATOM 465 CG MET A 30 3.656 6.399 -11.735 1.00 0.00 C ATOM 466 SD MET A 30 2.100 6.451 -10.797 1.00 0.00 S ATOM 467 CE MET A 30 2.667 7.076 -9.189 1.00 0.00 C ATOM 0 H MET A 30 7.105 6.651 -12.426 1.00 0.00 H new ATOM 0 HA MET A 30 4.893 8.108 -13.684 1.00 0.00 H new ATOM 0 HB2 MET A 30 5.103 7.603 -10.704 1.00 0.00 H new ATOM 0 HB3 MET A 30 3.872 8.526 -11.544 1.00 0.00 H new ATOM 0 HG2 MET A 30 3.423 6.227 -12.786 1.00 0.00 H new ATOM 0 HG3 MET A 30 4.239 5.544 -11.394 1.00 0.00 H new ATOM 0 HE1 MET A 30 1.914 6.863 -8.430 1.00 0.00 H new ATOM 0 HE2 MET A 30 3.603 6.588 -8.918 1.00 0.00 H new ATOM 0 HE3 MET A 30 2.824 8.153 -9.252 1.00 0.00 H new ATOM 477 N ILE A 31 5.928 10.240 -12.309 1.00 0.00 N ATOM 478 CA ILE A 31 6.659 11.444 -11.926 1.00 0.00 C ATOM 479 C ILE A 31 6.016 11.913 -10.623 1.00 0.00 C ATOM 480 O ILE A 31 4.791 11.829 -10.498 1.00 0.00 O ATOM 481 CB ILE A 31 6.533 12.512 -13.024 1.00 0.00 C ATOM 482 CG1 ILE A 31 7.039 12.006 -14.392 1.00 0.00 C ATOM 483 CG2 ILE A 31 7.309 13.798 -12.678 1.00 0.00 C ATOM 484 CD1 ILE A 31 6.161 12.604 -15.482 1.00 0.00 C ATOM 0 H ILE A 31 4.933 10.417 -12.446 1.00 0.00 H new ATOM 0 HA ILE A 31 7.725 11.256 -11.795 1.00 0.00 H new ATOM 0 HB ILE A 31 5.467 12.732 -13.086 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.079 12.295 -14.542 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.002 10.917 -14.431 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.190 14.523 -13.483 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.920 14.219 -11.751 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.366 13.563 -12.555 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.504 12.257 -16.457 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.128 12.292 -15.329 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.221 13.692 -15.442 1.00 0.00 H new ATOM 496 N ALA A 32 6.800 12.434 -9.678 1.00 0.00 N ATOM 497 CA ALA A 32 6.277 13.051 -8.470 1.00 0.00 C ATOM 498 C ALA A 32 7.108 14.278 -8.125 1.00 0.00 C ATOM 499 O ALA A 32 8.339 14.229 -8.135 1.00 0.00 O ATOM 500 CB ALA A 32 6.316 12.069 -7.300 1.00 0.00 C ATOM 0 H ALA A 32 7.818 12.437 -9.734 1.00 0.00 H new ATOM 0 HA ALA A 32 5.242 13.341 -8.650 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.920 12.552 -6.406 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.711 11.195 -7.539 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.345 11.759 -7.119 1.00 0.00 H new ATOM 506 N GLU A 33 6.422 15.364 -7.791 1.00 0.00 N ATOM 507 CA GLU A 33 7.001 16.557 -7.209 1.00 0.00 C ATOM 508 C GLU A 33 6.867 16.379 -5.696 1.00 0.00 C ATOM 509 O GLU A 33 5.804 15.984 -5.200 1.00 0.00 O ATOM 510 CB GLU A 33 6.195 17.776 -7.694 1.00 0.00 C ATOM 511 CG GLU A 33 6.765 19.128 -7.251 1.00 0.00 C ATOM 512 CD GLU A 33 5.808 20.282 -7.608 1.00 0.00 C ATOM 513 OE1 GLU A 33 5.720 20.651 -8.801 1.00 0.00 O ATOM 514 OE2 GLU A 33 5.171 20.849 -6.690 1.00 0.00 O ATOM 0 H GLU A 33 5.413 15.436 -7.925 1.00 0.00 H new ATOM 0 HA GLU A 33 8.043 16.710 -7.490 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.147 17.755 -8.783 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.172 17.689 -7.328 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.939 19.117 -6.175 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.731 19.292 -7.729 1.00 0.00 H new ATOM 521 N VAL A 34 7.936 16.652 -4.956 1.00 0.00 N ATOM 522 CA VAL A 34 8.022 16.393 -3.529 1.00 0.00 C ATOM 523 C VAL A 34 8.776 17.550 -2.865 1.00 0.00 C ATOM 524 O VAL A 34 9.373 18.392 -3.534 1.00 0.00 O ATOM 525 CB VAL A 34 8.684 15.010 -3.264 1.00 0.00 C ATOM 526 CG1 VAL A 34 8.043 13.855 -4.058 1.00 0.00 C ATOM 527 CG2 VAL A 34 10.189 14.987 -3.563 1.00 0.00 C ATOM 0 H VAL A 34 8.783 17.068 -5.343 1.00 0.00 H new ATOM 0 HA VAL A 34 7.026 16.341 -3.090 1.00 0.00 H new ATOM 0 HB VAL A 34 8.515 14.859 -2.198 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.556 12.923 -3.822 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.991 13.768 -3.788 1.00 0.00 H new ATOM 0 HG13 VAL A 34 8.128 14.056 -5.126 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.586 13.993 -3.356 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.355 15.234 -4.612 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.696 15.718 -2.934 1.00 0.00 H new ATOM 537 N LYS A 35 8.782 17.582 -1.539 1.00 0.00 N ATOM 538 CA LYS A 35 9.641 18.428 -0.723 1.00 0.00 C ATOM 539 C LYS A 35 10.429 17.461 0.158 1.00 0.00 C ATOM 540 O LYS A 35 10.047 16.293 0.288 1.00 0.00 O ATOM 541 CB LYS A 35 8.793 19.437 0.072 1.00 0.00 C ATOM 542 CG LYS A 35 9.626 20.640 0.544 1.00 0.00 C ATOM 543 CD LYS A 35 8.801 21.697 1.293 1.00 0.00 C ATOM 544 CE LYS A 35 7.807 22.429 0.376 1.00 0.00 C ATOM 545 NZ LYS A 35 7.063 23.495 1.096 1.00 0.00 N ATOM 0 H LYS A 35 8.163 16.995 -0.980 1.00 0.00 H new ATOM 0 HA LYS A 35 10.327 19.041 -1.308 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.969 19.788 -0.549 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.352 18.940 0.936 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.426 20.286 1.195 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.100 21.105 -0.320 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.255 21.218 2.106 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.475 22.424 1.747 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.345 22.867 -0.464 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.100 21.710 -0.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.405 23.962 0.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.528 23.074 1.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.735 24.196 1.470 1.00 0.00 H new ATOM 559 N SER A 36 11.538 17.898 0.735 1.00 0.00 N ATOM 560 CA SER A 36 12.464 16.997 1.415 1.00 0.00 C ATOM 561 C SER A 36 13.200 17.737 2.526 1.00 0.00 C ATOM 562 O SER A 36 13.417 18.946 2.427 1.00 0.00 O ATOM 563 CB SER A 36 13.475 16.427 0.404 1.00 0.00 C ATOM 564 OG SER A 36 12.880 16.124 -0.851 1.00 0.00 O ATOM 0 H SER A 36 11.822 18.877 0.747 1.00 0.00 H new ATOM 0 HA SER A 36 11.898 16.177 1.856 1.00 0.00 H new ATOM 0 HB2 SER A 36 14.280 17.146 0.256 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.926 15.524 0.816 1.00 0.00 H new ATOM 0 HG SER A 36 13.359 15.378 -1.268 1.00 0.00 H new ATOM 570 N ASP A 37 13.635 16.995 3.545 1.00 0.00 N ATOM 571 CA ASP A 37 14.520 17.496 4.605 1.00 0.00 C ATOM 572 C ASP A 37 15.864 16.744 4.598 1.00 0.00 C ATOM 573 O ASP A 37 16.711 16.936 5.471 1.00 0.00 O ATOM 574 CB ASP A 37 13.798 17.402 5.957 1.00 0.00 C ATOM 575 CG ASP A 37 14.578 18.086 7.097 1.00 0.00 C ATOM 576 OD1 ASP A 37 14.927 19.282 6.969 1.00 0.00 O ATOM 577 OD2 ASP A 37 14.779 17.459 8.162 1.00 0.00 O ATOM 0 H ASP A 37 13.380 16.014 3.662 1.00 0.00 H new ATOM 0 HA ASP A 37 14.755 18.545 4.423 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.813 17.860 5.871 1.00 0.00 H new ATOM 0 HB3 ASP A 37 13.641 16.353 6.208 1.00 0.00 H new ATOM 582 N PHE A 38 16.067 15.891 3.586 1.00 0.00 N ATOM 583 CA PHE A 38 17.226 15.034 3.370 1.00 0.00 C ATOM 584 C PHE A 38 17.435 14.932 1.855 1.00 0.00 C ATOM 585 O PHE A 38 16.501 15.178 1.084 1.00 0.00 O ATOM 586 CB PHE A 38 16.959 13.632 3.952 1.00 0.00 C ATOM 587 CG PHE A 38 16.521 13.591 5.406 1.00 0.00 C ATOM 588 CD1 PHE A 38 15.162 13.762 5.734 1.00 0.00 C ATOM 589 CD2 PHE A 38 17.463 13.384 6.433 1.00 0.00 C ATOM 590 CE1 PHE A 38 14.744 13.733 7.075 1.00 0.00 C ATOM 591 CE2 PHE A 38 17.044 13.354 7.776 1.00 0.00 C ATOM 592 CZ PHE A 38 15.686 13.526 8.098 1.00 0.00 C ATOM 0 H PHE A 38 15.373 15.778 2.847 1.00 0.00 H new ATOM 0 HA PHE A 38 18.108 15.446 3.860 1.00 0.00 H new ATOM 0 HB2 PHE A 38 16.191 13.149 3.347 1.00 0.00 H new ATOM 0 HB3 PHE A 38 17.867 13.038 3.849 1.00 0.00 H new ATOM 0 HD1 PHE A 38 14.436 13.916 4.949 1.00 0.00 H new ATOM 0 HD2 PHE A 38 18.506 13.248 6.190 1.00 0.00 H new ATOM 0 HE1 PHE A 38 13.701 13.869 7.320 1.00 0.00 H new ATOM 0 HE2 PHE A 38 17.768 13.198 8.562 1.00 0.00 H new ATOM 0 HZ PHE A 38 15.367 13.499 9.130 1.00 0.00 H new ATOM 602 N ALA A 39 18.640 14.556 1.417 1.00 0.00 N ATOM 603 CA ALA A 39 18.908 14.261 0.016 1.00 0.00 C ATOM 604 C ALA A 39 18.107 13.028 -0.429 1.00 0.00 C ATOM 605 O ALA A 39 17.857 12.126 0.373 1.00 0.00 O ATOM 606 CB ALA A 39 20.410 14.034 -0.192 1.00 0.00 C ATOM 0 H ALA A 39 19.452 14.449 2.026 1.00 0.00 H new ATOM 0 HA ALA A 39 18.597 15.110 -0.593 1.00 0.00 H new ATOM 0 HB1 ALA A 39 20.603 13.814 -1.242 1.00 0.00 H new ATOM 0 HB2 ALA A 39 20.957 14.931 0.097 1.00 0.00 H new ATOM 0 HB3 ALA A 39 20.740 13.195 0.421 1.00 0.00 H new ATOM 612 N VAL A 40 17.769 12.959 -1.716 1.00 0.00 N ATOM 613 CA VAL A 40 17.091 11.827 -2.340 1.00 0.00 C ATOM 614 C VAL A 40 17.601 11.753 -3.781 1.00 0.00 C ATOM 615 O VAL A 40 17.676 12.778 -4.468 1.00 0.00 O ATOM 616 CB VAL A 40 15.555 11.989 -2.202 1.00 0.00 C ATOM 617 CG1 VAL A 40 14.992 13.311 -2.757 1.00 0.00 C ATOM 618 CG2 VAL A 40 14.807 10.810 -2.837 1.00 0.00 C ATOM 0 H VAL A 40 17.966 13.714 -2.373 1.00 0.00 H new ATOM 0 HA VAL A 40 17.311 10.876 -1.854 1.00 0.00 H new ATOM 0 HB VAL A 40 15.384 12.008 -1.126 1.00 0.00 H new ATOM 0 HG11 VAL A 40 13.911 13.334 -2.616 1.00 0.00 H new ATOM 0 HG12 VAL A 40 15.445 14.150 -2.228 1.00 0.00 H new ATOM 0 HG13 VAL A 40 15.221 13.386 -3.820 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.733 10.956 -2.722 1.00 0.00 H new ATOM 0 HG22 VAL A 40 15.054 10.751 -3.897 1.00 0.00 H new ATOM 0 HG23 VAL A 40 15.102 9.884 -2.344 1.00 0.00 H new ATOM 628 N LYS A 41 18.010 10.568 -4.241 1.00 0.00 N ATOM 629 CA LYS A 41 18.661 10.389 -5.538 1.00 0.00 C ATOM 630 C LYS A 41 18.291 9.036 -6.140 1.00 0.00 C ATOM 631 O LYS A 41 17.584 8.241 -5.528 1.00 0.00 O ATOM 632 CB LYS A 41 20.188 10.634 -5.435 1.00 0.00 C ATOM 633 CG LYS A 41 21.060 9.487 -4.890 1.00 0.00 C ATOM 634 CD LYS A 41 20.606 8.974 -3.524 1.00 0.00 C ATOM 635 CE LYS A 41 21.534 7.884 -2.986 1.00 0.00 C ATOM 636 NZ LYS A 41 20.983 7.296 -1.743 1.00 0.00 N ATOM 0 H LYS A 41 17.897 9.700 -3.718 1.00 0.00 H new ATOM 0 HA LYS A 41 18.291 11.143 -6.233 1.00 0.00 H new ATOM 0 HB2 LYS A 41 20.555 10.891 -6.429 1.00 0.00 H new ATOM 0 HB3 LYS A 41 20.346 11.506 -4.801 1.00 0.00 H new ATOM 0 HG2 LYS A 41 21.048 8.662 -5.602 1.00 0.00 H new ATOM 0 HG3 LYS A 41 22.092 9.829 -4.816 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.573 9.803 -2.818 1.00 0.00 H new ATOM 0 HD3 LYS A 41 19.592 8.581 -3.602 1.00 0.00 H new ATOM 0 HE2 LYS A 41 21.662 7.105 -3.737 1.00 0.00 H new ATOM 0 HE3 LYS A 41 22.521 8.303 -2.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 21.643 6.582 -1.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 20.851 8.045 -1.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 20.067 6.848 -1.947 1.00 0.00 H new ATOM 650 N VAL A 42 18.735 8.798 -7.368 1.00 0.00 N ATOM 651 CA VAL A 42 18.448 7.580 -8.113 1.00 0.00 C ATOM 652 C VAL A 42 18.899 6.333 -7.344 1.00 0.00 C ATOM 653 O VAL A 42 19.900 6.344 -6.622 1.00 0.00 O ATOM 654 CB VAL A 42 19.079 7.688 -9.515 1.00 0.00 C ATOM 655 CG1 VAL A 42 18.784 6.444 -10.362 1.00 0.00 C ATOM 656 CG2 VAL A 42 18.491 8.924 -10.212 1.00 0.00 C ATOM 0 H VAL A 42 19.316 9.459 -7.883 1.00 0.00 H new ATOM 0 HA VAL A 42 17.371 7.469 -8.237 1.00 0.00 H new ATOM 0 HB VAL A 42 20.161 7.772 -9.409 1.00 0.00 H new ATOM 0 HG11 VAL A 42 19.244 6.555 -11.344 1.00 0.00 H new ATOM 0 HG12 VAL A 42 19.192 5.562 -9.868 1.00 0.00 H new ATOM 0 HG13 VAL A 42 17.706 6.330 -10.477 1.00 0.00 H new ATOM 0 HG21 VAL A 42 18.924 9.021 -11.208 1.00 0.00 H new ATOM 0 HG22 VAL A 42 17.410 8.815 -10.296 1.00 0.00 H new ATOM 0 HG23 VAL A 42 18.722 9.815 -9.628 1.00 0.00 H new ATOM 666 N GLY A 43 18.151 5.247 -7.546 1.00 0.00 N ATOM 667 CA GLY A 43 18.333 3.986 -6.864 1.00 0.00 C ATOM 668 C GLY A 43 17.842 4.081 -5.423 1.00 0.00 C ATOM 669 O GLY A 43 18.410 3.397 -4.569 1.00 0.00 O ATOM 0 H GLY A 43 17.379 5.231 -8.213 1.00 0.00 H new ATOM 0 HA2 GLY A 43 17.789 3.201 -7.389 1.00 0.00 H new ATOM 0 HA3 GLY A 43 19.387 3.707 -6.878 1.00 0.00 H new ATOM 673 N ASP A 44 16.833 4.921 -5.131 1.00 0.00 N ATOM 674 CA ASP A 44 16.351 5.036 -3.731 1.00 0.00 C ATOM 675 C ASP A 44 14.993 4.365 -3.621 1.00 0.00 C ATOM 676 O ASP A 44 14.182 4.491 -4.533 1.00 0.00 O ATOM 677 CB ASP A 44 16.194 6.481 -3.202 1.00 0.00 C ATOM 678 CG ASP A 44 17.442 7.124 -2.581 1.00 0.00 C ATOM 679 OD1 ASP A 44 18.362 6.394 -2.141 1.00 0.00 O ATOM 680 OD2 ASP A 44 17.468 8.366 -2.444 1.00 0.00 O ATOM 0 H ASP A 44 16.349 5.510 -5.809 1.00 0.00 H new ATOM 0 HA ASP A 44 17.121 4.560 -3.125 1.00 0.00 H new ATOM 0 HB2 ASP A 44 15.860 7.111 -4.026 1.00 0.00 H new ATOM 0 HB3 ASP A 44 15.400 6.486 -2.455 1.00 0.00 H new ATOM 685 N LEU A 45 14.701 3.693 -2.505 1.00 0.00 N ATOM 686 CA LEU A 45 13.343 3.229 -2.235 1.00 0.00 C ATOM 687 C LEU A 45 12.547 4.390 -1.631 1.00 0.00 C ATOM 688 O LEU A 45 13.125 5.212 -0.915 1.00 0.00 O ATOM 689 CB LEU A 45 13.389 2.064 -1.232 1.00 0.00 C ATOM 690 CG LEU A 45 12.074 1.268 -1.102 1.00 0.00 C ATOM 691 CD1 LEU A 45 11.848 0.337 -2.298 1.00 0.00 C ATOM 692 CD2 LEU A 45 12.121 0.439 0.183 1.00 0.00 C ATOM 0 H LEU A 45 15.381 3.461 -1.781 1.00 0.00 H new ATOM 0 HA LEU A 45 12.872 2.888 -3.157 1.00 0.00 H new ATOM 0 HB2 LEU A 45 14.184 1.379 -1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 45 13.657 2.458 -0.252 1.00 0.00 H new ATOM 0 HG LEU A 45 11.248 1.979 -1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.911 -0.204 -2.166 1.00 0.00 H new ATOM 0 HD12 LEU A 45 11.801 0.926 -3.214 1.00 0.00 H new ATOM 0 HD13 LEU A 45 12.671 -0.374 -2.366 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.195 -0.128 0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.965 -0.249 0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.236 1.103 1.040 1.00 0.00 H new ATOM 704 N LEU A 46 11.232 4.413 -1.848 1.00 0.00 N ATOM 705 CA LEU A 46 10.284 5.279 -1.162 1.00 0.00 C ATOM 706 C LEU A 46 9.177 4.388 -0.620 1.00 0.00 C ATOM 707 O LEU A 46 8.463 3.748 -1.395 1.00 0.00 O ATOM 708 CB LEU A 46 9.678 6.359 -2.077 1.00 0.00 C ATOM 709 CG LEU A 46 10.660 7.422 -2.589 1.00 0.00 C ATOM 710 CD1 LEU A 46 9.910 8.429 -3.466 1.00 0.00 C ATOM 711 CD2 LEU A 46 11.369 8.198 -1.478 1.00 0.00 C ATOM 0 H LEU A 46 10.785 3.804 -2.533 1.00 0.00 H new ATOM 0 HA LEU A 46 10.809 5.814 -0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.222 5.868 -2.936 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.877 6.861 -1.535 1.00 0.00 H new ATOM 0 HG LEU A 46 11.423 6.880 -3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.607 9.184 -3.830 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.462 7.910 -4.313 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.127 8.910 -2.880 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.045 8.930 -1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.629 8.712 -0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.938 7.506 -0.857 1.00 0.00 H new ATOM 723 N SER A 47 9.010 4.386 0.698 1.00 0.00 N ATOM 724 CA SER A 47 8.003 3.585 1.396 1.00 0.00 C ATOM 725 C SER A 47 7.098 4.517 2.206 1.00 0.00 C ATOM 726 O SER A 47 7.630 5.402 2.877 1.00 0.00 O ATOM 727 CB SER A 47 8.689 2.583 2.329 1.00 0.00 C ATOM 728 OG SER A 47 9.684 1.856 1.634 1.00 0.00 O ATOM 0 H SER A 47 9.581 4.951 1.326 1.00 0.00 H new ATOM 0 HA SER A 47 7.405 3.034 0.670 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.138 3.110 3.171 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.950 1.896 2.740 1.00 0.00 H new ATOM 0 HG SER A 47 10.113 1.222 2.246 1.00 0.00 H new ATOM 734 N PRO A 48 5.764 4.381 2.155 1.00 0.00 N ATOM 735 CA PRO A 48 4.862 5.342 2.776 1.00 0.00 C ATOM 736 C PRO A 48 4.944 5.311 4.305 1.00 0.00 C ATOM 737 O PRO A 48 5.276 4.290 4.916 1.00 0.00 O ATOM 738 CB PRO A 48 3.460 4.979 2.274 1.00 0.00 C ATOM 739 CG PRO A 48 3.570 3.497 1.921 1.00 0.00 C ATOM 740 CD PRO A 48 5.016 3.352 1.451 1.00 0.00 C ATOM 0 HA PRO A 48 5.131 6.362 2.504 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.704 5.152 3.040 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.179 5.577 1.407 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.362 2.862 2.782 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.863 3.216 1.140 1.00 0.00 H new ATOM 0 HD2 PRO A 48 5.404 2.360 1.680 1.00 0.00 H new ATOM 0 HD3 PRO A 48 5.092 3.482 0.371 1.00 0.00 H new ATOM 748 N LEU A 49 4.569 6.438 4.911 1.00 0.00 N ATOM 749 CA LEU A 49 4.459 6.634 6.358 1.00 0.00 C ATOM 750 C LEU A 49 3.069 7.175 6.690 1.00 0.00 C ATOM 751 O LEU A 49 2.446 6.737 7.658 1.00 0.00 O ATOM 752 CB LEU A 49 5.525 7.641 6.826 1.00 0.00 C ATOM 753 CG LEU A 49 6.961 7.093 6.798 1.00 0.00 C ATOM 754 CD1 LEU A 49 7.947 8.250 6.974 1.00 0.00 C ATOM 755 CD2 LEU A 49 7.185 6.052 7.903 1.00 0.00 C ATOM 0 H LEU A 49 4.323 7.276 4.384 1.00 0.00 H new ATOM 0 HA LEU A 49 4.614 5.682 6.866 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.474 8.528 6.195 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.288 7.959 7.842 1.00 0.00 H new ATOM 0 HG LEU A 49 7.123 6.604 5.837 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.967 7.865 6.955 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.814 8.967 6.164 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.763 8.743 7.929 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.210 5.685 7.855 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.009 6.511 8.876 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.495 5.220 7.764 1.00 0.00 H new ATOM 767 N GLN A 50 2.578 8.095 5.861 1.00 0.00 N ATOM 768 CA GLN A 50 1.210 8.599 5.831 1.00 0.00 C ATOM 769 C GLN A 50 0.945 9.052 4.387 1.00 0.00 C ATOM 770 O GLN A 50 1.735 8.729 3.497 1.00 0.00 O ATOM 771 CB GLN A 50 0.984 9.682 6.911 1.00 0.00 C ATOM 772 CG GLN A 50 1.994 10.842 6.911 1.00 0.00 C ATOM 773 CD GLN A 50 1.658 11.918 7.952 1.00 0.00 C ATOM 774 OE1 GLN A 50 1.238 11.631 9.070 1.00 0.00 O ATOM 775 NE2 GLN A 50 1.839 13.186 7.618 1.00 0.00 N ATOM 0 H GLN A 50 3.162 8.534 5.150 1.00 0.00 H new ATOM 0 HA GLN A 50 0.480 7.833 6.091 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.016 10.095 6.782 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.007 9.204 7.890 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.992 10.450 7.108 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.020 11.296 5.920 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.188 13.424 6.690 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.630 13.925 8.289 1.00 0.00 H new ATOM 784 N ASN A 51 -0.151 9.778 4.135 1.00 0.00 N ATOM 785 CA ASN A 51 -0.619 10.096 2.779 1.00 0.00 C ATOM 786 C ASN A 51 0.467 10.691 1.878 1.00 0.00 C ATOM 787 O ASN A 51 0.549 10.321 0.706 1.00 0.00 O ATOM 788 CB ASN A 51 -1.819 11.054 2.841 1.00 0.00 C ATOM 789 CG ASN A 51 -2.279 11.440 1.436 1.00 0.00 C ATOM 790 OD1 ASN A 51 -2.975 10.679 0.769 1.00 0.00 O ATOM 791 ND2 ASN A 51 -1.896 12.611 0.948 1.00 0.00 N ATOM 0 H ASN A 51 -0.742 10.164 4.871 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.914 9.147 2.332 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.640 10.581 3.380 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.546 11.950 3.398 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.179 12.889 0.008 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.318 13.234 1.512 1.00 0.00 H new ATOM 798 N ALA A 52 1.297 11.596 2.416 1.00 0.00 N ATOM 799 CA ALA A 52 2.303 12.315 1.668 1.00 0.00 C ATOM 800 C ALA A 52 3.726 12.030 2.152 1.00 0.00 C ATOM 801 O ALA A 52 4.636 12.204 1.351 1.00 0.00 O ATOM 802 CB ALA A 52 2.000 13.817 1.722 1.00 0.00 C ATOM 0 H ALA A 52 1.276 11.844 3.405 1.00 0.00 H new ATOM 0 HA ALA A 52 2.260 11.964 0.637 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.758 14.362 1.158 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.019 14.006 1.287 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.008 14.153 2.759 1.00 0.00 H new ATOM 808 N LEU A 53 3.969 11.633 3.410 1.00 0.00 N ATOM 809 CA LEU A 53 5.335 11.340 3.845 1.00 0.00 C ATOM 810 C LEU A 53 5.733 9.957 3.351 1.00 0.00 C ATOM 811 O LEU A 53 4.980 8.996 3.537 1.00 0.00 O ATOM 812 CB LEU A 53 5.544 11.394 5.369 1.00 0.00 C ATOM 813 CG LEU A 53 5.580 12.800 5.995 1.00 0.00 C ATOM 814 CD1 LEU A 53 5.658 12.673 7.520 1.00 0.00 C ATOM 815 CD2 LEU A 53 6.785 13.624 5.520 1.00 0.00 C ATOM 0 H LEU A 53 3.253 11.511 4.126 1.00 0.00 H new ATOM 0 HA LEU A 53 5.959 12.124 3.416 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.745 10.826 5.846 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.480 10.888 5.606 1.00 0.00 H new ATOM 0 HG LEU A 53 4.671 13.314 5.683 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.684 13.667 7.967 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.784 12.133 7.885 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.562 12.128 7.794 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.762 14.607 5.991 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.707 13.111 5.794 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.742 13.740 4.437 1.00 0.00 H new ATOM 827 N TYR A 54 6.950 9.852 2.823 1.00 0.00 N ATOM 828 CA TYR A 54 7.576 8.593 2.450 1.00 0.00 C ATOM 829 C TYR A 54 9.001 8.599 2.997 1.00 0.00 C ATOM 830 O TYR A 54 9.667 9.637 2.994 1.00 0.00 O ATOM 831 CB TYR A 54 7.595 8.397 0.921 1.00 0.00 C ATOM 832 CG TYR A 54 6.260 8.058 0.276 1.00 0.00 C ATOM 833 CD1 TYR A 54 5.256 9.038 0.172 1.00 0.00 C ATOM 834 CD2 TYR A 54 6.020 6.769 -0.240 1.00 0.00 C ATOM 835 CE1 TYR A 54 4.005 8.728 -0.385 1.00 0.00 C ATOM 836 CE2 TYR A 54 4.775 6.448 -0.812 1.00 0.00 C ATOM 837 CZ TYR A 54 3.754 7.427 -0.875 1.00 0.00 C ATOM 838 OH TYR A 54 2.533 7.135 -1.404 1.00 0.00 O ATOM 0 H TYR A 54 7.541 10.663 2.639 1.00 0.00 H new ATOM 0 HA TYR A 54 7.002 7.767 2.870 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.976 9.309 0.462 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.302 7.602 0.685 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.450 10.040 0.525 1.00 0.00 H new ATOM 0 HD2 TYR A 54 6.798 6.021 -0.196 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.235 9.484 -0.439 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.599 5.457 -1.202 1.00 0.00 H new ATOM 0 HH TYR A 54 2.519 6.200 -1.698 1.00 0.00 H new ATOM 848 N CYS A 55 9.449 7.433 3.457 1.00 0.00 N ATOM 849 CA CYS A 55 10.828 7.127 3.818 1.00 0.00 C ATOM 850 C CYS A 55 11.719 7.287 2.583 1.00 0.00 C ATOM 851 O CYS A 55 11.219 7.136 1.472 1.00 0.00 O ATOM 852 CB CYS A 55 10.923 5.658 4.263 1.00 0.00 C ATOM 853 SG CYS A 55 9.600 5.172 5.405 1.00 0.00 S ATOM 0 H CYS A 55 8.827 6.637 3.594 1.00 0.00 H new ATOM 0 HA CYS A 55 11.144 7.797 4.618 1.00 0.00 H new ATOM 0 HB2 CYS A 55 10.889 5.015 3.383 1.00 0.00 H new ATOM 0 HB3 CYS A 55 11.888 5.492 4.742 1.00 0.00 H new ATOM 0 HG CYS A 55 8.477 5.083 4.756 1.00 0.00 H new ATOM 859 N ILE A 56 13.029 7.458 2.759 1.00 0.00 N ATOM 860 CA ILE A 56 14.011 7.454 1.678 1.00 0.00 C ATOM 861 C ILE A 56 14.945 6.261 1.868 1.00 0.00 C ATOM 862 O ILE A 56 15.254 5.849 2.989 1.00 0.00 O ATOM 863 CB ILE A 56 14.815 8.781 1.652 1.00 0.00 C ATOM 864 CG1 ILE A 56 13.888 10.002 1.464 1.00 0.00 C ATOM 865 CG2 ILE A 56 15.891 8.792 0.536 1.00 0.00 C ATOM 866 CD1 ILE A 56 14.554 11.305 1.919 1.00 0.00 C ATOM 0 H ILE A 56 13.445 7.606 3.678 1.00 0.00 H new ATOM 0 HA ILE A 56 13.495 7.368 0.722 1.00 0.00 H new ATOM 0 HB ILE A 56 15.313 8.848 2.619 1.00 0.00 H new ATOM 0 HG12 ILE A 56 13.608 10.086 0.414 1.00 0.00 H new ATOM 0 HG13 ILE A 56 12.968 9.849 2.028 1.00 0.00 H new ATOM 0 HG21 ILE A 56 16.428 9.741 0.557 1.00 0.00 H new ATOM 0 HG22 ILE A 56 16.593 7.974 0.699 1.00 0.00 H new ATOM 0 HG23 ILE A 56 15.410 8.669 -0.434 1.00 0.00 H new ATOM 0 HD11 ILE A 56 13.866 12.137 1.769 1.00 0.00 H new ATOM 0 HD12 ILE A 56 14.811 11.233 2.976 1.00 0.00 H new ATOM 0 HD13 ILE A 56 15.460 11.473 1.337 1.00 0.00 H new ATOM 878 N ASN A 57 15.456 5.775 0.738 1.00 0.00 N ATOM 879 CA ASN A 57 16.543 4.822 0.569 1.00 0.00 C ATOM 880 C ASN A 57 16.190 3.420 1.028 1.00 0.00 C ATOM 881 O ASN A 57 16.118 2.527 0.187 1.00 0.00 O ATOM 882 CB ASN A 57 17.836 5.301 1.254 1.00 0.00 C ATOM 883 CG ASN A 57 18.977 4.395 0.830 1.00 0.00 C ATOM 884 OD1 ASN A 57 19.446 3.549 1.583 1.00 0.00 O ATOM 885 ND2 ASN A 57 19.407 4.544 -0.406 1.00 0.00 N ATOM 0 H ASN A 57 15.082 6.068 -0.164 1.00 0.00 H new ATOM 0 HA ASN A 57 16.717 4.770 -0.506 1.00 0.00 H new ATOM 0 HB2 ASN A 57 18.050 6.333 0.977 1.00 0.00 H new ATOM 0 HB3 ASN A 57 17.720 5.280 2.338 1.00 0.00 H new ATOM 0 HD21 ASN A 57 20.152 3.945 -0.762 1.00 0.00 H new ATOM 0 HD22 ASN A 57 18.995 5.258 -1.007 1.00 0.00 H new ATOM 892 N ARG A 58 15.988 3.254 2.335 1.00 0.00 N ATOM 893 CA ARG A 58 15.694 2.009 3.033 1.00 0.00 C ATOM 894 C ARG A 58 15.311 2.259 4.499 1.00 0.00 C ATOM 895 O ARG A 58 15.091 1.283 5.217 1.00 0.00 O ATOM 896 CB ARG A 58 16.921 1.066 2.963 1.00 0.00 C ATOM 897 CG ARG A 58 18.103 1.508 3.850 1.00 0.00 C ATOM 898 CD ARG A 58 19.374 0.726 3.501 1.00 0.00 C ATOM 899 NE ARG A 58 20.441 0.944 4.496 1.00 0.00 N ATOM 900 CZ ARG A 58 21.300 1.971 4.542 1.00 0.00 C ATOM 901 NH1 ARG A 58 21.246 2.955 3.648 1.00 0.00 N ATOM 902 NH2 ARG A 58 22.226 2.006 5.495 1.00 0.00 N ATOM 0 H ARG A 58 16.029 4.045 2.977 1.00 0.00 H new ATOM 0 HA ARG A 58 14.842 1.541 2.540 1.00 0.00 H new ATOM 0 HB2 ARG A 58 16.613 0.063 3.259 1.00 0.00 H new ATOM 0 HB3 ARG A 58 17.260 1.003 1.929 1.00 0.00 H new ATOM 0 HG2 ARG A 58 18.281 2.575 3.719 1.00 0.00 H new ATOM 0 HG3 ARG A 58 17.853 1.353 4.899 1.00 0.00 H new ATOM 0 HD2 ARG A 58 19.142 -0.338 3.443 1.00 0.00 H new ATOM 0 HD3 ARG A 58 19.728 1.029 2.516 1.00 0.00 H new ATOM 0 HE ARG A 58 20.535 0.238 5.226 1.00 0.00 H new ATOM 0 HH11 ARG A 58 20.541 2.936 2.911 1.00 0.00 H new ATOM 0 HH12 ARG A 58 21.909 3.728 3.700 1.00 0.00 H new ATOM 0 HH21 ARG A 58 22.278 1.255 6.183 1.00 0.00 H new ATOM 0 HH22 ARG A 58 22.884 2.784 5.538 1.00 0.00 H new ATOM 916 N GLU A 59 15.270 3.512 4.978 1.00 0.00 N ATOM 917 CA GLU A 59 15.173 3.805 6.405 1.00 0.00 C ATOM 918 C GLU A 59 14.130 4.887 6.674 1.00 0.00 C ATOM 919 O GLU A 59 13.959 5.826 5.897 1.00 0.00 O ATOM 920 CB GLU A 59 16.561 4.167 6.965 1.00 0.00 C ATOM 921 CG GLU A 59 17.167 5.474 6.426 1.00 0.00 C ATOM 922 CD GLU A 59 18.618 5.653 6.910 1.00 0.00 C ATOM 923 OE1 GLU A 59 18.837 5.876 8.123 1.00 0.00 O ATOM 924 OE2 GLU A 59 19.552 5.565 6.082 1.00 0.00 O ATOM 0 H GLU A 59 15.303 4.342 4.386 1.00 0.00 H new ATOM 0 HA GLU A 59 14.831 2.913 6.930 1.00 0.00 H new ATOM 0 HB2 GLU A 59 16.489 4.240 8.050 1.00 0.00 H new ATOM 0 HB3 GLU A 59 17.248 3.350 6.745 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.142 5.468 5.336 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.564 6.321 6.754 1.00 0.00 H new ATOM 931 N LYS A 60 13.423 4.732 7.795 1.00 0.00 N ATOM 932 CA LYS A 60 12.233 5.517 8.124 1.00 0.00 C ATOM 933 C LYS A 60 12.551 6.978 8.437 1.00 0.00 C ATOM 934 O LYS A 60 11.695 7.838 8.240 1.00 0.00 O ATOM 935 CB LYS A 60 11.493 4.896 9.329 1.00 0.00 C ATOM 936 CG LYS A 60 11.198 3.386 9.253 1.00 0.00 C ATOM 937 CD LYS A 60 10.376 2.975 8.021 1.00 0.00 C ATOM 938 CE LYS A 60 10.065 1.470 7.990 1.00 0.00 C ATOM 939 NZ LYS A 60 9.128 1.041 9.060 1.00 0.00 N ATOM 0 H LYS A 60 13.665 4.047 8.511 1.00 0.00 H new ATOM 0 HA LYS A 60 11.600 5.496 7.237 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.084 5.083 10.225 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.547 5.422 9.456 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.142 2.841 9.247 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.662 3.084 10.153 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.441 3.535 8.010 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.922 3.248 7.118 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.639 1.214 7.020 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.996 0.912 8.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.933 0.024 8.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.556 1.225 9.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.239 1.573 8.977 1.00 0.00 H new ATOM 953 N LEU A 61 13.744 7.252 8.974 1.00 0.00 N ATOM 954 CA LEU A 61 14.088 8.559 9.530 1.00 0.00 C ATOM 955 C LEU A 61 14.174 9.626 8.448 1.00 0.00 C ATOM 956 O LEU A 61 13.733 10.756 8.653 1.00 0.00 O ATOM 957 CB LEU A 61 15.441 8.497 10.263 1.00 0.00 C ATOM 958 CG LEU A 61 15.561 7.419 11.355 1.00 0.00 C ATOM 959 CD1 LEU A 61 16.939 7.523 12.010 1.00 0.00 C ATOM 960 CD2 LEU A 61 14.454 7.536 12.406 1.00 0.00 C ATOM 0 H LEU A 61 14.499 6.569 9.034 1.00 0.00 H new ATOM 0 HA LEU A 61 13.294 8.824 10.228 1.00 0.00 H new ATOM 0 HB2 LEU A 61 16.225 8.329 9.525 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.633 9.470 10.716 1.00 0.00 H new ATOM 0 HG LEU A 61 15.445 6.442 10.886 1.00 0.00 H new ATOM 0 HD11 LEU A 61 17.032 6.762 12.785 1.00 0.00 H new ATOM 0 HD12 LEU A 61 17.712 7.370 11.257 1.00 0.00 H new ATOM 0 HD13 LEU A 61 17.057 8.511 12.455 1.00 0.00 H new ATOM 0 HD21 LEU A 61 14.580 6.755 13.156 1.00 0.00 H new ATOM 0 HD22 LEU A 61 14.510 8.513 12.887 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.482 7.424 11.925 1.00 0.00 H new ATOM 972 N HIS A 62 14.783 9.271 7.319 1.00 0.00 N ATOM 973 CA HIS A 62 14.984 10.181 6.203 1.00 0.00 C ATOM 974 C HIS A 62 13.683 10.212 5.401 1.00 0.00 C ATOM 975 O HIS A 62 13.231 9.151 4.969 1.00 0.00 O ATOM 976 CB HIS A 62 16.161 9.691 5.343 1.00 0.00 C ATOM 977 CG HIS A 62 17.498 9.588 6.045 1.00 0.00 C ATOM 978 ND1 HIS A 62 18.637 9.025 5.513 1.00 0.00 N ATOM 979 CD2 HIS A 62 17.826 10.036 7.300 1.00 0.00 C ATOM 980 CE1 HIS A 62 19.620 9.128 6.422 1.00 0.00 C ATOM 981 NE2 HIS A 62 19.176 9.742 7.534 1.00 0.00 N ATOM 0 H HIS A 62 15.153 8.335 7.155 1.00 0.00 H new ATOM 0 HA HIS A 62 15.228 11.186 6.547 1.00 0.00 H new ATOM 0 HB2 HIS A 62 15.908 8.710 4.941 1.00 0.00 H new ATOM 0 HB3 HIS A 62 16.270 10.365 4.494 1.00 0.00 H new ATOM 0 HD2 HIS A 62 17.158 10.531 7.989 1.00 0.00 H new ATOM 0 HE1 HIS A 62 20.628 8.768 6.280 1.00 0.00 H new ATOM 0 HE2 HIS A 62 19.713 9.951 8.376 1.00 0.00 H new ATOM 989 N THR A 63 13.076 11.381 5.189 1.00 0.00 N ATOM 990 CA THR A 63 11.748 11.481 4.602 1.00 0.00 C ATOM 991 C THR A 63 11.640 12.566 3.525 1.00 0.00 C ATOM 992 O THR A 63 12.350 13.578 3.544 1.00 0.00 O ATOM 993 CB THR A 63 10.743 11.757 5.735 1.00 0.00 C ATOM 994 OG1 THR A 63 11.191 12.833 6.545 1.00 0.00 O ATOM 995 CG2 THR A 63 10.586 10.532 6.635 1.00 0.00 C ATOM 0 H THR A 63 13.495 12.282 5.421 1.00 0.00 H new ATOM 0 HA THR A 63 11.530 10.539 4.099 1.00 0.00 H new ATOM 0 HB THR A 63 9.789 12.003 5.268 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.541 12.997 7.260 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.871 10.752 7.428 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.225 9.690 6.044 1.00 0.00 H new ATOM 0 HG23 THR A 63 11.550 10.279 7.076 1.00 0.00 H new ATOM 1003 N VAL A 64 10.706 12.356 2.598 1.00 0.00 N ATOM 1004 CA VAL A 64 10.210 13.335 1.649 1.00 0.00 C ATOM 1005 C VAL A 64 8.717 13.515 1.937 1.00 0.00 C ATOM 1006 O VAL A 64 8.110 12.659 2.588 1.00 0.00 O ATOM 1007 CB VAL A 64 10.422 12.869 0.198 1.00 0.00 C ATOM 1008 CG1 VAL A 64 11.897 12.806 -0.196 1.00 0.00 C ATOM 1009 CG2 VAL A 64 9.754 11.529 -0.145 1.00 0.00 C ATOM 0 H VAL A 64 10.255 11.448 2.488 1.00 0.00 H new ATOM 0 HA VAL A 64 10.751 14.275 1.759 1.00 0.00 H new ATOM 0 HB VAL A 64 9.925 13.643 -0.387 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.984 12.471 -1.230 1.00 0.00 H new ATOM 0 HG12 VAL A 64 12.343 13.796 -0.097 1.00 0.00 H new ATOM 0 HG13 VAL A 64 12.418 12.106 0.457 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.955 11.278 -1.187 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.154 10.747 0.500 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.678 11.609 0.008 1.00 0.00 H new ATOM 1019 N LYS A 65 8.110 14.573 1.398 1.00 0.00 N ATOM 1020 CA LYS A 65 6.672 14.806 1.446 1.00 0.00 C ATOM 1021 C LYS A 65 6.194 15.036 0.021 1.00 0.00 C ATOM 1022 O LYS A 65 6.744 15.887 -0.674 1.00 0.00 O ATOM 1023 CB LYS A 65 6.361 16.008 2.348 1.00 0.00 C ATOM 1024 CG LYS A 65 4.855 16.133 2.623 1.00 0.00 C ATOM 1025 CD LYS A 65 4.557 17.327 3.537 1.00 0.00 C ATOM 1026 CE LYS A 65 3.045 17.445 3.777 1.00 0.00 C ATOM 1027 NZ LYS A 65 2.703 18.600 4.646 1.00 0.00 N ATOM 0 H LYS A 65 8.619 15.307 0.905 1.00 0.00 H new ATOM 0 HA LYS A 65 6.151 13.947 1.870 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.896 15.904 3.292 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.722 16.921 1.876 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.319 16.250 1.681 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.490 15.217 3.086 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.075 17.205 4.488 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.934 18.244 3.084 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.534 17.549 2.820 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.679 16.526 4.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.673 18.640 4.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.169 18.490 5.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.028 19.480 4.197 1.00 0.00 H new ATOM 1041 N VAL A 66 5.210 14.271 -0.428 1.00 0.00 N ATOM 1042 CA VAL A 66 4.644 14.386 -1.766 1.00 0.00 C ATOM 1043 C VAL A 66 3.879 15.709 -1.863 1.00 0.00 C ATOM 1044 O VAL A 66 3.224 16.122 -0.902 1.00 0.00 O ATOM 1045 CB VAL A 66 3.768 13.145 -2.058 1.00 0.00 C ATOM 1046 CG1 VAL A 66 3.003 13.255 -3.388 1.00 0.00 C ATOM 1047 CG2 VAL A 66 4.649 11.886 -2.137 1.00 0.00 C ATOM 0 H VAL A 66 4.775 13.541 0.135 1.00 0.00 H new ATOM 0 HA VAL A 66 5.421 14.406 -2.530 1.00 0.00 H new ATOM 0 HB VAL A 66 3.048 13.083 -1.242 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.406 12.356 -3.540 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.348 14.126 -3.360 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.713 13.362 -4.208 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.024 11.017 -2.343 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.381 12.004 -2.936 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.167 11.744 -1.188 1.00 0.00 H new ATOM 1057 N LEU A 67 3.936 16.350 -3.033 1.00 0.00 N ATOM 1058 CA LEU A 67 3.215 17.584 -3.333 1.00 0.00 C ATOM 1059 C LEU A 67 2.227 17.340 -4.476 1.00 0.00 C ATOM 1060 O LEU A 67 1.088 17.801 -4.395 1.00 0.00 O ATOM 1061 CB LEU A 67 4.203 18.705 -3.702 1.00 0.00 C ATOM 1062 CG LEU A 67 5.263 19.014 -2.626 1.00 0.00 C ATOM 1063 CD1 LEU A 67 6.265 20.022 -3.190 1.00 0.00 C ATOM 1064 CD2 LEU A 67 4.667 19.559 -1.323 1.00 0.00 C ATOM 0 H LEU A 67 4.499 16.015 -3.815 1.00 0.00 H new ATOM 0 HA LEU A 67 2.660 17.897 -2.448 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.713 18.431 -4.626 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.638 19.614 -3.907 1.00 0.00 H new ATOM 0 HG LEU A 67 5.750 18.072 -2.375 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.019 20.247 -2.436 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.748 19.600 -4.071 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.743 20.938 -3.466 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.468 19.755 -0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.130 20.485 -1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.979 18.825 -0.903 1.00 0.00 H new ATOM 1076 N SER A 68 2.623 16.568 -5.492 1.00 0.00 N ATOM 1077 CA SER A 68 1.763 16.099 -6.577 1.00 0.00 C ATOM 1078 C SER A 68 2.483 14.963 -7.314 1.00 0.00 C ATOM 1079 O SER A 68 3.700 14.811 -7.173 1.00 0.00 O ATOM 1080 CB SER A 68 1.406 17.260 -7.527 1.00 0.00 C ATOM 1081 OG SER A 68 2.521 18.079 -7.844 1.00 0.00 O ATOM 0 H SER A 68 3.585 16.242 -5.583 1.00 0.00 H new ATOM 0 HA SER A 68 0.824 15.720 -6.174 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.987 16.853 -8.448 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.631 17.873 -7.068 1.00 0.00 H new ATOM 0 HG SER A 68 2.239 18.796 -8.449 1.00 0.00 H new ATOM 1087 N ALA A 69 1.761 14.161 -8.102 1.00 0.00 N ATOM 1088 CA ALA A 69 2.341 13.114 -8.937 1.00 0.00 C ATOM 1089 C ALA A 69 1.402 12.788 -10.099 1.00 0.00 C ATOM 1090 O ALA A 69 0.211 13.109 -10.047 1.00 0.00 O ATOM 1091 CB ALA A 69 2.610 11.862 -8.089 1.00 0.00 C ATOM 0 H ALA A 69 0.746 14.224 -8.176 1.00 0.00 H new ATOM 0 HA ALA A 69 3.287 13.466 -9.349 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.043 11.083 -8.717 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.305 12.109 -7.286 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.673 11.504 -7.661 1.00 0.00 H new ATOM 1097 N SER A 70 1.929 12.152 -11.146 1.00 0.00 N ATOM 1098 CA SER A 70 1.176 11.673 -12.308 1.00 0.00 C ATOM 1099 C SER A 70 1.982 10.592 -13.037 1.00 0.00 C ATOM 1100 O SER A 70 3.206 10.549 -12.915 1.00 0.00 O ATOM 1101 CB SER A 70 0.905 12.843 -13.272 1.00 0.00 C ATOM 1102 OG SER A 70 0.043 13.806 -12.689 1.00 0.00 O ATOM 0 H SER A 70 2.926 11.949 -11.211 1.00 0.00 H new ATOM 0 HA SER A 70 0.228 11.254 -11.970 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.848 13.316 -13.547 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.459 12.463 -14.191 1.00 0.00 H new ATOM 0 HG SER A 70 -0.107 13.583 -11.747 1.00 0.00 H new ATOM 1108 N SER A 71 1.313 9.735 -13.814 1.00 0.00 N ATOM 1109 CA SER A 71 1.944 8.746 -14.689 1.00 0.00 C ATOM 1110 C SER A 71 2.968 9.410 -15.627 1.00 0.00 C ATOM 1111 O SER A 71 2.812 10.579 -15.994 1.00 0.00 O ATOM 1112 CB SER A 71 0.854 8.021 -15.489 1.00 0.00 C ATOM 1113 OG SER A 71 -0.194 7.587 -14.632 1.00 0.00 O ATOM 0 H SER A 71 0.294 9.710 -13.852 1.00 0.00 H new ATOM 0 HA SER A 71 2.487 8.022 -14.081 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.453 8.687 -16.253 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.285 7.164 -16.007 1.00 0.00 H new ATOM 0 HG SER A 71 -0.880 7.129 -15.161 1.00 0.00 H new ATOM 1119 N TYR A 72 4.026 8.681 -16.001 1.00 0.00 N ATOM 1120 CA TYR A 72 5.138 9.263 -16.743 1.00 0.00 C ATOM 1121 C TYR A 72 4.709 9.710 -18.143 1.00 0.00 C ATOM 1122 O TYR A 72 4.028 8.970 -18.859 1.00 0.00 O ATOM 1123 CB TYR A 72 6.314 8.280 -16.840 1.00 0.00 C ATOM 1124 CG TYR A 72 7.402 8.734 -17.803 1.00 0.00 C ATOM 1125 CD1 TYR A 72 8.219 9.835 -17.484 1.00 0.00 C ATOM 1126 CD2 TYR A 72 7.548 8.101 -19.054 1.00 0.00 C ATOM 1127 CE1 TYR A 72 9.186 10.292 -18.398 1.00 0.00 C ATOM 1128 CE2 TYR A 72 8.510 8.555 -19.975 1.00 0.00 C ATOM 1129 CZ TYR A 72 9.337 9.655 -19.647 1.00 0.00 C ATOM 1130 OH TYR A 72 10.284 10.104 -20.519 1.00 0.00 O ATOM 0 H TYR A 72 4.131 7.687 -15.799 1.00 0.00 H new ATOM 0 HA TYR A 72 5.465 10.144 -16.190 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.749 8.146 -15.849 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.940 7.307 -17.159 1.00 0.00 H new ATOM 0 HD1 TYR A 72 8.103 10.332 -16.532 1.00 0.00 H new ATOM 0 HD2 TYR A 72 6.917 7.262 -19.307 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.814 11.133 -18.142 1.00 0.00 H new ATOM 0 HE2 TYR A 72 8.617 8.064 -20.931 1.00 0.00 H new ATOM 0 HH TYR A 72 10.263 9.560 -21.334 1.00 0.00 H new ATOM 1140 N SER A 73 5.200 10.887 -18.534 1.00 0.00 N ATOM 1141 CA SER A 73 5.171 11.427 -19.880 1.00 0.00 C ATOM 1142 C SER A 73 6.443 12.277 -20.018 1.00 0.00 C ATOM 1143 O SER A 73 6.824 12.922 -19.035 1.00 0.00 O ATOM 1144 CB SER A 73 3.938 12.316 -20.087 1.00 0.00 C ATOM 1145 OG SER A 73 2.721 11.701 -19.720 1.00 0.00 O ATOM 0 H SER A 73 5.654 11.520 -17.875 1.00 0.00 H new ATOM 0 HA SER A 73 5.124 10.627 -20.619 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.061 13.231 -19.507 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.885 12.608 -21.136 1.00 0.00 H new ATOM 0 HG SER A 73 2.039 12.389 -19.569 1.00 0.00 H new ATOM 1151 N PRO A 74 7.095 12.328 -21.191 1.00 0.00 N ATOM 1152 CA PRO A 74 8.366 13.031 -21.345 1.00 0.00 C ATOM 1153 C PRO A 74 8.237 14.529 -21.061 1.00 0.00 C ATOM 1154 O PRO A 74 9.055 15.095 -20.333 1.00 0.00 O ATOM 1155 CB PRO A 74 8.820 12.768 -22.786 1.00 0.00 C ATOM 1156 CG PRO A 74 7.573 12.263 -23.515 1.00 0.00 C ATOM 1157 CD PRO A 74 6.734 11.626 -22.411 1.00 0.00 C ATOM 0 HA PRO A 74 9.098 12.668 -20.624 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.206 13.676 -23.249 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.621 12.029 -22.818 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.038 13.078 -24.003 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.829 11.540 -24.290 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.669 11.727 -22.621 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.943 10.560 -22.326 1.00 0.00 H new ATOM 1165 N ASP A 75 7.201 15.169 -21.613 1.00 0.00 N ATOM 1166 CA ASP A 75 6.946 16.587 -21.380 1.00 0.00 C ATOM 1167 C ASP A 75 6.643 16.830 -19.912 1.00 0.00 C ATOM 1168 O ASP A 75 7.283 17.675 -19.298 1.00 0.00 O ATOM 1169 CB ASP A 75 5.780 17.098 -22.237 1.00 0.00 C ATOM 1170 CG ASP A 75 5.420 18.553 -21.877 1.00 0.00 C ATOM 1171 OD1 ASP A 75 6.169 19.472 -22.275 1.00 0.00 O ATOM 1172 OD2 ASP A 75 4.369 18.784 -21.235 1.00 0.00 O ATOM 0 H ASP A 75 6.523 14.720 -22.228 1.00 0.00 H new ATOM 0 HA ASP A 75 7.844 17.135 -21.665 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.047 17.037 -23.292 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.910 16.458 -22.090 1.00 0.00 H new ATOM 1177 N GLU A 76 5.715 16.062 -19.332 1.00 0.00 N ATOM 1178 CA GLU A 76 5.271 16.285 -17.958 1.00 0.00 C ATOM 1179 C GLU A 76 6.420 16.080 -16.969 1.00 0.00 C ATOM 1180 O GLU A 76 6.440 16.735 -15.927 1.00 0.00 O ATOM 1181 CB GLU A 76 4.082 15.382 -17.591 1.00 0.00 C ATOM 1182 CG GLU A 76 2.847 15.653 -18.465 1.00 0.00 C ATOM 1183 CD GLU A 76 1.645 14.786 -18.049 1.00 0.00 C ATOM 1184 OE1 GLU A 76 0.885 15.189 -17.139 1.00 0.00 O ATOM 1185 OE2 GLU A 76 1.434 13.711 -18.655 1.00 0.00 O ATOM 0 H GLU A 76 5.257 15.278 -19.797 1.00 0.00 H new ATOM 0 HA GLU A 76 4.937 17.321 -17.893 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.376 14.338 -17.697 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.823 15.535 -16.543 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.576 16.706 -18.393 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.091 15.457 -19.509 1.00 0.00 H new ATOM 1192 N TRP A 77 7.370 15.195 -17.283 1.00 0.00 N ATOM 1193 CA TRP A 77 8.564 14.985 -16.485 1.00 0.00 C ATOM 1194 C TRP A 77 9.376 16.275 -16.448 1.00 0.00 C ATOM 1195 O TRP A 77 9.583 16.828 -15.365 1.00 0.00 O ATOM 1196 CB TRP A 77 9.359 13.798 -17.053 1.00 0.00 C ATOM 1197 CG TRP A 77 10.774 13.650 -16.587 1.00 0.00 C ATOM 1198 CD1 TRP A 77 11.197 13.697 -15.305 1.00 0.00 C ATOM 1199 CD2 TRP A 77 11.981 13.477 -17.393 1.00 0.00 C ATOM 1200 NE1 TRP A 77 12.571 13.584 -15.260 1.00 0.00 N ATOM 1201 CE2 TRP A 77 13.113 13.476 -16.523 1.00 0.00 C ATOM 1202 CE3 TRP A 77 12.237 13.341 -18.775 1.00 0.00 C ATOM 1203 CZ2 TRP A 77 14.428 13.379 -17.003 1.00 0.00 C ATOM 1204 CZ3 TRP A 77 13.552 13.234 -19.267 1.00 0.00 C ATOM 1205 CH2 TRP A 77 14.648 13.262 -18.385 1.00 0.00 C ATOM 0 H TRP A 77 7.324 14.601 -18.111 1.00 0.00 H new ATOM 0 HA TRP A 77 8.303 14.734 -15.457 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.823 12.881 -16.808 1.00 0.00 H new ATOM 0 HB3 TRP A 77 9.366 13.882 -18.140 1.00 0.00 H new ATOM 0 HD1 TRP A 77 10.555 13.807 -14.443 1.00 0.00 H new ATOM 0 HE1 TRP A 77 13.118 13.581 -14.399 1.00 0.00 H new ATOM 0 HE3 TRP A 77 11.409 13.319 -19.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 15.262 13.394 -16.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 13.721 13.130 -20.329 1.00 0.00 H new ATOM 0 HH2 TRP A 77 15.655 13.194 -18.770 1.00 0.00 H new ATOM 1216 N GLU A 78 9.805 16.789 -17.602 1.00 0.00 N ATOM 1217 CA GLU A 78 10.710 17.934 -17.621 1.00 0.00 C ATOM 1218 C GLU A 78 9.995 19.192 -17.121 1.00 0.00 C ATOM 1219 O GLU A 78 10.563 19.986 -16.372 1.00 0.00 O ATOM 1220 CB GLU A 78 11.295 18.135 -19.025 1.00 0.00 C ATOM 1221 CG GLU A 78 12.195 16.957 -19.430 1.00 0.00 C ATOM 1222 CD GLU A 78 12.931 17.235 -20.754 1.00 0.00 C ATOM 1223 OE1 GLU A 78 12.366 16.988 -21.844 1.00 0.00 O ATOM 1224 OE2 GLU A 78 14.093 17.701 -20.719 1.00 0.00 O ATOM 0 H GLU A 78 9.544 16.435 -18.522 1.00 0.00 H new ATOM 0 HA GLU A 78 11.541 17.736 -16.944 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.485 18.241 -19.747 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.870 19.061 -19.052 1.00 0.00 H new ATOM 0 HG2 GLU A 78 12.923 16.767 -18.641 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.591 16.055 -19.531 1.00 0.00 H new ATOM 1231 N ARG A 79 8.721 19.343 -17.480 1.00 0.00 N ATOM 1232 CA ARG A 79 7.864 20.452 -17.086 1.00 0.00 C ATOM 1233 C ARG A 79 7.746 20.538 -15.568 1.00 0.00 C ATOM 1234 O ARG A 79 7.860 21.635 -15.027 1.00 0.00 O ATOM 1235 CB ARG A 79 6.529 20.213 -17.797 1.00 0.00 C ATOM 1236 CG ARG A 79 5.451 21.298 -17.721 1.00 0.00 C ATOM 1237 CD ARG A 79 4.389 20.864 -18.742 1.00 0.00 C ATOM 1238 NE ARG A 79 3.244 21.776 -18.847 1.00 0.00 N ATOM 1239 CZ ARG A 79 2.306 21.677 -19.801 1.00 0.00 C ATOM 1240 NH1 ARG A 79 2.384 20.729 -20.737 1.00 0.00 N ATOM 1241 NH2 ARG A 79 1.288 22.531 -19.813 1.00 0.00 N ATOM 0 H ARG A 79 8.242 18.668 -18.076 1.00 0.00 H new ATOM 0 HA ARG A 79 8.269 21.421 -17.379 1.00 0.00 H new ATOM 0 HB2 ARG A 79 6.743 20.033 -18.850 1.00 0.00 H new ATOM 0 HB3 ARG A 79 6.101 19.294 -17.397 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.030 21.369 -16.718 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.858 22.279 -17.966 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.859 20.775 -19.722 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.025 19.873 -18.471 1.00 0.00 H new ATOM 0 HE ARG A 79 3.157 22.524 -18.159 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.163 20.070 -20.732 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.665 20.663 -21.457 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.223 23.257 -19.099 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.572 22.461 -20.536 1.00 0.00 H new ATOM 1255 N GLN A 80 7.574 19.407 -14.873 1.00 0.00 N ATOM 1256 CA GLN A 80 7.596 19.388 -13.419 1.00 0.00 C ATOM 1257 C GLN A 80 9.010 19.684 -12.910 1.00 0.00 C ATOM 1258 O GLN A 80 9.167 20.531 -12.034 1.00 0.00 O ATOM 1259 CB GLN A 80 7.060 18.048 -12.880 1.00 0.00 C ATOM 1260 CG GLN A 80 5.534 17.972 -13.031 1.00 0.00 C ATOM 1261 CD GLN A 80 4.978 16.582 -12.723 1.00 0.00 C ATOM 1262 OE1 GLN A 80 4.631 16.257 -11.591 1.00 0.00 O ATOM 1263 NE2 GLN A 80 4.866 15.742 -13.738 1.00 0.00 N ATOM 0 H GLN A 80 7.418 18.495 -15.302 1.00 0.00 H new ATOM 0 HA GLN A 80 6.936 20.170 -13.045 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.525 17.222 -13.418 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.332 17.938 -11.830 1.00 0.00 H new ATOM 0 HG2 GLN A 80 5.071 18.700 -12.365 1.00 0.00 H new ATOM 0 HG3 GLN A 80 5.260 18.251 -14.048 1.00 0.00 H new ATOM 0 HE21 GLN A 80 5.159 16.029 -14.672 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.486 14.807 -13.587 1.00 0.00 H new ATOM 1272 N CYS A 81 10.049 19.052 -13.467 1.00 0.00 N ATOM 1273 CA CYS A 81 11.423 19.204 -12.978 1.00 0.00 C ATOM 1274 C CYS A 81 11.912 20.654 -13.020 1.00 0.00 C ATOM 1275 O CYS A 81 12.674 21.066 -12.147 1.00 0.00 O ATOM 1276 CB CYS A 81 12.377 18.320 -13.783 1.00 0.00 C ATOM 1277 SG CYS A 81 12.017 16.572 -13.452 1.00 0.00 S ATOM 0 H CYS A 81 9.962 18.424 -14.266 1.00 0.00 H new ATOM 0 HA CYS A 81 11.416 18.891 -11.934 1.00 0.00 H new ATOM 0 HB2 CYS A 81 12.270 18.528 -14.848 1.00 0.00 H new ATOM 0 HB3 CYS A 81 13.410 18.546 -13.516 1.00 0.00 H new ATOM 0 HG CYS A 81 10.973 16.207 -14.135 1.00 0.00 H new ATOM 1283 N LYS A 82 11.459 21.445 -13.995 1.00 0.00 N ATOM 1284 CA LYS A 82 11.837 22.844 -14.144 1.00 0.00 C ATOM 1285 C LYS A 82 11.390 23.658 -12.936 1.00 0.00 C ATOM 1286 O LYS A 82 12.021 24.667 -12.622 1.00 0.00 O ATOM 1287 CB LYS A 82 11.247 23.406 -15.448 1.00 0.00 C ATOM 1288 CG LYS A 82 12.044 22.939 -16.680 1.00 0.00 C ATOM 1289 CD LYS A 82 11.247 23.165 -17.970 1.00 0.00 C ATOM 1290 CE LYS A 82 12.094 22.822 -19.202 1.00 0.00 C ATOM 1291 NZ LYS A 82 11.349 23.051 -20.465 1.00 0.00 N ATOM 0 H LYS A 82 10.809 21.122 -14.712 1.00 0.00 H new ATOM 0 HA LYS A 82 12.923 22.914 -14.199 1.00 0.00 H new ATOM 0 HB2 LYS A 82 10.209 23.089 -15.544 1.00 0.00 H new ATOM 0 HB3 LYS A 82 11.245 24.495 -15.407 1.00 0.00 H new ATOM 0 HG2 LYS A 82 12.989 23.480 -16.733 1.00 0.00 H new ATOM 0 HG3 LYS A 82 12.288 21.881 -16.580 1.00 0.00 H new ATOM 0 HD2 LYS A 82 10.347 22.550 -17.959 1.00 0.00 H new ATOM 0 HD3 LYS A 82 10.922 24.204 -18.025 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.000 23.428 -19.200 1.00 0.00 H new ATOM 0 HE3 LYS A 82 12.407 21.779 -19.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 11.985 22.906 -21.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 10.554 22.383 -20.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.985 24.025 -20.481 1.00 0.00 H new ATOM 1305 N VAL A 83 10.342 23.234 -12.227 1.00 0.00 N ATOM 1306 CA VAL A 83 9.847 23.965 -11.075 1.00 0.00 C ATOM 1307 C VAL A 83 10.904 23.984 -9.956 1.00 0.00 C ATOM 1308 O VAL A 83 11.019 24.988 -9.254 1.00 0.00 O ATOM 1309 CB VAL A 83 8.484 23.396 -10.619 1.00 0.00 C ATOM 1310 CG1 VAL A 83 7.881 24.205 -9.460 1.00 0.00 C ATOM 1311 CG2 VAL A 83 7.455 23.400 -11.764 1.00 0.00 C ATOM 0 H VAL A 83 9.822 22.382 -12.438 1.00 0.00 H new ATOM 0 HA VAL A 83 9.670 25.005 -11.351 1.00 0.00 H new ATOM 0 HB VAL A 83 8.688 22.375 -10.295 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.924 23.770 -9.172 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.561 24.183 -8.608 1.00 0.00 H new ATOM 0 HG13 VAL A 83 7.730 25.237 -9.777 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.510 22.993 -11.405 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.301 24.422 -12.112 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.824 22.788 -12.587 1.00 0.00 H new ATOM 1321 N ALA A 84 11.729 22.933 -9.832 1.00 0.00 N ATOM 1322 CA ALA A 84 12.763 22.816 -8.801 1.00 0.00 C ATOM 1323 C ALA A 84 13.773 23.973 -8.838 1.00 0.00 C ATOM 1324 O ALA A 84 14.327 24.328 -7.797 1.00 0.00 O ATOM 1325 CB ALA A 84 13.489 21.476 -8.969 1.00 0.00 C ATOM 0 H ALA A 84 11.693 22.128 -10.458 1.00 0.00 H new ATOM 0 HA ALA A 84 12.270 22.863 -7.830 1.00 0.00 H new ATOM 0 HB1 ALA A 84 14.260 21.382 -8.205 1.00 0.00 H new ATOM 0 HB2 ALA A 84 12.774 20.660 -8.866 1.00 0.00 H new ATOM 0 HB3 ALA A 84 13.949 21.433 -9.956 1.00 0.00 H new ATOM 1331 N GLY A 85 13.999 24.575 -10.011 1.00 0.00 N ATOM 1332 CA GLY A 85 14.918 25.695 -10.195 1.00 0.00 C ATOM 1333 C GLY A 85 14.226 26.938 -10.757 1.00 0.00 C ATOM 1334 O GLY A 85 14.913 27.888 -11.133 1.00 0.00 O ATOM 0 H GLY A 85 13.537 24.289 -10.874 1.00 0.00 H new ATOM 0 HA2 GLY A 85 15.380 25.942 -9.239 1.00 0.00 H new ATOM 0 HA3 GLY A 85 15.721 25.395 -10.869 1.00 0.00 H new ATOM 1338 N LYS A 86 12.883 26.942 -10.820 1.00 0.00 N ATOM 1339 CA LYS A 86 12.066 27.942 -11.523 1.00 0.00 C ATOM 1340 C LYS A 86 12.648 28.215 -12.918 1.00 0.00 C ATOM 1341 O LYS A 86 12.721 29.359 -13.372 1.00 0.00 O ATOM 1342 CB LYS A 86 11.880 29.207 -10.656 1.00 0.00 C ATOM 1343 CG LYS A 86 11.344 28.945 -9.236 1.00 0.00 C ATOM 1344 CD LYS A 86 9.928 28.342 -9.204 1.00 0.00 C ATOM 1345 CE LYS A 86 9.537 27.894 -7.788 1.00 0.00 C ATOM 1346 NZ LYS A 86 9.423 29.017 -6.823 1.00 0.00 N ATOM 0 H LYS A 86 12.319 26.223 -10.367 1.00 0.00 H new ATOM 0 HA LYS A 86 11.061 27.552 -11.685 1.00 0.00 H new ATOM 0 HB2 LYS A 86 12.838 29.721 -10.578 1.00 0.00 H new ATOM 0 HB3 LYS A 86 11.196 29.884 -11.168 1.00 0.00 H new ATOM 0 HG2 LYS A 86 12.027 28.271 -8.719 1.00 0.00 H new ATOM 0 HG3 LYS A 86 11.341 29.883 -8.681 1.00 0.00 H new ATOM 0 HD2 LYS A 86 9.210 29.078 -9.565 1.00 0.00 H new ATOM 0 HD3 LYS A 86 9.879 27.490 -9.882 1.00 0.00 H new ATOM 0 HE2 LYS A 86 8.585 27.365 -7.832 1.00 0.00 H new ATOM 0 HE3 LYS A 86 10.279 27.184 -7.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 9.376 28.640 -5.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 10.253 29.638 -6.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 8.560 29.561 -7.024 1.00 0.00 H new ATOM 1360 N THR A 87 13.109 27.150 -13.573 1.00 0.00 N ATOM 1361 CA THR A 87 13.896 27.191 -14.790 1.00 0.00 C ATOM 1362 C THR A 87 13.057 27.690 -15.980 1.00 0.00 C ATOM 1363 O THR A 87 13.608 28.226 -16.945 1.00 0.00 O ATOM 1364 CB THR A 87 14.488 25.785 -15.016 1.00 0.00 C ATOM 1365 OG1 THR A 87 14.953 25.246 -13.785 1.00 0.00 O ATOM 1366 CG2 THR A 87 15.657 25.784 -16.006 1.00 0.00 C ATOM 0 H THR A 87 12.933 26.198 -13.251 1.00 0.00 H new ATOM 0 HA THR A 87 14.713 27.906 -14.697 1.00 0.00 H new ATOM 0 HB THR A 87 13.684 25.179 -15.433 1.00 0.00 H new ATOM 0 HG1 THR A 87 15.325 24.353 -13.939 1.00 0.00 H new ATOM 0 HG21 THR A 87 16.032 24.768 -16.125 1.00 0.00 H new ATOM 0 HG22 THR A 87 15.317 26.160 -16.971 1.00 0.00 H new ATOM 0 HG23 THR A 87 16.455 26.423 -15.628 1.00 0.00 H new ATOM 1374 N GLN A 88 11.727 27.564 -15.902 1.00 0.00 N ATOM 1375 CA GLN A 88 10.769 28.102 -16.851 1.00 0.00 C ATOM 1376 C GLN A 88 9.528 28.487 -16.048 1.00 0.00 C ATOM 1377 O GLN A 88 9.179 27.743 -15.106 1.00 0.00 O ATOM 1378 CB GLN A 88 10.462 27.050 -17.933 1.00 0.00 C ATOM 1379 CG GLN A 88 9.645 27.608 -19.108 1.00 0.00 C ATOM 1380 CD GLN A 88 9.368 26.562 -20.198 1.00 0.00 C ATOM 1381 OE1 GLN A 88 10.095 25.583 -20.367 1.00 0.00 O ATOM 1382 NE2 GLN A 88 8.305 26.736 -20.965 1.00 0.00 N ATOM 1383 OXT GLN A 88 8.936 29.549 -16.328 1.00 0.00 O ATOM 0 H GLN A 88 11.278 27.060 -15.138 1.00 0.00 H new ATOM 0 HA GLN A 88 11.154 28.978 -17.372 1.00 0.00 H new ATOM 0 HB2 GLN A 88 11.400 26.644 -18.312 1.00 0.00 H new ATOM 0 HB3 GLN A 88 9.916 26.222 -17.481 1.00 0.00 H new ATOM 0 HG2 GLN A 88 8.697 27.994 -18.733 1.00 0.00 H new ATOM 0 HG3 GLN A 88 10.180 28.450 -19.548 1.00 0.00 H new ATOM 0 HE21 GLN A 88 7.702 27.547 -20.825 1.00 0.00 H new ATOM 0 HE22 GLN A 88 8.088 26.059 -21.696 1.00 0.00 H new TER 1392 GLN A 88