USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 962 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 103 SER OG : rot 70:sc= 0.0489 USER MOD Set 1.2: A 109 GLN : amide:sc= -1.03 X(o=-0.98,f=-1.4) USER MOD Set 2.1: A 65 SER OG : rot 140:sc= -0.249 USER MOD Set 2.2: A 102 TYR OH : rot 143:sc= -0.536! USER MOD Set 3.1: A 57 THR OG1 : rot 180:sc= 0.547 USER MOD Set 3.2: A 84 THR OG1 : rot -86:sc= 0.595 USER MOD Set 4.1: A 52 SER OG : rot 180:sc= -0.887 USER MOD Set 4.2: A 88 LYS NZ :NH3+ 175:sc= 1.11 (180deg=1.09) USER MOD Set 5.1: A 12 THR OG1 : rot 180:sc= 0.0733 USER MOD Set 5.2: A 32 SER OG : rot -104:sc= -0.43 USER MOD Set 6.1: A 17 TYR OH : rot -168:sc= 0.959 USER MOD Set 6.2: A 29 HIS : no HE2:sc= 0.806 K(o=1.8,f=-0.75) USER MOD Set 7.1: A 16 HIS : no HD1:sc= 1.27 K(o=2.2,f=-4.3) USER MOD Set 7.2: A 99 THR OG1 : rot -38:sc= 0.972 USER MOD Single : A 1 MET CE :methyl 159:sc= 0 (180deg=-0.35) USER MOD Single : A 1 MET N :NH3+ 140:sc= 0.0221 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -1.28 K(o=-1.3,f=-4.9!) USER MOD Single : A 13 GLN : amide:sc= -3.55! K(o=-3.6!,f=-2.1) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= -0.449 USER MOD Single : A 26 HIS : no HD1:sc= -0.0169 X(o=-0.017,f=-0.017) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.175 K(o=-0.18,f=-2.2!) USER MOD Single : A 38 SER OG : rot 123:sc= 0.0426 USER MOD Single : A 40 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00447) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0.516 K(o=0.52,f=0) USER MOD Single : A 47 LYS NZ :NH3+ -111:sc= -0.239 (180deg=-1.94!) USER MOD Single : A 53 LYS NZ :NH3+ -172:sc=-0.000143 (180deg=-0.0881) USER MOD Single : A 55 SER OG : rot 24:sc= 0.075 USER MOD Single : A 58 GLN : amide:sc= -1.29 K(o=-1.3,f=-4.4!) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.299 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -140:sc= -0.16 USER MOD Single : A 75 LYS NZ :NH3+ 160:sc= 0.793 (180deg=0.571) USER MOD Single : A 77 MET CE :methyl -129:sc= 0 (180deg=-1.36) USER MOD Single : A 87 SER OG : rot 156:sc= 0.195 USER MOD Single : A 89 ASN : amide:sc= -0.297 K(o=-0.3,f=-5.7!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -2.97! K(o=-3!,f=-4.5) USER MOD Single : A 95 ASN : amide:sc= -0.133 K(o=-0.13,f=-4.6!) USER MOD Single : A 105 ASN : amide:sc= -1.25 K(o=-1.2,f=-4.7!) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000922) USER MOD Single : A 117 HIS : no HD1:sc= -0.026 X(o=-0.026,f=0.002) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 119 HIS : no HE2:sc= 0.119 K(o=0.12,f=-0.71) USER MOD Single : A 120 HIS : no HD1:sc= -0.572 X(o=-0.57,f=-0.44) USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 122 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.720 -28.714 2.059 1.00 0.00 N ATOM 2 CA MET A 1 20.246 -28.836 1.992 1.00 0.00 C ATOM 3 C MET A 1 19.604 -27.450 1.949 1.00 0.00 C ATOM 4 O MET A 1 20.072 -26.523 2.604 1.00 0.00 O ATOM 5 CB MET A 1 19.701 -29.648 3.191 1.00 0.00 C ATOM 6 CG MET A 1 18.189 -29.918 3.123 1.00 0.00 C ATOM 7 SD MET A 1 17.711 -30.691 1.557 1.00 0.00 S ATOM 8 CE MET A 1 15.916 -30.676 1.646 1.00 0.00 C ATOM 0 H1 MET A 1 22.098 -29.428 2.714 1.00 0.00 H new ATOM 0 H2 MET A 1 22.124 -28.864 1.113 1.00 0.00 H new ATOM 0 H3 MET A 1 21.975 -27.764 2.397 1.00 0.00 H new ATOM 0 HA MET A 1 19.989 -29.372 1.078 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.229 -30.600 3.242 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.923 -29.110 4.113 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.898 -30.565 3.951 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.647 -28.980 3.245 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.501 -30.764 0.642 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.575 -31.514 2.254 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.582 -29.741 2.096 1.00 0.00 H new ATOM 20 N ILE A 2 18.523 -27.326 1.174 1.00 0.00 N ATOM 21 CA ILE A 2 17.824 -26.058 0.929 1.00 0.00 C ATOM 22 C ILE A 2 16.327 -26.237 1.261 1.00 0.00 C ATOM 23 O ILE A 2 15.804 -27.350 1.177 1.00 0.00 O ATOM 24 CB ILE A 2 18.003 -25.631 -0.587 1.00 0.00 C ATOM 25 CG1 ILE A 2 19.516 -25.505 -0.982 1.00 0.00 C ATOM 26 CG2 ILE A 2 17.242 -24.331 -0.911 1.00 0.00 C ATOM 27 CD1 ILE A 2 20.287 -24.368 -0.311 1.00 0.00 C ATOM 0 H ILE A 2 18.100 -28.118 0.690 1.00 0.00 H new ATOM 0 HA ILE A 2 18.243 -25.276 1.562 1.00 0.00 H new ATOM 0 HB ILE A 2 17.567 -26.428 -1.189 1.00 0.00 H new ATOM 0 HG12 ILE A 2 20.013 -26.445 -0.745 1.00 0.00 H new ATOM 0 HG13 ILE A 2 19.580 -25.374 -2.062 1.00 0.00 H new ATOM 0 HG21 ILE A 2 17.391 -24.074 -1.960 1.00 0.00 H new ATOM 0 HG22 ILE A 2 16.178 -24.475 -0.720 1.00 0.00 H new ATOM 0 HG23 ILE A 2 17.617 -23.523 -0.282 1.00 0.00 H new ATOM 0 HD11 ILE A 2 21.321 -24.376 -0.657 1.00 0.00 H new ATOM 0 HD12 ILE A 2 19.825 -23.414 -0.567 1.00 0.00 H new ATOM 0 HD13 ILE A 2 20.265 -24.502 0.770 1.00 0.00 H new ATOM 39 N GLU A 3 15.654 -25.143 1.647 1.00 0.00 N ATOM 40 CA GLU A 3 14.183 -25.101 1.797 1.00 0.00 C ATOM 41 C GLU A 3 13.632 -23.891 1.004 1.00 0.00 C ATOM 42 O GLU A 3 14.381 -22.945 0.770 1.00 0.00 O ATOM 43 CB GLU A 3 13.783 -24.999 3.300 1.00 0.00 C ATOM 44 CG GLU A 3 14.093 -23.642 3.963 1.00 0.00 C ATOM 45 CD GLU A 3 13.546 -23.496 5.396 1.00 0.00 C ATOM 46 OE1 GLU A 3 12.397 -23.896 5.649 1.00 0.00 O ATOM 47 OE2 GLU A 3 14.243 -22.954 6.270 1.00 0.00 O ATOM 0 H GLU A 3 16.111 -24.258 1.866 1.00 0.00 H new ATOM 0 HA GLU A 3 13.753 -26.022 1.403 1.00 0.00 H new ATOM 0 HB2 GLU A 3 12.715 -25.196 3.391 1.00 0.00 H new ATOM 0 HB3 GLU A 3 14.300 -25.784 3.853 1.00 0.00 H new ATOM 0 HG2 GLU A 3 15.173 -23.499 3.983 1.00 0.00 H new ATOM 0 HG3 GLU A 3 13.677 -22.846 3.345 1.00 0.00 H new ATOM 54 N PRO A 4 12.336 -23.895 0.550 1.00 0.00 N ATOM 55 CA PRO A 4 11.710 -22.682 -0.018 1.00 0.00 C ATOM 56 C PRO A 4 11.197 -21.729 1.095 1.00 0.00 C ATOM 57 O PRO A 4 10.467 -22.147 2.002 1.00 0.00 O ATOM 58 CB PRO A 4 10.561 -23.263 -0.874 1.00 0.00 C ATOM 59 CG PRO A 4 10.161 -24.535 -0.190 1.00 0.00 C ATOM 60 CD PRO A 4 11.410 -25.066 0.496 1.00 0.00 C ATOM 0 HA PRO A 4 12.398 -22.066 -0.597 1.00 0.00 H new ATOM 0 HB2 PRO A 4 9.724 -22.568 -0.932 1.00 0.00 H new ATOM 0 HB3 PRO A 4 10.889 -23.453 -1.896 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.368 -24.353 0.535 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.776 -25.258 -0.909 1.00 0.00 H new ATOM 0 HD2 PRO A 4 11.185 -25.440 1.495 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.848 -25.893 -0.063 1.00 0.00 H new ATOM 68 N ILE A 5 11.614 -20.445 1.034 1.00 0.00 N ATOM 69 CA ILE A 5 11.169 -19.402 1.989 1.00 0.00 C ATOM 70 C ILE A 5 10.583 -18.197 1.234 1.00 0.00 C ATOM 71 O ILE A 5 10.723 -18.087 0.009 1.00 0.00 O ATOM 72 CB ILE A 5 12.333 -18.918 2.947 1.00 0.00 C ATOM 73 CG1 ILE A 5 13.533 -18.313 2.150 1.00 0.00 C ATOM 74 CG2 ILE A 5 12.814 -20.060 3.867 1.00 0.00 C ATOM 75 CD1 ILE A 5 14.674 -17.766 3.012 1.00 0.00 C ATOM 0 H ILE A 5 12.264 -20.102 0.327 1.00 0.00 H new ATOM 0 HA ILE A 5 10.399 -19.856 2.613 1.00 0.00 H new ATOM 0 HB ILE A 5 11.919 -18.126 3.571 1.00 0.00 H new ATOM 0 HG12 ILE A 5 13.934 -19.081 1.488 1.00 0.00 H new ATOM 0 HG13 ILE A 5 13.160 -17.509 1.516 1.00 0.00 H new ATOM 0 HG21 ILE A 5 13.613 -19.695 4.512 1.00 0.00 H new ATOM 0 HG22 ILE A 5 11.983 -20.408 4.480 1.00 0.00 H new ATOM 0 HG23 ILE A 5 13.186 -20.885 3.259 1.00 0.00 H new ATOM 0 HD11 ILE A 5 15.458 -17.368 2.368 1.00 0.00 H new ATOM 0 HD12 ILE A 5 14.295 -16.972 3.655 1.00 0.00 H new ATOM 0 HD13 ILE A 5 15.082 -18.568 3.627 1.00 0.00 H new ATOM 87 N LYS A 6 9.923 -17.297 1.981 1.00 0.00 N ATOM 88 CA LYS A 6 9.394 -16.025 1.441 1.00 0.00 C ATOM 89 C LYS A 6 9.214 -15.010 2.576 1.00 0.00 C ATOM 90 O LYS A 6 8.968 -15.389 3.719 1.00 0.00 O ATOM 91 CB LYS A 6 8.045 -16.197 0.670 1.00 0.00 C ATOM 92 CG LYS A 6 6.770 -16.421 1.533 1.00 0.00 C ATOM 93 CD LYS A 6 6.646 -17.842 2.124 1.00 0.00 C ATOM 94 CE LYS A 6 6.407 -18.899 1.040 1.00 0.00 C ATOM 95 NZ LYS A 6 6.197 -20.269 1.601 1.00 0.00 N ATOM 0 H LYS A 6 9.739 -17.427 2.976 1.00 0.00 H new ATOM 0 HA LYS A 6 10.127 -15.663 0.720 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.889 -15.310 0.056 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.148 -17.042 -0.011 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.766 -15.699 2.349 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.891 -16.216 0.922 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.555 -18.086 2.673 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.825 -17.866 2.840 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.536 -18.616 0.449 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.260 -18.916 0.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.040 -20.942 0.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.038 -20.555 2.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.367 -20.264 2.227 1.00 0.00 H new ATOM 109 N ARG A 7 9.341 -13.721 2.253 1.00 0.00 N ATOM 110 CA ARG A 7 9.015 -12.623 3.182 1.00 0.00 C ATOM 111 C ARG A 7 7.820 -11.832 2.653 1.00 0.00 C ATOM 112 O ARG A 7 7.508 -11.864 1.450 1.00 0.00 O ATOM 113 CB ARG A 7 10.229 -11.682 3.391 1.00 0.00 C ATOM 114 CG ARG A 7 11.353 -12.270 4.273 1.00 0.00 C ATOM 115 CD ARG A 7 12.543 -11.306 4.437 1.00 0.00 C ATOM 116 NE ARG A 7 13.692 -11.914 5.140 1.00 0.00 N ATOM 117 CZ ARG A 7 14.889 -11.311 5.321 1.00 0.00 C ATOM 118 NH1 ARG A 7 15.103 -10.073 4.863 1.00 0.00 N ATOM 119 NH2 ARG A 7 15.860 -11.955 5.959 1.00 0.00 N ATOM 0 H ARG A 7 9.672 -13.403 1.342 1.00 0.00 H new ATOM 0 HA ARG A 7 8.760 -13.060 4.148 1.00 0.00 H new ATOM 0 HB2 ARG A 7 10.646 -11.426 2.417 1.00 0.00 H new ATOM 0 HB3 ARG A 7 9.879 -10.753 3.842 1.00 0.00 H new ATOM 0 HG2 ARG A 7 10.949 -12.513 5.256 1.00 0.00 H new ATOM 0 HG3 ARG A 7 11.704 -13.203 3.833 1.00 0.00 H new ATOM 0 HD2 ARG A 7 12.866 -10.967 3.453 1.00 0.00 H new ATOM 0 HD3 ARG A 7 12.215 -10.424 4.986 1.00 0.00 H new ATOM 0 HE ARG A 7 13.574 -12.855 5.515 1.00 0.00 H new ATOM 0 HH11 ARG A 7 14.360 -9.575 4.372 1.00 0.00 H new ATOM 0 HH12 ARG A 7 16.009 -9.626 5.004 1.00 0.00 H new ATOM 0 HH21 ARG A 7 15.701 -12.900 6.310 1.00 0.00 H new ATOM 0 HH22 ARG A 7 16.765 -11.505 6.098 1.00 0.00 H new ATOM 133 N THR A 8 7.169 -11.108 3.565 1.00 0.00 N ATOM 134 CA THR A 8 5.985 -10.309 3.273 1.00 0.00 C ATOM 135 C THR A 8 6.343 -8.827 3.454 1.00 0.00 C ATOM 136 O THR A 8 6.672 -8.402 4.563 1.00 0.00 O ATOM 137 CB THR A 8 4.822 -10.719 4.240 1.00 0.00 C ATOM 138 OG1 THR A 8 4.630 -12.141 4.192 1.00 0.00 O ATOM 139 CG2 THR A 8 3.500 -10.021 3.903 1.00 0.00 C ATOM 0 H THR A 8 7.457 -11.062 4.542 1.00 0.00 H new ATOM 0 HA THR A 8 5.653 -10.479 2.249 1.00 0.00 H new ATOM 0 HB THR A 8 5.115 -10.404 5.242 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.903 -12.394 4.799 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.730 -10.342 4.604 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.630 -8.941 3.976 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.199 -10.283 2.889 1.00 0.00 H new ATOM 147 N GLN A 9 6.341 -8.063 2.359 1.00 0.00 N ATOM 148 CA GLN A 9 6.502 -6.609 2.398 1.00 0.00 C ATOM 149 C GLN A 9 5.176 -5.971 2.004 1.00 0.00 C ATOM 150 O GLN A 9 4.846 -5.890 0.817 1.00 0.00 O ATOM 151 CB GLN A 9 7.654 -6.150 1.466 1.00 0.00 C ATOM 152 CG GLN A 9 7.950 -4.622 1.421 1.00 0.00 C ATOM 153 CD GLN A 9 8.362 -3.975 2.767 1.00 0.00 C ATOM 154 OE1 GLN A 9 7.896 -4.358 3.837 1.00 0.00 O ATOM 155 NE2 GLN A 9 9.272 -3.014 2.728 1.00 0.00 N ATOM 0 H GLN A 9 6.227 -8.438 1.417 1.00 0.00 H new ATOM 0 HA GLN A 9 6.772 -6.292 3.405 1.00 0.00 H new ATOM 0 HB2 GLN A 9 8.565 -6.664 1.772 1.00 0.00 H new ATOM 0 HB3 GLN A 9 7.425 -6.482 0.453 1.00 0.00 H new ATOM 0 HG2 GLN A 9 8.745 -4.446 0.697 1.00 0.00 H new ATOM 0 HG3 GLN A 9 7.062 -4.110 1.050 1.00 0.00 H new ATOM 0 HE21 GLN A 9 9.650 -2.706 1.832 1.00 0.00 H new ATOM 0 HE22 GLN A 9 9.595 -2.582 3.594 1.00 0.00 H new ATOM 164 N VAL A 10 4.391 -5.563 3.006 1.00 0.00 N ATOM 165 CA VAL A 10 3.111 -4.911 2.764 1.00 0.00 C ATOM 166 C VAL A 10 3.338 -3.404 2.632 1.00 0.00 C ATOM 167 O VAL A 10 4.109 -2.813 3.394 1.00 0.00 O ATOM 168 CB VAL A 10 2.045 -5.219 3.890 1.00 0.00 C ATOM 169 CG1 VAL A 10 1.731 -6.727 3.954 1.00 0.00 C ATOM 170 CG2 VAL A 10 2.483 -4.689 5.276 1.00 0.00 C ATOM 0 H VAL A 10 4.625 -5.675 3.992 1.00 0.00 H new ATOM 0 HA VAL A 10 2.699 -5.312 1.838 1.00 0.00 H new ATOM 0 HB VAL A 10 1.134 -4.686 3.618 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.995 -6.913 4.736 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.332 -7.057 2.995 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.644 -7.280 4.176 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.717 -4.926 6.015 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.423 -5.159 5.565 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.618 -3.608 5.226 1.00 0.00 H new ATOM 180 N VAL A 11 2.745 -2.800 1.603 1.00 0.00 N ATOM 181 CA VAL A 11 2.712 -1.343 1.472 1.00 0.00 C ATOM 182 C VAL A 11 1.399 -0.894 2.105 1.00 0.00 C ATOM 183 O VAL A 11 0.331 -1.163 1.564 1.00 0.00 O ATOM 184 CB VAL A 11 2.846 -0.895 -0.031 1.00 0.00 C ATOM 185 CG1 VAL A 11 2.898 0.645 -0.176 1.00 0.00 C ATOM 186 CG2 VAL A 11 4.082 -1.553 -0.674 1.00 0.00 C ATOM 0 H VAL A 11 2.279 -3.299 0.845 1.00 0.00 H new ATOM 0 HA VAL A 11 3.557 -0.875 1.977 1.00 0.00 H new ATOM 0 HB VAL A 11 1.954 -1.232 -0.559 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.991 0.908 -1.230 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.983 1.080 0.228 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.757 1.033 0.372 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.164 -1.235 -1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.978 -1.252 -0.131 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.980 -2.637 -0.633 1.00 0.00 H new ATOM 196 N THR A 12 1.481 -0.304 3.301 1.00 0.00 N ATOM 197 CA THR A 12 0.295 -0.001 4.101 1.00 0.00 C ATOM 198 C THR A 12 -0.034 1.494 4.016 1.00 0.00 C ATOM 199 O THR A 12 0.567 2.318 4.705 1.00 0.00 O ATOM 200 CB THR A 12 0.549 -0.440 5.582 1.00 0.00 C ATOM 201 OG1 THR A 12 0.992 -1.805 5.597 1.00 0.00 O ATOM 202 CG2 THR A 12 -0.700 -0.332 6.452 1.00 0.00 C ATOM 0 H THR A 12 2.361 -0.027 3.736 1.00 0.00 H new ATOM 0 HA THR A 12 -0.562 -0.552 3.713 1.00 0.00 H new ATOM 0 HB THR A 12 1.303 0.233 5.992 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.154 -2.086 6.522 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.464 -0.649 7.468 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.046 0.702 6.466 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.483 -0.971 6.045 1.00 0.00 H new ATOM 210 N GLN A 13 -1.001 1.823 3.161 1.00 0.00 N ATOM 211 CA GLN A 13 -1.441 3.201 2.925 1.00 0.00 C ATOM 212 C GLN A 13 -2.638 3.560 3.796 1.00 0.00 C ATOM 213 O GLN A 13 -3.617 2.814 3.848 1.00 0.00 O ATOM 214 CB GLN A 13 -1.781 3.406 1.430 1.00 0.00 C ATOM 215 CG GLN A 13 -0.545 3.402 0.510 1.00 0.00 C ATOM 216 CD GLN A 13 -0.814 3.871 -0.919 1.00 0.00 C ATOM 217 OE1 GLN A 13 -0.105 3.497 -1.843 1.00 0.00 O ATOM 218 NE2 GLN A 13 -1.804 4.726 -1.110 1.00 0.00 N ATOM 0 H GLN A 13 -1.508 1.134 2.605 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.621 3.866 3.197 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -2.464 2.619 1.110 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.308 4.353 1.312 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.221 4.041 0.950 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.137 2.392 0.476 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.381 5.022 -0.323 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.991 5.089 -2.045 1.00 0.00 H new ATOM 227 N THR A 14 -2.562 4.720 4.459 1.00 0.00 N ATOM 228 CA THR A 14 -3.651 5.220 5.301 1.00 0.00 C ATOM 229 C THR A 14 -4.404 6.343 4.565 1.00 0.00 C ATOM 230 O THR A 14 -3.886 7.458 4.414 1.00 0.00 O ATOM 231 CB THR A 14 -3.094 5.726 6.672 1.00 0.00 C ATOM 232 OG1 THR A 14 -2.340 4.672 7.298 1.00 0.00 O ATOM 233 CG2 THR A 14 -4.216 6.187 7.620 1.00 0.00 C ATOM 0 H THR A 14 -1.748 5.334 4.426 1.00 0.00 H new ATOM 0 HA THR A 14 -4.349 4.407 5.503 1.00 0.00 H new ATOM 0 HB THR A 14 -2.455 6.587 6.474 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.988 4.987 8.157 1.00 0.00 H new ATOM 0 HG21 THR A 14 -3.781 6.530 8.559 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.770 7.004 7.158 1.00 0.00 H new ATOM 0 HG23 THR A 14 -4.892 5.355 7.816 1.00 0.00 H new ATOM 241 N ILE A 15 -5.609 6.022 4.072 1.00 0.00 N ATOM 242 CA ILE A 15 -6.545 7.002 3.523 1.00 0.00 C ATOM 243 C ILE A 15 -7.458 7.482 4.664 1.00 0.00 C ATOM 244 O ILE A 15 -8.012 6.663 5.437 1.00 0.00 O ATOM 245 CB ILE A 15 -7.398 6.423 2.304 1.00 0.00 C ATOM 246 CG1 ILE A 15 -6.563 6.392 0.971 1.00 0.00 C ATOM 247 CG2 ILE A 15 -8.718 7.216 2.081 1.00 0.00 C ATOM 248 CD1 ILE A 15 -5.333 5.482 0.964 1.00 0.00 C ATOM 0 H ILE A 15 -5.960 5.065 4.045 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.979 7.838 3.113 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.658 5.400 2.576 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -7.223 6.082 0.161 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.238 7.408 0.747 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.264 6.785 1.242 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.332 7.161 2.980 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.484 8.258 1.865 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.840 5.544 -0.006 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.641 5.800 1.744 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.641 4.453 1.149 1.00 0.00 H new ATOM 260 N HIS A 16 -7.585 8.812 4.784 1.00 0.00 N ATOM 261 CA HIS A 16 -8.469 9.437 5.761 1.00 0.00 C ATOM 262 C HIS A 16 -9.361 10.473 5.088 1.00 0.00 C ATOM 263 O HIS A 16 -8.924 11.241 4.217 1.00 0.00 O ATOM 264 CB HIS A 16 -7.687 10.047 6.947 1.00 0.00 C ATOM 265 CG HIS A 16 -6.702 11.132 6.654 1.00 0.00 C ATOM 266 ND1 HIS A 16 -6.837 12.412 7.149 1.00 0.00 N ATOM 267 CD2 HIS A 16 -5.505 11.105 6.042 1.00 0.00 C ATOM 268 CE1 HIS A 16 -5.771 13.114 6.863 1.00 0.00 C ATOM 269 NE2 HIS A 16 -4.951 12.348 6.188 1.00 0.00 N ATOM 0 H HIS A 16 -7.075 9.478 4.204 1.00 0.00 H new ATOM 0 HA HIS A 16 -9.106 8.656 6.177 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.413 10.439 7.660 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -7.154 9.238 7.447 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -5.064 10.262 5.532 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -5.598 14.145 7.136 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -4.041 12.633 5.827 1.00 0.00 H new ATOM 278 N TYR A 17 -10.619 10.465 5.511 1.00 0.00 N ATOM 279 CA TYR A 17 -11.686 11.273 4.944 1.00 0.00 C ATOM 280 C TYR A 17 -11.818 12.555 5.754 1.00 0.00 C ATOM 281 O TYR A 17 -12.050 12.497 6.958 1.00 0.00 O ATOM 282 CB TYR A 17 -12.985 10.432 4.987 1.00 0.00 C ATOM 283 CG TYR A 17 -12.845 9.092 4.239 1.00 0.00 C ATOM 284 CD1 TYR A 17 -12.714 9.070 2.858 1.00 0.00 C ATOM 285 CD2 TYR A 17 -12.780 7.866 4.909 1.00 0.00 C ATOM 286 CE1 TYR A 17 -12.539 7.897 2.161 1.00 0.00 C ATOM 287 CE2 TYR A 17 -12.600 6.687 4.212 1.00 0.00 C ATOM 288 CZ TYR A 17 -12.477 6.713 2.837 1.00 0.00 C ATOM 289 OH TYR A 17 -12.314 5.544 2.134 1.00 0.00 O ATOM 0 H TYR A 17 -10.932 9.876 6.283 1.00 0.00 H new ATOM 0 HA TYR A 17 -11.478 11.552 3.911 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -13.255 10.238 6.025 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.801 11.006 4.548 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -12.751 10.002 2.314 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -12.872 7.841 5.985 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.451 7.913 1.085 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -12.556 5.747 4.742 1.00 0.00 H new ATOM 0 HH TYR A 17 -12.480 4.781 2.726 1.00 0.00 H new ATOM 299 N ARG A 18 -11.629 13.708 5.111 1.00 0.00 N ATOM 300 CA ARG A 18 -11.601 14.998 5.814 1.00 0.00 C ATOM 301 C ARG A 18 -12.220 16.106 4.961 1.00 0.00 C ATOM 302 O ARG A 18 -11.934 16.224 3.777 1.00 0.00 O ATOM 303 CB ARG A 18 -10.138 15.335 6.208 1.00 0.00 C ATOM 304 CG ARG A 18 -9.988 16.584 7.107 1.00 0.00 C ATOM 305 CD ARG A 18 -8.635 16.629 7.836 1.00 0.00 C ATOM 306 NE ARG A 18 -8.527 17.760 8.779 1.00 0.00 N ATOM 307 CZ ARG A 18 -7.378 18.277 9.268 1.00 0.00 C ATOM 308 NH1 ARG A 18 -6.184 17.782 8.903 1.00 0.00 N ATOM 309 NH2 ARG A 18 -7.438 19.308 10.113 1.00 0.00 N ATOM 0 H ARG A 18 -11.492 13.778 4.103 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.202 14.924 6.720 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -9.707 14.477 6.725 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -9.556 15.485 5.299 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.098 17.481 6.498 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -10.793 16.597 7.842 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.489 15.695 8.379 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.834 16.698 7.100 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.398 18.190 9.089 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.134 17.003 8.246 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.327 18.185 9.282 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.343 19.695 10.382 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.579 19.709 10.490 1.00 0.00 H new ATOM 323 N TYR A 19 -13.072 16.903 5.597 1.00 0.00 N ATOM 324 CA TYR A 19 -13.784 18.018 4.974 1.00 0.00 C ATOM 325 C TYR A 19 -12.842 19.199 4.644 1.00 0.00 C ATOM 326 O TYR A 19 -11.758 19.321 5.217 1.00 0.00 O ATOM 327 CB TYR A 19 -14.896 18.502 5.919 1.00 0.00 C ATOM 328 CG TYR A 19 -15.943 17.451 6.307 1.00 0.00 C ATOM 329 CD1 TYR A 19 -17.016 17.157 5.469 1.00 0.00 C ATOM 330 CD2 TYR A 19 -15.881 16.780 7.529 1.00 0.00 C ATOM 331 CE1 TYR A 19 -17.979 16.239 5.834 1.00 0.00 C ATOM 332 CE2 TYR A 19 -16.838 15.858 7.894 1.00 0.00 C ATOM 333 CZ TYR A 19 -17.887 15.591 7.046 1.00 0.00 C ATOM 334 OH TYR A 19 -18.854 14.679 7.413 1.00 0.00 O ATOM 0 H TYR A 19 -13.294 16.790 6.586 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.207 17.659 4.036 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.434 18.881 6.830 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -15.408 19.341 5.448 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -17.096 17.657 4.515 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -15.064 16.988 8.204 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -18.804 16.029 5.170 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -16.764 15.347 8.843 1.00 0.00 H new ATOM 0 HH TYR A 19 -18.639 14.312 8.296 1.00 0.00 H new ATOM 344 N GLU A 20 -13.336 20.089 3.767 1.00 0.00 N ATOM 345 CA GLU A 20 -12.592 21.245 3.219 1.00 0.00 C ATOM 346 C GLU A 20 -12.094 22.211 4.317 1.00 0.00 C ATOM 347 O GLU A 20 -10.983 22.748 4.234 1.00 0.00 O ATOM 348 CB GLU A 20 -13.509 22.007 2.218 1.00 0.00 C ATOM 349 CG GLU A 20 -14.858 22.460 2.831 1.00 0.00 C ATOM 350 CD GLU A 20 -15.695 23.376 1.931 1.00 0.00 C ATOM 351 OE1 GLU A 20 -15.136 24.341 1.379 1.00 0.00 O ATOM 352 OE2 GLU A 20 -16.913 23.157 1.795 1.00 0.00 O ATOM 0 H GLU A 20 -14.289 20.026 3.408 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.706 20.861 2.714 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.977 22.882 1.845 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.707 21.365 1.360 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.447 21.575 3.074 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.659 22.978 3.769 1.00 0.00 H new ATOM 359 N ASP A 21 -12.935 22.413 5.338 1.00 0.00 N ATOM 360 CA ASP A 21 -12.702 23.385 6.428 1.00 0.00 C ATOM 361 C ASP A 21 -11.646 22.885 7.432 1.00 0.00 C ATOM 362 O ASP A 21 -11.094 23.678 8.207 1.00 0.00 O ATOM 363 CB ASP A 21 -14.043 23.669 7.157 1.00 0.00 C ATOM 364 CG ASP A 21 -14.596 22.452 7.936 1.00 0.00 C ATOM 365 OD1 ASP A 21 -14.757 21.376 7.341 1.00 0.00 O ATOM 366 OD2 ASP A 21 -14.898 22.582 9.141 1.00 0.00 O ATOM 0 H ASP A 21 -13.812 21.901 5.437 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.316 24.304 5.986 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.902 24.499 7.849 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.784 23.988 6.424 1.00 0.00 H new ATOM 371 N GLY A 22 -11.379 21.571 7.409 1.00 0.00 N ATOM 372 CA GLY A 22 -10.400 20.947 8.297 1.00 0.00 C ATOM 373 C GLY A 22 -11.046 20.062 9.354 1.00 0.00 C ATOM 374 O GLY A 22 -10.354 19.556 10.242 1.00 0.00 O ATOM 0 H GLY A 22 -11.837 20.917 6.774 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.706 20.351 7.704 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.814 21.724 8.788 1.00 0.00 H new ATOM 378 N ALA A 23 -12.373 19.861 9.267 1.00 0.00 N ATOM 379 CA ALA A 23 -13.088 18.882 10.107 1.00 0.00 C ATOM 380 C ALA A 23 -12.844 17.475 9.561 1.00 0.00 C ATOM 381 O ALA A 23 -12.834 17.293 8.350 1.00 0.00 O ATOM 382 CB ALA A 23 -14.587 19.194 10.126 1.00 0.00 C ATOM 0 H ALA A 23 -12.976 20.367 8.619 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.714 18.941 11.129 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -15.103 18.464 10.750 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -14.746 20.193 10.531 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -14.981 19.147 9.111 1.00 0.00 H new ATOM 388 N VAL A 24 -12.637 16.487 10.436 1.00 0.00 N ATOM 389 CA VAL A 24 -12.371 15.099 10.012 1.00 0.00 C ATOM 390 C VAL A 24 -13.679 14.291 9.962 1.00 0.00 C ATOM 391 O VAL A 24 -14.472 14.328 10.904 1.00 0.00 O ATOM 392 CB VAL A 24 -11.343 14.396 10.971 1.00 0.00 C ATOM 393 CG1 VAL A 24 -11.016 12.964 10.491 1.00 0.00 C ATOM 394 CG2 VAL A 24 -10.064 15.252 11.121 1.00 0.00 C ATOM 0 H VAL A 24 -12.648 16.618 11.447 1.00 0.00 H new ATOM 0 HA VAL A 24 -11.936 15.136 9.013 1.00 0.00 H new ATOM 0 HB VAL A 24 -11.803 14.307 11.955 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.303 12.505 11.175 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.930 12.370 10.468 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.585 13.005 9.491 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -9.365 14.748 11.789 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.600 15.387 10.144 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -10.324 16.226 11.536 1.00 0.00 H new ATOM 404 N ALA A 25 -13.896 13.580 8.846 1.00 0.00 N ATOM 405 CA ALA A 25 -15.022 12.641 8.690 1.00 0.00 C ATOM 406 C ALA A 25 -14.659 11.282 9.322 1.00 0.00 C ATOM 407 O ALA A 25 -15.350 10.796 10.221 1.00 0.00 O ATOM 408 CB ALA A 25 -15.386 12.488 7.196 1.00 0.00 C ATOM 0 H ALA A 25 -13.296 13.638 8.023 1.00 0.00 H new ATOM 0 HA ALA A 25 -15.897 13.035 9.207 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -16.219 11.792 7.094 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -15.672 13.458 6.790 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.524 12.105 6.649 1.00 0.00 H new ATOM 414 N HIS A 26 -13.555 10.684 8.825 1.00 0.00 N ATOM 415 CA HIS A 26 -12.984 9.400 9.313 1.00 0.00 C ATOM 416 C HIS A 26 -11.462 9.402 9.076 1.00 0.00 C ATOM 417 O HIS A 26 -10.942 10.288 8.387 1.00 0.00 O ATOM 418 CB HIS A 26 -13.592 8.172 8.579 1.00 0.00 C ATOM 419 CG HIS A 26 -15.079 7.999 8.711 1.00 0.00 C ATOM 420 ND1 HIS A 26 -15.678 7.500 9.845 1.00 0.00 N ATOM 421 CD2 HIS A 26 -16.085 8.269 7.846 1.00 0.00 C ATOM 422 CE1 HIS A 26 -16.986 7.480 9.681 1.00 0.00 C ATOM 423 NE2 HIS A 26 -17.257 7.940 8.475 1.00 0.00 N ATOM 0 H HIS A 26 -13.020 11.086 8.055 1.00 0.00 H new ATOM 0 HA HIS A 26 -13.221 9.317 10.374 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -13.347 8.248 7.520 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -13.106 7.271 8.954 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -15.983 8.669 6.848 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -17.710 7.145 10.409 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -18.190 8.036 8.074 1.00 0.00 H new ATOM 432 N ASP A 27 -10.748 8.394 9.616 1.00 0.00 N ATOM 433 CA ASP A 27 -9.287 8.256 9.410 1.00 0.00 C ATOM 434 C ASP A 27 -8.836 6.794 9.538 1.00 0.00 C ATOM 435 O ASP A 27 -7.670 6.502 9.835 1.00 0.00 O ATOM 436 CB ASP A 27 -8.502 9.204 10.374 1.00 0.00 C ATOM 437 CG ASP A 27 -8.658 8.875 11.874 1.00 0.00 C ATOM 438 OD1 ASP A 27 -9.732 9.149 12.442 1.00 0.00 O ATOM 439 OD2 ASP A 27 -7.699 8.355 12.493 1.00 0.00 O ATOM 0 H ASP A 27 -11.156 7.663 10.198 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.056 8.563 8.390 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.444 9.166 10.116 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.835 10.228 10.204 1.00 0.00 H new ATOM 444 N ASP A 28 -9.747 5.881 9.197 1.00 0.00 N ATOM 445 CA ASP A 28 -9.610 4.442 9.495 1.00 0.00 C ATOM 446 C ASP A 28 -9.338 3.593 8.239 1.00 0.00 C ATOM 447 O ASP A 28 -9.134 2.380 8.366 1.00 0.00 O ATOM 448 CB ASP A 28 -10.925 3.946 10.155 1.00 0.00 C ATOM 449 CG ASP A 28 -11.319 4.738 11.413 1.00 0.00 C ATOM 450 OD1 ASP A 28 -11.821 5.875 11.281 1.00 0.00 O ATOM 451 OD2 ASP A 28 -11.148 4.224 12.536 1.00 0.00 O ATOM 0 H ASP A 28 -10.608 6.114 8.703 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.754 4.325 10.159 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -11.734 4.010 9.427 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.816 2.894 10.418 1.00 0.00 H new ATOM 456 N HIS A 29 -9.318 4.207 7.030 1.00 0.00 N ATOM 457 CA HIS A 29 -9.347 3.427 5.771 1.00 0.00 C ATOM 458 C HIS A 29 -7.915 3.067 5.355 1.00 0.00 C ATOM 459 O HIS A 29 -7.327 3.681 4.463 1.00 0.00 O ATOM 460 CB HIS A 29 -10.106 4.205 4.667 1.00 0.00 C ATOM 461 CG HIS A 29 -10.516 3.368 3.481 1.00 0.00 C ATOM 462 ND1 HIS A 29 -11.816 2.961 3.266 1.00 0.00 N ATOM 463 CD2 HIS A 29 -9.809 2.897 2.431 1.00 0.00 C ATOM 464 CE1 HIS A 29 -11.889 2.277 2.145 1.00 0.00 C ATOM 465 NE2 HIS A 29 -10.686 2.225 1.615 1.00 0.00 N ATOM 0 H HIS A 29 -9.283 5.218 6.902 1.00 0.00 H new ATOM 0 HA HIS A 29 -9.890 2.495 5.928 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -10.998 4.654 5.104 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.476 5.023 4.318 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -12.603 3.161 3.884 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -8.750 3.025 2.264 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -12.783 1.834 1.731 1.00 0.00 H new ATOM 474 N VAL A 30 -7.353 2.080 6.058 1.00 0.00 N ATOM 475 CA VAL A 30 -5.959 1.660 5.894 1.00 0.00 C ATOM 476 C VAL A 30 -5.919 0.385 5.034 1.00 0.00 C ATOM 477 O VAL A 30 -6.401 -0.669 5.452 1.00 0.00 O ATOM 478 CB VAL A 30 -5.297 1.425 7.306 1.00 0.00 C ATOM 479 CG1 VAL A 30 -3.789 1.137 7.183 1.00 0.00 C ATOM 480 CG2 VAL A 30 -5.550 2.634 8.237 1.00 0.00 C ATOM 0 H VAL A 30 -7.858 1.545 6.764 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.389 2.439 5.389 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.765 0.545 7.748 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.366 0.980 8.175 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.637 0.243 6.579 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.294 1.984 6.708 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.085 2.451 9.206 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.121 3.532 7.792 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.623 2.772 8.370 1.00 0.00 H new ATOM 490 N VAL A 31 -5.366 0.515 3.825 1.00 0.00 N ATOM 491 CA VAL A 31 -5.273 -0.565 2.828 1.00 0.00 C ATOM 492 C VAL A 31 -3.809 -1.032 2.718 1.00 0.00 C ATOM 493 O VAL A 31 -2.888 -0.230 2.894 1.00 0.00 O ATOM 494 CB VAL A 31 -5.821 -0.070 1.431 1.00 0.00 C ATOM 495 CG1 VAL A 31 -5.049 1.173 0.919 1.00 0.00 C ATOM 496 CG2 VAL A 31 -5.839 -1.210 0.377 1.00 0.00 C ATOM 0 H VAL A 31 -4.960 1.393 3.501 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.886 -1.409 3.144 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.856 0.235 1.586 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.455 1.483 -0.044 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.154 1.987 1.636 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.994 0.924 0.804 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.223 -0.826 -0.568 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.827 -1.587 0.231 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.480 -2.019 0.727 1.00 0.00 H new ATOM 506 N SER A 32 -3.603 -2.327 2.454 1.00 0.00 N ATOM 507 CA SER A 32 -2.266 -2.927 2.317 1.00 0.00 C ATOM 508 C SER A 32 -2.228 -3.873 1.113 1.00 0.00 C ATOM 509 O SER A 32 -3.203 -4.584 0.831 1.00 0.00 O ATOM 510 CB SER A 32 -1.865 -3.692 3.601 1.00 0.00 C ATOM 511 OG SER A 32 -1.821 -2.832 4.723 1.00 0.00 O ATOM 0 H SER A 32 -4.363 -2.995 2.328 1.00 0.00 H new ATOM 0 HA SER A 32 -1.550 -2.120 2.160 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.578 -4.496 3.785 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.890 -4.157 3.459 1.00 0.00 H new ATOM 0 HG SER A 32 -0.888 -2.628 4.942 1.00 0.00 H new ATOM 517 N LEU A 33 -1.099 -3.845 0.397 1.00 0.00 N ATOM 518 CA LEU A 33 -0.792 -4.805 -0.674 1.00 0.00 C ATOM 519 C LEU A 33 0.387 -5.691 -0.244 1.00 0.00 C ATOM 520 O LEU A 33 1.438 -5.184 0.139 1.00 0.00 O ATOM 521 CB LEU A 33 -0.467 -4.054 -1.984 1.00 0.00 C ATOM 522 CG LEU A 33 -1.662 -3.354 -2.688 1.00 0.00 C ATOM 523 CD1 LEU A 33 -1.174 -2.577 -3.919 1.00 0.00 C ATOM 524 CD2 LEU A 33 -2.764 -4.365 -3.075 1.00 0.00 C ATOM 0 H LEU A 33 -0.366 -3.151 0.544 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.660 -5.439 -0.855 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.292 -3.302 -1.768 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.024 -4.762 -2.684 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.102 -2.649 -1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.022 -2.092 -4.402 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.451 -1.822 -3.610 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.702 -3.265 -4.620 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.584 -3.840 -3.565 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.352 -5.110 -3.756 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.135 -4.860 -2.178 1.00 0.00 H new ATOM 536 N ILE A 34 0.190 -7.010 -0.317 1.00 0.00 N ATOM 537 CA ILE A 34 1.149 -8.015 0.152 1.00 0.00 C ATOM 538 C ILE A 34 2.126 -8.344 -0.990 1.00 0.00 C ATOM 539 O ILE A 34 1.758 -9.036 -1.944 1.00 0.00 O ATOM 540 CB ILE A 34 0.391 -9.329 0.645 1.00 0.00 C ATOM 541 CG1 ILE A 34 -0.414 -9.088 1.980 1.00 0.00 C ATOM 542 CG2 ILE A 34 1.358 -10.533 0.812 1.00 0.00 C ATOM 543 CD1 ILE A 34 -1.609 -8.137 1.890 1.00 0.00 C ATOM 0 H ILE A 34 -0.658 -7.418 -0.712 1.00 0.00 H new ATOM 0 HA ILE A 34 1.706 -7.618 1.001 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.324 -9.574 -0.140 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.771 -10.052 2.343 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.276 -8.700 2.730 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.798 -11.405 1.149 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.833 -10.754 -0.144 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.123 -10.286 1.548 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.081 -8.052 2.869 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.268 -7.154 1.565 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.331 -8.526 1.172 1.00 0.00 H new ATOM 555 N PHE A 35 3.362 -7.830 -0.905 1.00 0.00 N ATOM 556 CA PHE A 35 4.416 -8.129 -1.887 1.00 0.00 C ATOM 557 C PHE A 35 5.296 -9.249 -1.338 1.00 0.00 C ATOM 558 O PHE A 35 6.151 -9.023 -0.472 1.00 0.00 O ATOM 559 CB PHE A 35 5.261 -6.876 -2.220 1.00 0.00 C ATOM 560 CG PHE A 35 4.480 -5.773 -2.930 1.00 0.00 C ATOM 561 CD1 PHE A 35 3.641 -4.922 -2.219 1.00 0.00 C ATOM 562 CD2 PHE A 35 4.586 -5.586 -4.302 1.00 0.00 C ATOM 563 CE1 PHE A 35 2.935 -3.926 -2.862 1.00 0.00 C ATOM 564 CE2 PHE A 35 3.880 -4.587 -4.941 1.00 0.00 C ATOM 565 CZ PHE A 35 3.054 -3.757 -4.220 1.00 0.00 C ATOM 0 H PHE A 35 3.658 -7.200 -0.160 1.00 0.00 H new ATOM 0 HA PHE A 35 3.950 -8.449 -2.819 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.678 -6.475 -1.296 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.102 -7.173 -2.847 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.541 -5.042 -1.150 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.231 -6.233 -4.878 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.285 -3.276 -2.295 1.00 0.00 H new ATOM 0 HE2 PHE A 35 3.976 -4.457 -6.009 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.501 -2.975 -4.720 1.00 0.00 H new ATOM 575 N THR A 36 5.049 -10.463 -1.827 1.00 0.00 N ATOM 576 CA THR A 36 5.769 -11.648 -1.393 1.00 0.00 C ATOM 577 C THR A 36 7.110 -11.741 -2.146 1.00 0.00 C ATOM 578 O THR A 36 7.141 -12.123 -3.319 1.00 0.00 O ATOM 579 CB THR A 36 4.902 -12.923 -1.642 1.00 0.00 C ATOM 580 OG1 THR A 36 3.584 -12.739 -1.090 1.00 0.00 O ATOM 581 CG2 THR A 36 5.525 -14.183 -1.037 1.00 0.00 C ATOM 0 H THR A 36 4.341 -10.648 -2.537 1.00 0.00 H new ATOM 0 HA THR A 36 5.973 -11.579 -0.324 1.00 0.00 H new ATOM 0 HB THR A 36 4.847 -13.062 -2.722 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.046 -13.542 -1.252 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.882 -15.040 -1.239 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.506 -14.353 -1.481 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.631 -14.055 0.040 1.00 0.00 H new ATOM 589 N GLN A 37 8.197 -11.360 -1.464 1.00 0.00 N ATOM 590 CA GLN A 37 9.563 -11.483 -1.990 1.00 0.00 C ATOM 591 C GLN A 37 10.087 -12.874 -1.638 1.00 0.00 C ATOM 592 O GLN A 37 10.458 -13.132 -0.491 1.00 0.00 O ATOM 593 CB GLN A 37 10.484 -10.351 -1.439 1.00 0.00 C ATOM 594 CG GLN A 37 10.339 -9.005 -2.185 1.00 0.00 C ATOM 595 CD GLN A 37 10.847 -9.056 -3.632 1.00 0.00 C ATOM 596 OE1 GLN A 37 11.751 -9.822 -3.960 1.00 0.00 O ATOM 597 NE2 GLN A 37 10.279 -8.240 -4.509 1.00 0.00 N ATOM 0 H GLN A 37 8.154 -10.956 -0.528 1.00 0.00 H new ATOM 0 HA GLN A 37 9.559 -11.367 -3.074 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.260 -10.196 -0.384 1.00 0.00 H new ATOM 0 HB3 GLN A 37 11.522 -10.679 -1.500 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.290 -8.709 -2.186 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.887 -8.235 -1.642 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.531 -7.614 -4.212 1.00 0.00 H new ATOM 0 HE22 GLN A 37 10.590 -8.239 -5.480 1.00 0.00 H new ATOM 606 N SER A 38 10.053 -13.772 -2.630 1.00 0.00 N ATOM 607 CA SER A 38 10.328 -15.195 -2.435 1.00 0.00 C ATOM 608 C SER A 38 11.809 -15.538 -2.716 1.00 0.00 C ATOM 609 O SER A 38 12.472 -14.901 -3.550 1.00 0.00 O ATOM 610 CB SER A 38 9.388 -16.017 -3.341 1.00 0.00 C ATOM 611 OG SER A 38 8.023 -15.700 -3.096 1.00 0.00 O ATOM 0 H SER A 38 9.832 -13.527 -3.595 1.00 0.00 H new ATOM 0 HA SER A 38 10.142 -15.448 -1.391 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.626 -15.823 -4.387 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.553 -17.081 -3.169 1.00 0.00 H new ATOM 0 HG SER A 38 7.603 -15.397 -3.928 1.00 0.00 H new ATOM 617 N GLY A 39 12.298 -16.565 -2.004 1.00 0.00 N ATOM 618 CA GLY A 39 13.667 -17.057 -2.139 1.00 0.00 C ATOM 619 C GLY A 39 13.797 -18.465 -1.591 1.00 0.00 C ATOM 620 O GLY A 39 12.826 -19.230 -1.583 1.00 0.00 O ATOM 0 H GLY A 39 11.747 -17.077 -1.315 1.00 0.00 H new ATOM 0 HA2 GLY A 39 13.960 -17.043 -3.189 1.00 0.00 H new ATOM 0 HA3 GLY A 39 14.350 -16.393 -1.609 1.00 0.00 H new ATOM 624 N LYS A 40 14.986 -18.813 -1.109 1.00 0.00 N ATOM 625 CA LYS A 40 15.282 -20.147 -0.568 1.00 0.00 C ATOM 626 C LYS A 40 16.318 -20.029 0.559 1.00 0.00 C ATOM 627 O LYS A 40 17.229 -19.195 0.480 1.00 0.00 O ATOM 628 CB LYS A 40 15.730 -21.110 -1.716 1.00 0.00 C ATOM 629 CG LYS A 40 16.945 -20.661 -2.579 1.00 0.00 C ATOM 630 CD LYS A 40 18.318 -20.968 -1.935 1.00 0.00 C ATOM 631 CE LYS A 40 19.489 -20.451 -2.773 1.00 0.00 C ATOM 632 NZ LYS A 40 19.606 -21.115 -4.091 1.00 0.00 N ATOM 0 H LYS A 40 15.782 -18.176 -1.080 1.00 0.00 H new ATOM 0 HA LYS A 40 14.383 -20.583 -0.132 1.00 0.00 H new ATOM 0 HB2 LYS A 40 15.967 -22.078 -1.274 1.00 0.00 H new ATOM 0 HB3 LYS A 40 14.880 -21.263 -2.381 1.00 0.00 H new ATOM 0 HG2 LYS A 40 16.891 -21.154 -3.549 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.872 -19.589 -2.762 1.00 0.00 H new ATOM 0 HD2 LYS A 40 18.359 -20.518 -0.943 1.00 0.00 H new ATOM 0 HD3 LYS A 40 18.420 -22.045 -1.801 1.00 0.00 H new ATOM 0 HE2 LYS A 40 19.372 -19.378 -2.924 1.00 0.00 H new ATOM 0 HE3 LYS A 40 20.416 -20.596 -2.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 20.437 -20.744 -4.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 19.713 -22.140 -3.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 18.750 -20.927 -4.651 1.00 0.00 H new ATOM 646 N ARG A 41 16.188 -20.843 1.623 1.00 0.00 N ATOM 647 CA ARG A 41 17.129 -20.792 2.758 1.00 0.00 C ATOM 648 C ARG A 41 18.136 -21.932 2.655 1.00 0.00 C ATOM 649 O ARG A 41 17.765 -23.108 2.515 1.00 0.00 O ATOM 650 CB ARG A 41 16.404 -20.852 4.125 1.00 0.00 C ATOM 651 CG ARG A 41 17.326 -20.621 5.347 1.00 0.00 C ATOM 652 CD ARG A 41 16.558 -20.611 6.675 1.00 0.00 C ATOM 653 NE ARG A 41 15.549 -19.530 6.735 1.00 0.00 N ATOM 654 CZ ARG A 41 15.539 -18.516 7.618 1.00 0.00 C ATOM 655 NH1 ARG A 41 16.480 -18.412 8.554 1.00 0.00 N ATOM 656 NH2 ARG A 41 14.602 -17.591 7.536 1.00 0.00 N ATOM 0 H ARG A 41 15.448 -21.538 1.721 1.00 0.00 H new ATOM 0 HA ARG A 41 17.648 -19.835 2.705 1.00 0.00 H new ATOM 0 HB2 ARG A 41 15.612 -20.103 4.136 1.00 0.00 H new ATOM 0 HB3 ARG A 41 15.924 -21.825 4.226 1.00 0.00 H new ATOM 0 HG2 ARG A 41 18.085 -21.403 5.377 1.00 0.00 H new ATOM 0 HG3 ARG A 41 17.850 -19.672 5.228 1.00 0.00 H new ATOM 0 HD2 ARG A 41 16.065 -21.573 6.813 1.00 0.00 H new ATOM 0 HD3 ARG A 41 17.263 -20.493 7.498 1.00 0.00 H new ATOM 0 HE ARG A 41 14.796 -19.556 6.047 1.00 0.00 H new ATOM 0 HH11 ARG A 41 17.224 -19.108 8.609 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.457 -17.636 9.216 1.00 0.00 H new ATOM 0 HH21 ARG A 41 13.892 -17.648 6.806 1.00 0.00 H new ATOM 0 HH22 ARG A 41 14.588 -16.819 8.202 1.00 0.00 H new ATOM 670 N ASP A 42 19.409 -21.555 2.716 1.00 0.00 N ATOM 671 CA ASP A 42 20.532 -22.468 2.843 1.00 0.00 C ATOM 672 C ASP A 42 20.573 -22.990 4.279 1.00 0.00 C ATOM 673 O ASP A 42 20.819 -22.228 5.193 1.00 0.00 O ATOM 674 CB ASP A 42 21.821 -21.700 2.495 1.00 0.00 C ATOM 675 CG ASP A 42 23.102 -22.488 2.738 1.00 0.00 C ATOM 676 OD1 ASP A 42 23.496 -23.289 1.877 1.00 0.00 O ATOM 677 OD2 ASP A 42 23.709 -22.313 3.807 1.00 0.00 O ATOM 0 H ASP A 42 19.693 -20.576 2.677 1.00 0.00 H new ATOM 0 HA ASP A 42 20.434 -23.317 2.166 1.00 0.00 H new ATOM 0 HB2 ASP A 42 21.783 -21.405 1.446 1.00 0.00 H new ATOM 0 HB3 ASP A 42 21.854 -20.783 3.083 1.00 0.00 H new ATOM 682 N LEU A 43 20.292 -24.279 4.456 1.00 0.00 N ATOM 683 CA LEU A 43 20.165 -24.891 5.790 1.00 0.00 C ATOM 684 C LEU A 43 21.518 -25.308 6.399 1.00 0.00 C ATOM 685 O LEU A 43 21.564 -25.626 7.585 1.00 0.00 O ATOM 686 CB LEU A 43 19.174 -26.088 5.727 1.00 0.00 C ATOM 687 CG LEU A 43 17.722 -25.720 5.285 1.00 0.00 C ATOM 688 CD1 LEU A 43 16.810 -26.965 5.244 1.00 0.00 C ATOM 689 CD2 LEU A 43 17.131 -24.613 6.186 1.00 0.00 C ATOM 0 H LEU A 43 20.145 -24.932 3.686 1.00 0.00 H new ATOM 0 HA LEU A 43 19.767 -24.130 6.461 1.00 0.00 H new ATOM 0 HB2 LEU A 43 19.570 -26.832 5.036 1.00 0.00 H new ATOM 0 HB3 LEU A 43 19.131 -26.557 6.710 1.00 0.00 H new ATOM 0 HG LEU A 43 17.775 -25.327 4.270 1.00 0.00 H new ATOM 0 HD11 LEU A 43 15.808 -26.672 4.933 1.00 0.00 H new ATOM 0 HD12 LEU A 43 17.213 -27.688 4.535 1.00 0.00 H new ATOM 0 HD13 LEU A 43 16.765 -27.416 6.235 1.00 0.00 H new ATOM 0 HD21 LEU A 43 16.120 -24.376 5.856 1.00 0.00 H new ATOM 0 HD22 LEU A 43 17.104 -24.960 7.219 1.00 0.00 H new ATOM 0 HD23 LEU A 43 17.752 -23.720 6.120 1.00 0.00 H new ATOM 701 N THR A 44 22.613 -25.303 5.612 1.00 0.00 N ATOM 702 CA THR A 44 23.938 -25.718 6.123 1.00 0.00 C ATOM 703 C THR A 44 24.580 -24.585 6.955 1.00 0.00 C ATOM 704 O THR A 44 25.178 -24.848 8.005 1.00 0.00 O ATOM 705 CB THR A 44 24.903 -26.246 4.997 1.00 0.00 C ATOM 706 OG1 THR A 44 26.124 -26.758 5.563 1.00 0.00 O ATOM 707 CG2 THR A 44 25.262 -25.187 3.963 1.00 0.00 C ATOM 0 H THR A 44 22.609 -25.020 4.632 1.00 0.00 H new ATOM 0 HA THR A 44 23.771 -26.571 6.780 1.00 0.00 H new ATOM 0 HB THR A 44 24.350 -27.039 4.493 1.00 0.00 H new ATOM 0 HG1 THR A 44 26.707 -27.082 4.845 1.00 0.00 H new ATOM 0 HG21 THR A 44 25.929 -25.618 3.217 1.00 0.00 H new ATOM 0 HG22 THR A 44 24.354 -24.832 3.476 1.00 0.00 H new ATOM 0 HG23 THR A 44 25.760 -24.352 4.455 1.00 0.00 H new ATOM 715 N ASN A 45 24.432 -23.327 6.505 1.00 0.00 N ATOM 716 CA ASN A 45 24.830 -22.145 7.312 1.00 0.00 C ATOM 717 C ASN A 45 23.616 -21.604 8.077 1.00 0.00 C ATOM 718 O ASN A 45 23.753 -21.069 9.186 1.00 0.00 O ATOM 719 CB ASN A 45 25.392 -20.989 6.433 1.00 0.00 C ATOM 720 CG ASN A 45 26.681 -21.327 5.686 1.00 0.00 C ATOM 721 OD1 ASN A 45 27.781 -21.213 6.234 1.00 0.00 O ATOM 722 ND2 ASN A 45 26.561 -21.692 4.421 1.00 0.00 N ATOM 0 H ASN A 45 24.042 -23.096 5.591 1.00 0.00 H new ATOM 0 HA ASN A 45 25.612 -22.480 7.993 1.00 0.00 H new ATOM 0 HB2 ASN A 45 24.632 -20.700 5.707 1.00 0.00 H new ATOM 0 HB3 ASN A 45 25.572 -20.122 7.068 1.00 0.00 H new ATOM 0 HD21 ASN A 45 27.394 -21.889 3.866 1.00 0.00 H new ATOM 0 HD22 ASN A 45 25.636 -21.776 4.000 1.00 0.00 H new ATOM 729 N GLY A 46 22.425 -21.759 7.467 1.00 0.00 N ATOM 730 CA GLY A 46 21.195 -21.136 7.981 1.00 0.00 C ATOM 731 C GLY A 46 20.938 -19.789 7.307 1.00 0.00 C ATOM 732 O GLY A 46 20.015 -19.061 7.682 1.00 0.00 O ATOM 0 H GLY A 46 22.291 -22.310 6.619 1.00 0.00 H new ATOM 0 HA2 GLY A 46 20.348 -21.800 7.809 1.00 0.00 H new ATOM 0 HA3 GLY A 46 21.277 -20.997 9.059 1.00 0.00 H new ATOM 736 N LYS A 47 21.760 -19.477 6.277 1.00 0.00 N ATOM 737 CA LYS A 47 21.752 -18.178 5.593 1.00 0.00 C ATOM 738 C LYS A 47 20.586 -18.111 4.594 1.00 0.00 C ATOM 739 O LYS A 47 20.264 -19.100 3.933 1.00 0.00 O ATOM 740 CB LYS A 47 23.134 -17.941 4.896 1.00 0.00 C ATOM 741 CG LYS A 47 23.443 -18.858 3.706 1.00 0.00 C ATOM 742 CD LYS A 47 24.892 -18.760 3.161 1.00 0.00 C ATOM 743 CE LYS A 47 25.240 -17.405 2.515 1.00 0.00 C ATOM 744 NZ LYS A 47 25.467 -16.312 3.505 1.00 0.00 N ATOM 0 H LYS A 47 22.449 -20.129 5.901 1.00 0.00 H new ATOM 0 HA LYS A 47 21.602 -17.380 6.321 1.00 0.00 H new ATOM 0 HB2 LYS A 47 23.176 -16.907 4.555 1.00 0.00 H new ATOM 0 HB3 LYS A 47 23.921 -18.063 5.640 1.00 0.00 H new ATOM 0 HG2 LYS A 47 23.251 -19.889 4.002 1.00 0.00 H new ATOM 0 HG3 LYS A 47 22.750 -18.625 2.897 1.00 0.00 H new ATOM 0 HD2 LYS A 47 25.588 -18.948 3.979 1.00 0.00 H new ATOM 0 HD3 LYS A 47 25.044 -19.549 2.425 1.00 0.00 H new ATOM 0 HE2 LYS A 47 26.135 -17.522 1.904 1.00 0.00 H new ATOM 0 HE3 LYS A 47 24.432 -17.114 1.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 24.694 -15.620 3.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 25.495 -16.713 4.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 26.371 -15.841 3.300 1.00 0.00 H new ATOM 758 N GLU A 48 19.929 -16.952 4.524 1.00 0.00 N ATOM 759 CA GLU A 48 18.798 -16.720 3.614 1.00 0.00 C ATOM 760 C GLU A 48 19.304 -16.143 2.304 1.00 0.00 C ATOM 761 O GLU A 48 19.999 -15.123 2.300 1.00 0.00 O ATOM 762 CB GLU A 48 17.800 -15.738 4.259 1.00 0.00 C ATOM 763 CG GLU A 48 17.108 -16.262 5.520 1.00 0.00 C ATOM 764 CD GLU A 48 16.408 -15.153 6.315 1.00 0.00 C ATOM 765 OE1 GLU A 48 15.227 -14.873 6.051 1.00 0.00 O ATOM 766 OE2 GLU A 48 17.051 -14.536 7.195 1.00 0.00 O ATOM 0 H GLU A 48 20.165 -16.142 5.098 1.00 0.00 H new ATOM 0 HA GLU A 48 18.296 -17.668 3.421 1.00 0.00 H new ATOM 0 HB2 GLU A 48 18.327 -14.817 4.507 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.038 -15.481 3.523 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.376 -17.020 5.240 1.00 0.00 H new ATOM 0 HG3 GLU A 48 17.845 -16.751 6.157 1.00 0.00 H new ATOM 773 N ILE A 49 18.975 -16.805 1.199 1.00 0.00 N ATOM 774 CA ILE A 49 19.252 -16.301 -0.143 1.00 0.00 C ATOM 775 C ILE A 49 17.925 -15.942 -0.803 1.00 0.00 C ATOM 776 O ILE A 49 16.940 -16.670 -0.688 1.00 0.00 O ATOM 777 CB ILE A 49 20.037 -17.349 -0.993 1.00 0.00 C ATOM 778 CG1 ILE A 49 21.347 -17.768 -0.266 1.00 0.00 C ATOM 779 CG2 ILE A 49 20.349 -16.813 -2.407 1.00 0.00 C ATOM 780 CD1 ILE A 49 22.314 -16.622 0.043 1.00 0.00 C ATOM 0 H ILE A 49 18.506 -17.711 1.209 1.00 0.00 H new ATOM 0 HA ILE A 49 19.884 -15.415 -0.077 1.00 0.00 H new ATOM 0 HB ILE A 49 19.402 -18.228 -1.106 1.00 0.00 H new ATOM 0 HG12 ILE A 49 21.083 -18.262 0.669 1.00 0.00 H new ATOM 0 HG13 ILE A 49 21.865 -18.504 -0.880 1.00 0.00 H new ATOM 0 HG21 ILE A 49 20.896 -17.569 -2.970 1.00 0.00 H new ATOM 0 HG22 ILE A 49 19.417 -16.581 -2.922 1.00 0.00 H new ATOM 0 HG23 ILE A 49 20.955 -15.910 -2.328 1.00 0.00 H new ATOM 0 HD11 ILE A 49 23.195 -17.016 0.550 1.00 0.00 H new ATOM 0 HD12 ILE A 49 22.615 -16.140 -0.887 1.00 0.00 H new ATOM 0 HD13 ILE A 49 21.821 -15.893 0.687 1.00 0.00 H new ATOM 792 N TRP A 50 17.909 -14.811 -1.480 1.00 0.00 N ATOM 793 CA TRP A 50 16.697 -14.230 -2.059 1.00 0.00 C ATOM 794 C TRP A 50 16.936 -13.965 -3.528 1.00 0.00 C ATOM 795 O TRP A 50 18.022 -13.511 -3.901 1.00 0.00 O ATOM 796 CB TRP A 50 16.338 -12.915 -1.324 1.00 0.00 C ATOM 797 CG TRP A 50 16.066 -13.130 0.145 1.00 0.00 C ATOM 798 CD1 TRP A 50 16.898 -12.863 1.198 1.00 0.00 C ATOM 799 CD2 TRP A 50 14.892 -13.719 0.708 1.00 0.00 C ATOM 800 NE1 TRP A 50 16.298 -13.241 2.373 1.00 0.00 N ATOM 801 CE2 TRP A 50 15.070 -13.770 2.097 1.00 0.00 C ATOM 802 CE3 TRP A 50 13.708 -14.203 0.161 1.00 0.00 C ATOM 803 CZ2 TRP A 50 14.104 -14.283 2.945 1.00 0.00 C ATOM 804 CZ3 TRP A 50 12.750 -14.714 1.000 1.00 0.00 C ATOM 805 CH2 TRP A 50 12.951 -14.752 2.380 1.00 0.00 C ATOM 0 H TRP A 50 18.747 -14.255 -1.650 1.00 0.00 H new ATOM 0 HA TRP A 50 15.863 -14.923 -1.947 1.00 0.00 H new ATOM 0 HB2 TRP A 50 17.156 -12.204 -1.439 1.00 0.00 H new ATOM 0 HB3 TRP A 50 15.460 -12.469 -1.791 1.00 0.00 H new ATOM 0 HD1 TRP A 50 17.880 -12.421 1.117 1.00 0.00 H new ATOM 0 HE1 TRP A 50 16.704 -13.143 3.303 1.00 0.00 H new ATOM 0 HE3 TRP A 50 13.546 -14.177 -0.906 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 14.256 -14.312 4.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 11.827 -15.092 0.586 1.00 0.00 H new ATOM 0 HH2 TRP A 50 12.179 -15.161 3.015 1.00 0.00 H new ATOM 816 N ASP A 51 15.924 -14.242 -4.356 1.00 0.00 N ATOM 817 CA ASP A 51 15.996 -13.967 -5.785 1.00 0.00 C ATOM 818 C ASP A 51 16.068 -12.448 -6.005 1.00 0.00 C ATOM 819 O ASP A 51 15.098 -11.732 -5.740 1.00 0.00 O ATOM 820 CB ASP A 51 14.784 -14.582 -6.536 1.00 0.00 C ATOM 821 CG ASP A 51 14.829 -14.374 -8.070 1.00 0.00 C ATOM 822 OD1 ASP A 51 15.937 -14.330 -8.662 1.00 0.00 O ATOM 823 OD2 ASP A 51 13.759 -14.266 -8.694 1.00 0.00 O ATOM 0 H ASP A 51 15.043 -14.659 -4.054 1.00 0.00 H new ATOM 0 HA ASP A 51 16.895 -14.431 -6.191 1.00 0.00 H new ATOM 0 HB2 ASP A 51 14.741 -15.650 -6.325 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.866 -14.143 -6.146 1.00 0.00 H new ATOM 828 N SER A 52 17.251 -11.981 -6.432 1.00 0.00 N ATOM 829 CA SER A 52 17.505 -10.566 -6.748 1.00 0.00 C ATOM 830 C SER A 52 16.603 -10.086 -7.907 1.00 0.00 C ATOM 831 O SER A 52 16.201 -8.919 -7.955 1.00 0.00 O ATOM 832 CB SER A 52 19.001 -10.383 -7.098 1.00 0.00 C ATOM 833 OG SER A 52 19.331 -9.031 -7.353 1.00 0.00 O ATOM 0 H SER A 52 18.066 -12.579 -6.569 1.00 0.00 H new ATOM 0 HA SER A 52 17.264 -9.957 -5.877 1.00 0.00 H new ATOM 0 HB2 SER A 52 19.612 -10.755 -6.276 1.00 0.00 H new ATOM 0 HB3 SER A 52 19.243 -10.985 -7.974 1.00 0.00 H new ATOM 0 HG SER A 52 20.285 -8.962 -7.568 1.00 0.00 H new ATOM 839 N LYS A 53 16.269 -11.023 -8.809 1.00 0.00 N ATOM 840 CA LYS A 53 15.429 -10.761 -9.997 1.00 0.00 C ATOM 841 C LYS A 53 13.927 -10.749 -9.652 1.00 0.00 C ATOM 842 O LYS A 53 13.096 -10.489 -10.530 1.00 0.00 O ATOM 843 CB LYS A 53 15.726 -11.815 -11.096 1.00 0.00 C ATOM 844 CG LYS A 53 17.192 -11.821 -11.582 1.00 0.00 C ATOM 845 CD LYS A 53 17.458 -12.867 -12.692 1.00 0.00 C ATOM 846 CE LYS A 53 18.913 -12.845 -13.197 1.00 0.00 C ATOM 847 NZ LYS A 53 19.293 -11.533 -13.779 1.00 0.00 N ATOM 0 H LYS A 53 16.575 -11.993 -8.737 1.00 0.00 H new ATOM 0 HA LYS A 53 15.680 -9.768 -10.370 1.00 0.00 H new ATOM 0 HB2 LYS A 53 15.477 -12.805 -10.712 1.00 0.00 H new ATOM 0 HB3 LYS A 53 15.072 -11.630 -11.948 1.00 0.00 H new ATOM 0 HG2 LYS A 53 17.449 -10.830 -11.956 1.00 0.00 H new ATOM 0 HG3 LYS A 53 17.849 -12.023 -10.736 1.00 0.00 H new ATOM 0 HD2 LYS A 53 17.226 -13.861 -12.311 1.00 0.00 H new ATOM 0 HD3 LYS A 53 16.785 -12.681 -13.529 1.00 0.00 H new ATOM 0 HE2 LYS A 53 19.584 -13.081 -12.371 1.00 0.00 H new ATOM 0 HE3 LYS A 53 19.045 -13.624 -13.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 20.230 -11.609 -14.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 18.591 -11.254 -14.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 19.325 -10.816 -13.027 1.00 0.00 H new ATOM 861 N TRP A 54 13.577 -11.035 -8.385 1.00 0.00 N ATOM 862 CA TRP A 54 12.177 -11.047 -7.934 1.00 0.00 C ATOM 863 C TRP A 54 11.695 -9.603 -7.704 1.00 0.00 C ATOM 864 O TRP A 54 12.216 -8.884 -6.844 1.00 0.00 O ATOM 865 CB TRP A 54 12.015 -11.896 -6.644 1.00 0.00 C ATOM 866 CG TRP A 54 10.596 -12.365 -6.389 1.00 0.00 C ATOM 867 CD1 TRP A 54 9.570 -11.666 -5.807 1.00 0.00 C ATOM 868 CD2 TRP A 54 10.051 -13.654 -6.723 1.00 0.00 C ATOM 869 NE1 TRP A 54 8.442 -12.441 -5.755 1.00 0.00 N ATOM 870 CE2 TRP A 54 8.712 -13.664 -6.308 1.00 0.00 C ATOM 871 CE3 TRP A 54 10.577 -14.801 -7.327 1.00 0.00 C ATOM 872 CZ2 TRP A 54 7.889 -14.773 -6.483 1.00 0.00 C ATOM 873 CZ3 TRP A 54 9.758 -15.901 -7.500 1.00 0.00 C ATOM 874 CH2 TRP A 54 8.429 -15.881 -7.077 1.00 0.00 C ATOM 0 H TRP A 54 14.250 -11.262 -7.653 1.00 0.00 H new ATOM 0 HA TRP A 54 11.563 -11.506 -8.708 1.00 0.00 H new ATOM 0 HB2 TRP A 54 12.668 -12.766 -6.710 1.00 0.00 H new ATOM 0 HB3 TRP A 54 12.352 -11.308 -5.790 1.00 0.00 H new ATOM 0 HD1 TRP A 54 9.641 -10.652 -5.443 1.00 0.00 H new ATOM 0 HE1 TRP A 54 7.544 -12.153 -5.366 1.00 0.00 H new ATOM 0 HE3 TRP A 54 11.606 -14.827 -7.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 6.858 -14.759 -6.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 10.153 -16.790 -7.970 1.00 0.00 H new ATOM 0 HH2 TRP A 54 7.814 -16.757 -7.221 1.00 0.00 H new ATOM 885 N SER A 55 10.697 -9.195 -8.490 1.00 0.00 N ATOM 886 CA SER A 55 10.074 -7.874 -8.405 1.00 0.00 C ATOM 887 C SER A 55 8.580 -8.032 -8.646 1.00 0.00 C ATOM 888 O SER A 55 8.178 -8.666 -9.628 1.00 0.00 O ATOM 889 CB SER A 55 10.698 -6.915 -9.442 1.00 0.00 C ATOM 890 OG SER A 55 10.665 -7.462 -10.759 1.00 0.00 O ATOM 0 H SER A 55 10.292 -9.785 -9.217 1.00 0.00 H new ATOM 0 HA SER A 55 10.243 -7.445 -7.417 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.161 -5.967 -9.429 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.730 -6.701 -9.164 1.00 0.00 H new ATOM 0 HG SER A 55 9.948 -8.128 -10.819 1.00 0.00 H new ATOM 896 N LEU A 56 7.753 -7.460 -7.767 1.00 0.00 N ATOM 897 CA LEU A 56 6.296 -7.616 -7.844 1.00 0.00 C ATOM 898 C LEU A 56 5.643 -6.235 -7.930 1.00 0.00 C ATOM 899 O LEU A 56 6.041 -5.315 -7.213 1.00 0.00 O ATOM 900 CB LEU A 56 5.769 -8.409 -6.618 1.00 0.00 C ATOM 901 CG LEU A 56 4.258 -8.804 -6.661 1.00 0.00 C ATOM 902 CD1 LEU A 56 3.941 -9.725 -7.868 1.00 0.00 C ATOM 903 CD2 LEU A 56 3.828 -9.450 -5.328 1.00 0.00 C ATOM 0 H LEU A 56 8.069 -6.881 -6.989 1.00 0.00 H new ATOM 0 HA LEU A 56 6.038 -8.183 -8.739 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.360 -9.319 -6.517 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.944 -7.814 -5.722 1.00 0.00 H new ATOM 0 HG LEU A 56 3.677 -7.892 -6.797 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.881 -9.978 -7.864 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.187 -9.207 -8.795 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.532 -10.638 -7.794 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.773 -9.718 -5.377 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.422 -10.346 -5.150 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.985 -8.743 -4.514 1.00 0.00 H new ATOM 915 N THR A 57 4.657 -6.105 -8.824 1.00 0.00 N ATOM 916 CA THR A 57 3.931 -4.853 -9.057 1.00 0.00 C ATOM 917 C THR A 57 2.439 -5.079 -8.765 1.00 0.00 C ATOM 918 O THR A 57 1.806 -5.906 -9.424 1.00 0.00 O ATOM 919 CB THR A 57 4.119 -4.376 -10.537 1.00 0.00 C ATOM 920 OG1 THR A 57 5.518 -4.354 -10.875 1.00 0.00 O ATOM 921 CG2 THR A 57 3.513 -2.981 -10.781 1.00 0.00 C ATOM 0 H THR A 57 4.338 -6.875 -9.412 1.00 0.00 H new ATOM 0 HA THR A 57 4.325 -4.081 -8.396 1.00 0.00 H new ATOM 0 HB THR A 57 3.591 -5.086 -11.173 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.626 -4.056 -11.802 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.668 -2.694 -11.821 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.444 -3.006 -10.567 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.997 -2.255 -10.128 1.00 0.00 H new ATOM 929 N GLN A 58 1.889 -4.368 -7.768 1.00 0.00 N ATOM 930 CA GLN A 58 0.461 -4.474 -7.390 1.00 0.00 C ATOM 931 C GLN A 58 -0.148 -3.068 -7.307 1.00 0.00 C ATOM 932 O GLN A 58 0.542 -2.114 -6.949 1.00 0.00 O ATOM 933 CB GLN A 58 0.292 -5.213 -6.034 1.00 0.00 C ATOM 934 CG GLN A 58 0.901 -6.625 -5.977 1.00 0.00 C ATOM 935 CD GLN A 58 0.796 -7.272 -4.599 1.00 0.00 C ATOM 936 OE1 GLN A 58 0.801 -6.603 -3.574 1.00 0.00 O ATOM 937 NE2 GLN A 58 0.723 -8.586 -4.568 1.00 0.00 N ATOM 0 H GLN A 58 2.415 -3.704 -7.200 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.059 -5.055 -8.152 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.745 -4.607 -5.249 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.772 -5.284 -5.807 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.399 -7.259 -6.708 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.950 -6.573 -6.267 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.721 -9.117 -5.439 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.669 -9.073 -3.673 1.00 0.00 H new ATOM 946 N THR A 59 -1.451 -2.958 -7.600 1.00 0.00 N ATOM 947 CA THR A 59 -2.139 -1.664 -7.774 1.00 0.00 C ATOM 948 C THR A 59 -3.060 -1.327 -6.582 1.00 0.00 C ATOM 949 O THR A 59 -3.951 -2.114 -6.236 1.00 0.00 O ATOM 950 CB THR A 59 -2.983 -1.690 -9.086 1.00 0.00 C ATOM 951 OG1 THR A 59 -2.137 -2.014 -10.204 1.00 0.00 O ATOM 952 CG2 THR A 59 -3.707 -0.355 -9.361 1.00 0.00 C ATOM 0 H THR A 59 -2.063 -3.765 -7.724 1.00 0.00 H new ATOM 0 HA THR A 59 -1.371 -0.892 -7.830 1.00 0.00 H new ATOM 0 HB THR A 59 -3.750 -2.453 -8.953 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.672 -2.031 -11.025 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.277 -0.434 -10.286 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.383 -0.131 -8.536 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.972 0.445 -9.455 1.00 0.00 H new ATOM 960 N PHE A 60 -2.821 -0.163 -5.935 1.00 0.00 N ATOM 961 CA PHE A 60 -3.779 0.435 -4.986 1.00 0.00 C ATOM 962 C PHE A 60 -4.976 0.975 -5.762 1.00 0.00 C ATOM 963 O PHE A 60 -4.926 2.070 -6.332 1.00 0.00 O ATOM 964 CB PHE A 60 -3.123 1.548 -4.130 1.00 0.00 C ATOM 965 CG PHE A 60 -2.203 1.003 -3.055 1.00 0.00 C ATOM 966 CD1 PHE A 60 -2.718 0.583 -1.832 1.00 0.00 C ATOM 967 CD2 PHE A 60 -0.837 0.883 -3.276 1.00 0.00 C ATOM 968 CE1 PHE A 60 -1.892 0.064 -0.861 1.00 0.00 C ATOM 969 CE2 PHE A 60 -0.014 0.369 -2.303 1.00 0.00 C ATOM 970 CZ PHE A 60 -0.543 -0.041 -1.100 1.00 0.00 C ATOM 0 H PHE A 60 -1.967 0.381 -6.056 1.00 0.00 H new ATOM 0 HA PHE A 60 -4.112 -0.337 -4.292 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -2.557 2.214 -4.781 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -3.904 2.147 -3.662 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.778 0.665 -1.643 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.418 1.196 -4.221 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -2.302 -0.259 0.084 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.048 0.287 -2.482 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.107 -0.448 -0.339 1.00 0.00 H new ATOM 980 N GLU A 61 -6.025 0.162 -5.818 1.00 0.00 N ATOM 981 CA GLU A 61 -7.238 0.445 -6.592 1.00 0.00 C ATOM 982 C GLU A 61 -8.484 0.024 -5.812 1.00 0.00 C ATOM 983 O GLU A 61 -8.366 -0.487 -4.687 1.00 0.00 O ATOM 984 CB GLU A 61 -7.165 -0.287 -7.953 1.00 0.00 C ATOM 985 CG GLU A 61 -7.039 -1.821 -7.872 1.00 0.00 C ATOM 986 CD GLU A 61 -7.080 -2.493 -9.254 1.00 0.00 C ATOM 987 OE1 GLU A 61 -8.175 -2.576 -9.841 1.00 0.00 O ATOM 988 OE2 GLU A 61 -6.033 -2.938 -9.760 1.00 0.00 O ATOM 0 H GLU A 61 -6.062 -0.728 -5.320 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.306 1.518 -6.772 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.059 -0.043 -8.526 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.313 0.102 -8.510 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.104 -2.079 -7.375 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.847 -2.216 -7.256 1.00 0.00 H new ATOM 995 N ALA A 62 -9.670 0.261 -6.424 1.00 0.00 N ATOM 996 CA ALA A 62 -10.983 -0.045 -5.820 1.00 0.00 C ATOM 997 C ALA A 62 -11.104 0.611 -4.426 1.00 0.00 C ATOM 998 O ALA A 62 -11.592 0.006 -3.466 1.00 0.00 O ATOM 999 CB ALA A 62 -11.221 -1.573 -5.789 1.00 0.00 C ATOM 0 H ALA A 62 -9.739 0.672 -7.355 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.773 0.383 -6.437 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.193 -1.781 -5.341 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -11.199 -1.965 -6.806 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.439 -2.051 -5.198 1.00 0.00 H new ATOM 1005 N LEU A 63 -10.631 1.869 -4.347 1.00 0.00 N ATOM 1006 CA LEU A 63 -10.533 2.633 -3.103 1.00 0.00 C ATOM 1007 C LEU A 63 -11.671 3.686 -3.105 1.00 0.00 C ATOM 1008 O LEU A 63 -11.519 4.754 -3.713 1.00 0.00 O ATOM 1009 CB LEU A 63 -9.112 3.297 -3.002 1.00 0.00 C ATOM 1010 CG LEU A 63 -8.546 3.591 -1.562 1.00 0.00 C ATOM 1011 CD1 LEU A 63 -9.487 4.487 -0.718 1.00 0.00 C ATOM 1012 CD2 LEU A 63 -8.208 2.273 -0.828 1.00 0.00 C ATOM 0 H LEU A 63 -10.303 2.386 -5.163 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.647 1.990 -2.230 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.401 2.650 -3.517 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.141 4.239 -3.550 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.625 4.159 -1.692 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.045 4.656 0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.627 5.443 -1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.452 3.993 -0.602 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.819 2.499 0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.109 1.667 -0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.458 1.723 -1.395 1.00 0.00 H new ATOM 1024 N PRO A 64 -12.828 3.395 -2.431 1.00 0.00 N ATOM 1025 CA PRO A 64 -14.009 4.267 -2.446 1.00 0.00 C ATOM 1026 C PRO A 64 -14.001 5.295 -1.281 1.00 0.00 C ATOM 1027 O PRO A 64 -12.967 5.494 -0.624 1.00 0.00 O ATOM 1028 CB PRO A 64 -15.142 3.225 -2.306 1.00 0.00 C ATOM 1029 CG PRO A 64 -14.580 2.177 -1.393 1.00 0.00 C ATOM 1030 CD PRO A 64 -13.068 2.202 -1.578 1.00 0.00 C ATOM 0 HA PRO A 64 -14.089 4.898 -3.331 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -16.043 3.673 -1.888 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -15.415 2.803 -3.273 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -14.847 2.383 -0.356 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -14.984 1.194 -1.637 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -12.551 2.285 -0.622 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -12.710 1.291 -2.057 1.00 0.00 H new ATOM 1038 N SER A 65 -15.163 5.919 -1.032 1.00 0.00 N ATOM 1039 CA SER A 65 -15.328 6.918 0.032 1.00 0.00 C ATOM 1040 C SER A 65 -16.808 6.954 0.481 1.00 0.00 C ATOM 1041 O SER A 65 -17.693 6.718 -0.359 1.00 0.00 O ATOM 1042 CB SER A 65 -14.880 8.306 -0.495 1.00 0.00 C ATOM 1043 OG SER A 65 -15.797 8.812 -1.443 1.00 0.00 O ATOM 0 H SER A 65 -16.015 5.744 -1.564 1.00 0.00 H new ATOM 0 HA SER A 65 -14.711 6.654 0.891 1.00 0.00 H new ATOM 0 HB2 SER A 65 -14.792 9.003 0.338 1.00 0.00 H new ATOM 0 HB3 SER A 65 -13.892 8.224 -0.948 1.00 0.00 H new ATOM 0 HG SER A 65 -15.918 9.774 -1.300 1.00 0.00 H new ATOM 1049 N PRO A 66 -17.116 7.218 1.794 1.00 0.00 N ATOM 1050 CA PRO A 66 -18.512 7.397 2.256 1.00 0.00 C ATOM 1051 C PRO A 66 -19.159 8.640 1.616 1.00 0.00 C ATOM 1052 O PRO A 66 -18.637 9.748 1.752 1.00 0.00 O ATOM 1053 CB PRO A 66 -18.366 7.551 3.800 1.00 0.00 C ATOM 1054 CG PRO A 66 -16.954 7.997 4.019 1.00 0.00 C ATOM 1055 CD PRO A 66 -16.156 7.326 2.928 1.00 0.00 C ATOM 0 HA PRO A 66 -19.163 6.568 1.978 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.075 8.281 4.192 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -18.565 6.608 4.310 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -16.869 9.082 3.959 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -16.597 7.704 5.006 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -15.280 7.914 2.655 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -15.797 6.346 3.242 1.00 0.00 H new ATOM 1063 N VAL A 67 -20.264 8.445 0.877 1.00 0.00 N ATOM 1064 CA VAL A 67 -21.033 9.561 0.317 1.00 0.00 C ATOM 1065 C VAL A 67 -21.661 10.335 1.480 1.00 0.00 C ATOM 1066 O VAL A 67 -22.570 9.829 2.143 1.00 0.00 O ATOM 1067 CB VAL A 67 -22.158 9.070 -0.673 1.00 0.00 C ATOM 1068 CG1 VAL A 67 -22.905 10.268 -1.313 1.00 0.00 C ATOM 1069 CG2 VAL A 67 -21.578 8.126 -1.753 1.00 0.00 C ATOM 0 H VAL A 67 -20.642 7.524 0.655 1.00 0.00 H new ATOM 0 HA VAL A 67 -20.361 10.197 -0.259 1.00 0.00 H new ATOM 0 HB VAL A 67 -22.885 8.501 -0.094 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -23.674 9.897 -1.990 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -23.369 10.868 -0.530 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -22.197 10.883 -1.869 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -22.377 7.803 -2.421 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -20.816 8.654 -2.326 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -21.132 7.255 -1.273 1.00 0.00 H new ATOM 1079 N ILE A 68 -21.123 11.524 1.768 1.00 0.00 N ATOM 1080 CA ILE A 68 -21.619 12.378 2.849 1.00 0.00 C ATOM 1081 C ILE A 68 -22.615 13.386 2.260 1.00 0.00 C ATOM 1082 O ILE A 68 -22.290 14.077 1.294 1.00 0.00 O ATOM 1083 CB ILE A 68 -20.439 13.106 3.589 1.00 0.00 C ATOM 1084 CG1 ILE A 68 -19.379 12.063 4.077 1.00 0.00 C ATOM 1085 CG2 ILE A 68 -20.971 13.945 4.773 1.00 0.00 C ATOM 1086 CD1 ILE A 68 -18.148 12.646 4.742 1.00 0.00 C ATOM 0 H ILE A 68 -20.333 11.920 1.259 1.00 0.00 H new ATOM 0 HA ILE A 68 -22.123 11.763 3.595 1.00 0.00 H new ATOM 0 HB ILE A 68 -19.956 13.785 2.887 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -19.861 11.382 4.778 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -19.061 11.467 3.222 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -20.138 14.440 5.271 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -21.670 14.695 4.403 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -21.481 13.292 5.481 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -17.480 11.839 5.042 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -17.633 13.303 4.041 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -18.445 13.216 5.622 1.00 0.00 H new ATOM 1098 N ILE A 69 -23.821 13.436 2.840 1.00 0.00 N ATOM 1099 CA ILE A 69 -24.923 14.285 2.370 1.00 0.00 C ATOM 1100 C ILE A 69 -24.567 15.783 2.519 1.00 0.00 C ATOM 1101 O ILE A 69 -24.103 16.216 3.574 1.00 0.00 O ATOM 1102 CB ILE A 69 -26.242 13.918 3.147 1.00 0.00 C ATOM 1103 CG1 ILE A 69 -26.637 12.418 2.903 1.00 0.00 C ATOM 1104 CG2 ILE A 69 -27.415 14.854 2.788 1.00 0.00 C ATOM 1105 CD1 ILE A 69 -26.852 12.024 1.438 1.00 0.00 C ATOM 0 H ILE A 69 -24.062 12.880 3.660 1.00 0.00 H new ATOM 0 HA ILE A 69 -25.090 14.102 1.308 1.00 0.00 H new ATOM 0 HB ILE A 69 -26.033 14.057 4.208 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -25.857 11.782 3.322 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -27.552 12.206 3.456 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -28.301 14.559 3.350 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -27.151 15.881 3.040 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -27.623 14.784 1.720 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -27.121 10.969 1.381 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -27.655 12.627 1.013 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -25.934 12.196 0.877 1.00 0.00 H new ATOM 1117 N GLY A 70 -24.787 16.545 1.434 1.00 0.00 N ATOM 1118 CA GLY A 70 -24.391 17.944 1.351 1.00 0.00 C ATOM 1119 C GLY A 70 -22.926 18.129 0.987 1.00 0.00 C ATOM 1120 O GLY A 70 -22.437 19.265 0.967 1.00 0.00 O ATOM 0 H GLY A 70 -25.247 16.198 0.592 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -25.010 18.447 0.608 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -24.585 18.428 2.308 1.00 0.00 H new ATOM 1124 N TYR A 71 -22.215 17.019 0.681 1.00 0.00 N ATOM 1125 CA TYR A 71 -20.760 17.043 0.413 1.00 0.00 C ATOM 1126 C TYR A 71 -20.396 16.181 -0.797 1.00 0.00 C ATOM 1127 O TYR A 71 -21.150 15.296 -1.216 1.00 0.00 O ATOM 1128 CB TYR A 71 -19.949 16.580 1.658 1.00 0.00 C ATOM 1129 CG TYR A 71 -20.093 17.520 2.868 1.00 0.00 C ATOM 1130 CD1 TYR A 71 -19.301 18.662 3.003 1.00 0.00 C ATOM 1131 CD2 TYR A 71 -21.045 17.275 3.853 1.00 0.00 C ATOM 1132 CE1 TYR A 71 -19.456 19.513 4.078 1.00 0.00 C ATOM 1133 CE2 TYR A 71 -21.197 18.119 4.926 1.00 0.00 C ATOM 1134 CZ TYR A 71 -20.407 19.234 5.034 1.00 0.00 C ATOM 1135 OH TYR A 71 -20.566 20.073 6.107 1.00 0.00 O ATOM 0 H TYR A 71 -22.630 16.090 0.614 1.00 0.00 H new ATOM 0 HA TYR A 71 -20.496 18.077 0.189 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -20.276 15.580 1.944 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -18.895 16.506 1.389 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -18.555 18.883 2.254 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -21.677 16.403 3.772 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -18.835 20.392 4.169 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -21.937 17.905 5.683 1.00 0.00 H new ATOM 0 HH TYR A 71 -21.279 19.732 6.686 1.00 0.00 H new ATOM 1145 N THR A 72 -19.223 16.479 -1.360 1.00 0.00 N ATOM 1146 CA THR A 72 -18.628 15.745 -2.476 1.00 0.00 C ATOM 1147 C THR A 72 -17.104 15.801 -2.300 1.00 0.00 C ATOM 1148 O THR A 72 -16.555 16.888 -2.075 1.00 0.00 O ATOM 1149 CB THR A 72 -19.058 16.373 -3.850 1.00 0.00 C ATOM 1150 OG1 THR A 72 -20.489 16.320 -3.991 1.00 0.00 O ATOM 1151 CG2 THR A 72 -18.417 15.671 -5.063 1.00 0.00 C ATOM 0 H THR A 72 -18.646 17.258 -1.043 1.00 0.00 H new ATOM 0 HA THR A 72 -18.972 14.711 -2.479 1.00 0.00 H new ATOM 0 HB THR A 72 -18.706 17.404 -3.838 1.00 0.00 H new ATOM 0 HG1 THR A 72 -20.718 16.087 -4.915 1.00 0.00 H new ATOM 0 HG21 THR A 72 -18.754 16.152 -5.981 1.00 0.00 H new ATOM 0 HG22 THR A 72 -17.332 15.742 -4.993 1.00 0.00 H new ATOM 0 HG23 THR A 72 -18.712 14.622 -5.074 1.00 0.00 H new ATOM 1159 N ALA A 73 -16.429 14.638 -2.358 1.00 0.00 N ATOM 1160 CA ALA A 73 -14.965 14.563 -2.204 1.00 0.00 C ATOM 1161 C ALA A 73 -14.249 14.989 -3.502 1.00 0.00 C ATOM 1162 O ALA A 73 -14.828 14.917 -4.592 1.00 0.00 O ATOM 1163 CB ALA A 73 -14.547 13.150 -1.781 1.00 0.00 C ATOM 0 H ALA A 73 -16.877 13.734 -2.511 1.00 0.00 H new ATOM 0 HA ALA A 73 -14.665 15.259 -1.420 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.463 13.109 -1.671 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -15.018 12.901 -0.830 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.862 12.435 -2.541 1.00 0.00 H new ATOM 1169 N ASP A 74 -12.986 15.437 -3.354 1.00 0.00 N ATOM 1170 CA ASP A 74 -12.103 15.817 -4.485 1.00 0.00 C ATOM 1171 C ASP A 74 -11.689 14.540 -5.226 1.00 0.00 C ATOM 1172 O ASP A 74 -11.665 14.479 -6.459 1.00 0.00 O ATOM 1173 CB ASP A 74 -10.861 16.576 -3.934 1.00 0.00 C ATOM 1174 CG ASP A 74 -9.897 17.115 -5.025 1.00 0.00 C ATOM 1175 OD1 ASP A 74 -9.138 16.325 -5.610 1.00 0.00 O ATOM 1176 OD2 ASP A 74 -9.870 18.336 -5.278 1.00 0.00 O ATOM 0 H ASP A 74 -12.543 15.548 -2.442 1.00 0.00 H new ATOM 0 HA ASP A 74 -12.622 16.477 -5.180 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.203 17.413 -3.325 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.306 15.908 -3.275 1.00 0.00 H new ATOM 1181 N LYS A 75 -11.373 13.520 -4.424 1.00 0.00 N ATOM 1182 CA LYS A 75 -11.155 12.156 -4.891 1.00 0.00 C ATOM 1183 C LYS A 75 -12.067 11.213 -4.080 1.00 0.00 C ATOM 1184 O LYS A 75 -11.659 10.688 -3.043 1.00 0.00 O ATOM 1185 CB LYS A 75 -9.639 11.728 -4.864 1.00 0.00 C ATOM 1186 CG LYS A 75 -8.840 12.010 -3.565 1.00 0.00 C ATOM 1187 CD LYS A 75 -8.326 13.468 -3.445 1.00 0.00 C ATOM 1188 CE LYS A 75 -7.285 13.829 -4.529 1.00 0.00 C ATOM 1189 NZ LYS A 75 -6.775 15.226 -4.393 1.00 0.00 N ATOM 0 H LYS A 75 -11.260 13.625 -3.416 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.425 12.092 -5.945 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.588 10.658 -5.065 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.132 12.232 -5.687 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.473 11.787 -2.706 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.989 11.331 -3.519 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.171 14.153 -3.517 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.882 13.612 -2.460 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.448 13.133 -4.470 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.734 13.704 -5.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.869 15.315 -4.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.465 15.889 -4.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.635 15.448 -3.387 1.00 0.00 H new ATOM 1203 N PRO A 76 -13.361 11.015 -4.523 1.00 0.00 N ATOM 1204 CA PRO A 76 -14.268 10.014 -3.906 1.00 0.00 C ATOM 1205 C PRO A 76 -13.891 8.568 -4.314 1.00 0.00 C ATOM 1206 O PRO A 76 -14.460 7.590 -3.819 1.00 0.00 O ATOM 1207 CB PRO A 76 -15.658 10.430 -4.450 1.00 0.00 C ATOM 1208 CG PRO A 76 -15.380 11.050 -5.784 1.00 0.00 C ATOM 1209 CD PRO A 76 -14.038 11.746 -5.650 1.00 0.00 C ATOM 0 HA PRO A 76 -14.223 10.004 -2.817 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -16.319 9.569 -4.545 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -16.149 11.136 -3.781 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -15.350 10.293 -6.568 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -16.162 11.759 -6.055 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -13.461 11.681 -6.572 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -14.158 12.805 -5.424 1.00 0.00 H new ATOM 1217 N MET A 77 -12.924 8.487 -5.231 1.00 0.00 N ATOM 1218 CA MET A 77 -12.280 7.262 -5.688 1.00 0.00 C ATOM 1219 C MET A 77 -10.811 7.610 -5.941 1.00 0.00 C ATOM 1220 O MET A 77 -10.510 8.444 -6.812 1.00 0.00 O ATOM 1221 CB MET A 77 -12.977 6.744 -6.978 1.00 0.00 C ATOM 1222 CG MET A 77 -12.260 5.602 -7.712 1.00 0.00 C ATOM 1223 SD MET A 77 -12.108 4.089 -6.742 1.00 0.00 S ATOM 1224 CE MET A 77 -11.268 3.035 -7.925 1.00 0.00 C ATOM 0 H MET A 77 -12.554 9.316 -5.695 1.00 0.00 H new ATOM 0 HA MET A 77 -12.356 6.465 -4.949 1.00 0.00 H new ATOM 0 HB2 MET A 77 -13.981 6.409 -6.716 1.00 0.00 H new ATOM 0 HB3 MET A 77 -13.090 7.580 -7.668 1.00 0.00 H new ATOM 0 HG2 MET A 77 -12.800 5.379 -8.632 1.00 0.00 H new ATOM 0 HG3 MET A 77 -11.264 5.938 -8.001 1.00 0.00 H new ATOM 0 HE1 MET A 77 -11.802 2.089 -8.013 1.00 0.00 H new ATOM 0 HE2 MET A 77 -11.240 3.528 -8.897 1.00 0.00 H new ATOM 0 HE3 MET A 77 -10.250 2.846 -7.585 1.00 0.00 H new ATOM 1234 N VAL A 78 -9.911 7.023 -5.143 1.00 0.00 N ATOM 1235 CA VAL A 78 -8.468 7.233 -5.271 1.00 0.00 C ATOM 1236 C VAL A 78 -7.989 6.579 -6.579 1.00 0.00 C ATOM 1237 O VAL A 78 -8.247 5.386 -6.799 1.00 0.00 O ATOM 1238 CB VAL A 78 -7.696 6.656 -4.018 1.00 0.00 C ATOM 1239 CG1 VAL A 78 -6.166 6.749 -4.189 1.00 0.00 C ATOM 1240 CG2 VAL A 78 -8.152 7.375 -2.721 1.00 0.00 C ATOM 0 H VAL A 78 -10.167 6.387 -4.388 1.00 0.00 H new ATOM 0 HA VAL A 78 -8.255 8.301 -5.305 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.946 5.598 -3.938 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.676 6.341 -3.305 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.863 6.179 -5.067 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.877 7.792 -4.316 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.610 6.965 -1.868 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.944 8.442 -2.804 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -9.222 7.224 -2.578 1.00 0.00 H new ATOM 1250 N GLY A 79 -7.345 7.391 -7.450 1.00 0.00 N ATOM 1251 CA GLY A 79 -6.893 6.947 -8.769 1.00 0.00 C ATOM 1252 C GLY A 79 -5.928 5.770 -8.711 1.00 0.00 C ATOM 1253 O GLY A 79 -4.838 5.921 -8.138 1.00 0.00 O ATOM 0 H GLY A 79 -7.130 8.368 -7.249 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.760 6.668 -9.367 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.409 7.780 -9.279 1.00 0.00 H new ATOM 1257 N PRO A 80 -6.314 4.574 -9.274 1.00 0.00 N ATOM 1258 CA PRO A 80 -5.496 3.334 -9.213 1.00 0.00 C ATOM 1259 C PRO A 80 -4.014 3.541 -9.595 1.00 0.00 C ATOM 1260 O PRO A 80 -3.716 4.155 -10.616 1.00 0.00 O ATOM 1261 CB PRO A 80 -6.220 2.400 -10.210 1.00 0.00 C ATOM 1262 CG PRO A 80 -7.651 2.825 -10.148 1.00 0.00 C ATOM 1263 CD PRO A 80 -7.606 4.325 -10.002 1.00 0.00 C ATOM 0 HA PRO A 80 -5.432 2.939 -8.199 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -5.818 2.506 -11.217 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.104 1.353 -9.929 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -8.189 2.532 -11.049 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.164 2.362 -9.305 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.621 4.822 -10.972 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -8.461 4.698 -9.439 1.00 0.00 H new ATOM 1271 N ASP A 81 -3.087 3.032 -8.762 1.00 0.00 N ATOM 1272 CA ASP A 81 -1.634 3.228 -8.969 1.00 0.00 C ATOM 1273 C ASP A 81 -0.844 1.950 -8.679 1.00 0.00 C ATOM 1274 O ASP A 81 -1.032 1.324 -7.634 1.00 0.00 O ATOM 1275 CB ASP A 81 -1.093 4.376 -8.077 1.00 0.00 C ATOM 1276 CG ASP A 81 0.424 4.595 -8.240 1.00 0.00 C ATOM 1277 OD1 ASP A 81 0.857 5.022 -9.325 1.00 0.00 O ATOM 1278 OD2 ASP A 81 1.189 4.310 -7.292 1.00 0.00 O ATOM 0 H ASP A 81 -3.317 2.480 -7.936 1.00 0.00 H new ATOM 0 HA ASP A 81 -1.499 3.492 -10.018 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.617 5.299 -8.323 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.313 4.153 -7.033 1.00 0.00 H new ATOM 1283 N GLU A 82 0.068 1.610 -9.601 1.00 0.00 N ATOM 1284 CA GLU A 82 0.947 0.442 -9.499 1.00 0.00 C ATOM 1285 C GLU A 82 2.161 0.785 -8.626 1.00 0.00 C ATOM 1286 O GLU A 82 2.915 1.708 -8.941 1.00 0.00 O ATOM 1287 CB GLU A 82 1.436 0.003 -10.912 1.00 0.00 C ATOM 1288 CG GLU A 82 0.338 -0.480 -11.886 1.00 0.00 C ATOM 1289 CD GLU A 82 -0.672 0.606 -12.312 1.00 0.00 C ATOM 1290 OE1 GLU A 82 -0.289 1.519 -13.063 1.00 0.00 O ATOM 1291 OE2 GLU A 82 -1.838 0.554 -11.885 1.00 0.00 O ATOM 0 H GLU A 82 0.216 2.151 -10.453 1.00 0.00 H new ATOM 0 HA GLU A 82 0.387 -0.377 -9.048 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.959 0.842 -11.371 1.00 0.00 H new ATOM 0 HB3 GLU A 82 2.165 -0.798 -10.790 1.00 0.00 H new ATOM 0 HG2 GLU A 82 0.816 -0.882 -12.779 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.207 -1.300 -11.419 1.00 0.00 H new ATOM 1298 N VAL A 83 2.310 0.071 -7.515 1.00 0.00 N ATOM 1299 CA VAL A 83 3.514 0.094 -6.678 1.00 0.00 C ATOM 1300 C VAL A 83 4.343 -1.169 -6.966 1.00 0.00 C ATOM 1301 O VAL A 83 3.783 -2.257 -7.025 1.00 0.00 O ATOM 1302 CB VAL A 83 3.113 0.163 -5.156 1.00 0.00 C ATOM 1303 CG1 VAL A 83 4.334 0.001 -4.223 1.00 0.00 C ATOM 1304 CG2 VAL A 83 2.351 1.476 -4.865 1.00 0.00 C ATOM 0 H VAL A 83 1.586 -0.553 -7.161 1.00 0.00 H new ATOM 0 HA VAL A 83 4.111 0.976 -6.909 1.00 0.00 H new ATOM 0 HB VAL A 83 2.451 -0.678 -4.947 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.008 0.055 -3.184 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.806 -0.965 -4.405 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.051 0.798 -4.420 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.079 1.513 -3.810 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.988 2.327 -5.105 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.448 1.515 -5.474 1.00 0.00 H new ATOM 1314 N THR A 84 5.657 -1.015 -7.172 1.00 0.00 N ATOM 1315 CA THR A 84 6.578 -2.140 -7.387 1.00 0.00 C ATOM 1316 C THR A 84 7.560 -2.250 -6.210 1.00 0.00 C ATOM 1317 O THR A 84 8.375 -1.340 -5.992 1.00 0.00 O ATOM 1318 CB THR A 84 7.378 -1.970 -8.727 1.00 0.00 C ATOM 1319 OG1 THR A 84 6.462 -1.768 -9.811 1.00 0.00 O ATOM 1320 CG2 THR A 84 8.272 -3.193 -9.042 1.00 0.00 C ATOM 0 H THR A 84 6.114 -0.103 -7.194 1.00 0.00 H new ATOM 0 HA THR A 84 5.985 -3.052 -7.454 1.00 0.00 H new ATOM 0 HB THR A 84 8.030 -1.105 -8.606 1.00 0.00 H new ATOM 0 HG1 THR A 84 6.161 -2.636 -10.151 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.803 -3.024 -9.979 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.993 -3.334 -8.237 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.651 -4.084 -9.133 1.00 0.00 H new ATOM 1328 N VAL A 85 7.455 -3.339 -5.432 1.00 0.00 N ATOM 1329 CA VAL A 85 8.497 -3.709 -4.467 1.00 0.00 C ATOM 1330 C VAL A 85 9.390 -4.773 -5.114 1.00 0.00 C ATOM 1331 O VAL A 85 8.948 -5.889 -5.395 1.00 0.00 O ATOM 1332 CB VAL A 85 7.921 -4.234 -3.097 1.00 0.00 C ATOM 1333 CG1 VAL A 85 9.059 -4.684 -2.145 1.00 0.00 C ATOM 1334 CG2 VAL A 85 7.028 -3.159 -2.431 1.00 0.00 C ATOM 0 H VAL A 85 6.659 -3.977 -5.454 1.00 0.00 H new ATOM 0 HA VAL A 85 9.067 -2.812 -4.223 1.00 0.00 H new ATOM 0 HB VAL A 85 7.302 -5.107 -3.304 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.630 -5.041 -1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.628 -5.487 -2.613 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.720 -3.841 -1.943 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.641 -3.542 -1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.617 -2.261 -2.244 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.196 -2.916 -3.092 1.00 0.00 H new ATOM 1344 N ASP A 86 10.634 -4.380 -5.378 1.00 0.00 N ATOM 1345 CA ASP A 86 11.677 -5.242 -5.939 1.00 0.00 C ATOM 1346 C ASP A 86 12.599 -5.697 -4.797 1.00 0.00 C ATOM 1347 O ASP A 86 12.666 -5.038 -3.750 1.00 0.00 O ATOM 1348 CB ASP A 86 12.446 -4.430 -7.026 1.00 0.00 C ATOM 1349 CG ASP A 86 13.632 -5.132 -7.729 1.00 0.00 C ATOM 1350 OD1 ASP A 86 13.689 -6.376 -7.790 1.00 0.00 O ATOM 1351 OD2 ASP A 86 14.506 -4.410 -8.253 1.00 0.00 O ATOM 0 H ASP A 86 10.955 -3.428 -5.204 1.00 0.00 H new ATOM 0 HA ASP A 86 11.260 -6.132 -6.409 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.731 -4.129 -7.791 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.821 -3.517 -6.563 1.00 0.00 H new ATOM 1356 N SER A 87 13.287 -6.820 -5.012 1.00 0.00 N ATOM 1357 CA SER A 87 14.198 -7.442 -4.039 1.00 0.00 C ATOM 1358 C SER A 87 15.267 -6.457 -3.514 1.00 0.00 C ATOM 1359 O SER A 87 15.680 -6.539 -2.345 1.00 0.00 O ATOM 1360 CB SER A 87 14.858 -8.663 -4.709 1.00 0.00 C ATOM 1361 OG SER A 87 15.568 -9.478 -3.787 1.00 0.00 O ATOM 0 H SER A 87 13.227 -7.338 -5.889 1.00 0.00 H new ATOM 0 HA SER A 87 13.621 -7.751 -3.167 1.00 0.00 H new ATOM 0 HB2 SER A 87 14.091 -9.261 -5.200 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.541 -8.321 -5.486 1.00 0.00 H new ATOM 0 HG SER A 87 15.632 -10.390 -4.139 1.00 0.00 H new ATOM 1367 N LYS A 88 15.696 -5.522 -4.379 1.00 0.00 N ATOM 1368 CA LYS A 88 16.672 -4.489 -3.999 1.00 0.00 C ATOM 1369 C LYS A 88 16.034 -3.479 -3.012 1.00 0.00 C ATOM 1370 O LYS A 88 16.537 -3.291 -1.898 1.00 0.00 O ATOM 1371 CB LYS A 88 17.250 -3.749 -5.235 1.00 0.00 C ATOM 1372 CG LYS A 88 18.161 -4.590 -6.169 1.00 0.00 C ATOM 1373 CD LYS A 88 17.382 -5.492 -7.141 1.00 0.00 C ATOM 1374 CE LYS A 88 18.281 -6.113 -8.217 1.00 0.00 C ATOM 1375 NZ LYS A 88 17.487 -6.763 -9.292 1.00 0.00 N ATOM 0 H LYS A 88 15.381 -5.461 -5.347 1.00 0.00 H new ATOM 0 HA LYS A 88 17.503 -4.993 -3.505 1.00 0.00 H new ATOM 0 HB2 LYS A 88 16.418 -3.363 -5.824 1.00 0.00 H new ATOM 0 HB3 LYS A 88 17.819 -2.888 -4.884 1.00 0.00 H new ATOM 0 HG2 LYS A 88 18.798 -3.917 -6.743 1.00 0.00 H new ATOM 0 HG3 LYS A 88 18.819 -5.210 -5.559 1.00 0.00 H new ATOM 0 HD2 LYS A 88 16.891 -6.287 -6.579 1.00 0.00 H new ATOM 0 HD3 LYS A 88 16.596 -4.909 -7.621 1.00 0.00 H new ATOM 0 HE2 LYS A 88 18.916 -5.340 -8.651 1.00 0.00 H new ATOM 0 HE3 LYS A 88 18.942 -6.848 -7.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 18.126 -7.096 -10.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 16.965 -7.571 -8.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 16.814 -6.077 -9.690 1.00 0.00 H new ATOM 1389 N ASN A 89 14.890 -2.869 -3.401 1.00 0.00 N ATOM 1390 CA ASN A 89 14.206 -1.832 -2.569 1.00 0.00 C ATOM 1391 C ASN A 89 13.223 -2.471 -1.556 1.00 0.00 C ATOM 1392 O ASN A 89 12.335 -1.797 -1.021 1.00 0.00 O ATOM 1393 CB ASN A 89 13.489 -0.771 -3.468 1.00 0.00 C ATOM 1394 CG ASN A 89 12.161 -1.239 -4.072 1.00 0.00 C ATOM 1395 OD1 ASN A 89 12.148 -1.895 -5.098 1.00 0.00 O ATOM 1396 ND2 ASN A 89 11.044 -0.874 -3.455 1.00 0.00 N ATOM 0 H ASN A 89 14.417 -3.071 -4.282 1.00 0.00 H new ATOM 0 HA ASN A 89 14.973 -1.315 -1.993 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.307 0.125 -2.875 1.00 0.00 H new ATOM 0 HB3 ASN A 89 14.161 -0.487 -4.278 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.138 -1.143 -3.839 1.00 0.00 H new ATOM 0 HD22 ASN A 89 11.092 -0.324 -2.597 1.00 0.00 H new ATOM 1403 N PHE A 90 13.426 -3.771 -1.278 1.00 0.00 N ATOM 1404 CA PHE A 90 12.639 -4.545 -0.302 1.00 0.00 C ATOM 1405 C PHE A 90 12.677 -3.902 1.101 1.00 0.00 C ATOM 1406 O PHE A 90 11.679 -3.917 1.824 1.00 0.00 O ATOM 1407 CB PHE A 90 13.177 -6.001 -0.255 1.00 0.00 C ATOM 1408 CG PHE A 90 12.569 -6.857 0.856 1.00 0.00 C ATOM 1409 CD1 PHE A 90 11.251 -7.293 0.769 1.00 0.00 C ATOM 1410 CD2 PHE A 90 13.301 -7.187 1.993 1.00 0.00 C ATOM 1411 CE1 PHE A 90 10.686 -8.037 1.781 1.00 0.00 C ATOM 1412 CE2 PHE A 90 12.732 -7.924 3.007 1.00 0.00 C ATOM 1413 CZ PHE A 90 11.424 -8.349 2.898 1.00 0.00 C ATOM 0 H PHE A 90 14.154 -4.322 -1.733 1.00 0.00 H new ATOM 0 HA PHE A 90 11.597 -4.550 -0.621 1.00 0.00 H new ATOM 0 HB2 PHE A 90 12.983 -6.480 -1.215 1.00 0.00 H new ATOM 0 HB3 PHE A 90 14.259 -5.973 -0.126 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.664 -7.045 -0.103 1.00 0.00 H new ATOM 0 HD2 PHE A 90 14.327 -6.861 2.081 1.00 0.00 H new ATOM 0 HE1 PHE A 90 9.664 -8.375 1.697 1.00 0.00 H new ATOM 0 HE2 PHE A 90 13.309 -8.169 3.887 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.978 -8.929 3.693 1.00 0.00 H new ATOM 1423 N LEU A 91 13.836 -3.347 1.471 1.00 0.00 N ATOM 1424 CA LEU A 91 14.034 -2.722 2.790 1.00 0.00 C ATOM 1425 C LEU A 91 13.493 -1.280 2.806 1.00 0.00 C ATOM 1426 O LEU A 91 13.296 -0.705 3.879 1.00 0.00 O ATOM 1427 CB LEU A 91 15.534 -2.768 3.206 1.00 0.00 C ATOM 1428 CG LEU A 91 16.152 -4.192 3.458 1.00 0.00 C ATOM 1429 CD1 LEU A 91 15.232 -5.052 4.367 1.00 0.00 C ATOM 1430 CD2 LEU A 91 16.493 -4.923 2.133 1.00 0.00 C ATOM 0 H LEU A 91 14.661 -3.316 0.871 1.00 0.00 H new ATOM 0 HA LEU A 91 13.467 -3.295 3.524 1.00 0.00 H new ATOM 0 HB2 LEU A 91 16.118 -2.276 2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 91 15.653 -2.179 4.115 1.00 0.00 H new ATOM 0 HG LEU A 91 17.094 -4.045 3.986 1.00 0.00 H new ATOM 0 HD11 LEU A 91 15.686 -6.030 4.523 1.00 0.00 H new ATOM 0 HD12 LEU A 91 15.103 -4.555 5.328 1.00 0.00 H new ATOM 0 HD13 LEU A 91 14.260 -5.175 3.889 1.00 0.00 H new ATOM 0 HD21 LEU A 91 16.917 -5.902 2.356 1.00 0.00 H new ATOM 0 HD22 LEU A 91 15.586 -5.047 1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 91 17.216 -4.335 1.569 1.00 0.00 H new ATOM 1442 N ASP A 92 13.241 -0.716 1.616 1.00 0.00 N ATOM 1443 CA ASP A 92 12.692 0.642 1.451 1.00 0.00 C ATOM 1444 C ASP A 92 11.153 0.587 1.395 1.00 0.00 C ATOM 1445 O ASP A 92 10.577 -0.053 0.500 1.00 0.00 O ATOM 1446 CB ASP A 92 13.250 1.297 0.156 1.00 0.00 C ATOM 1447 CG ASP A 92 14.784 1.368 0.135 1.00 0.00 C ATOM 1448 OD1 ASP A 92 15.363 2.327 0.696 1.00 0.00 O ATOM 1449 OD2 ASP A 92 15.424 0.454 -0.423 1.00 0.00 O ATOM 0 H ASP A 92 13.414 -1.193 0.731 1.00 0.00 H new ATOM 0 HA ASP A 92 12.994 1.247 2.306 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.906 0.730 -0.709 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.843 2.304 0.060 1.00 0.00 H new ATOM 1454 N LYS A 93 10.486 1.245 2.367 1.00 0.00 N ATOM 1455 CA LYS A 93 9.015 1.354 2.398 1.00 0.00 C ATOM 1456 C LYS A 93 8.557 2.514 1.493 1.00 0.00 C ATOM 1457 O LYS A 93 9.289 3.487 1.296 1.00 0.00 O ATOM 1458 CB LYS A 93 8.505 1.567 3.849 1.00 0.00 C ATOM 1459 CG LYS A 93 8.893 2.925 4.482 1.00 0.00 C ATOM 1460 CD LYS A 93 8.319 3.108 5.903 1.00 0.00 C ATOM 1461 CE LYS A 93 8.556 4.522 6.458 1.00 0.00 C ATOM 1462 NZ LYS A 93 8.031 4.666 7.844 1.00 0.00 N ATOM 0 H LYS A 93 10.950 1.712 3.146 1.00 0.00 H new ATOM 0 HA LYS A 93 8.591 0.422 2.025 1.00 0.00 H new ATOM 0 HB2 LYS A 93 7.419 1.477 3.854 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.894 0.765 4.477 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.979 3.006 4.521 1.00 0.00 H new ATOM 0 HG3 LYS A 93 8.536 3.733 3.844 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.249 2.902 5.888 1.00 0.00 H new ATOM 0 HD3 LYS A 93 8.775 2.378 6.572 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.624 4.742 6.449 1.00 0.00 H new ATOM 0 HE3 LYS A 93 8.074 5.253 5.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.209 5.633 8.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.008 4.481 7.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.509 3.986 8.469 1.00 0.00 H new ATOM 1476 N GLN A 94 7.343 2.409 0.967 1.00 0.00 N ATOM 1477 CA GLN A 94 6.769 3.383 0.021 1.00 0.00 C ATOM 1478 C GLN A 94 5.273 3.580 0.323 1.00 0.00 C ATOM 1479 O GLN A 94 4.492 4.026 -0.532 1.00 0.00 O ATOM 1480 CB GLN A 94 7.018 2.922 -1.452 1.00 0.00 C ATOM 1481 CG GLN A 94 6.474 1.524 -1.818 1.00 0.00 C ATOM 1482 CD GLN A 94 7.277 0.353 -1.223 1.00 0.00 C ATOM 1483 OE1 GLN A 94 6.984 -0.124 -0.131 1.00 0.00 O ATOM 1484 NE2 GLN A 94 8.305 -0.100 -1.924 1.00 0.00 N ATOM 0 H GLN A 94 6.713 1.637 1.183 1.00 0.00 H new ATOM 0 HA GLN A 94 7.262 4.347 0.142 1.00 0.00 H new ATOM 0 HB2 GLN A 94 6.568 3.654 -2.123 1.00 0.00 H new ATOM 0 HB3 GLN A 94 8.092 2.935 -1.640 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.441 1.449 -1.479 1.00 0.00 H new ATOM 0 HG3 GLN A 94 6.461 1.425 -2.903 1.00 0.00 H new ATOM 0 HE21 GLN A 94 8.527 0.314 -2.829 1.00 0.00 H new ATOM 0 HE22 GLN A 94 8.875 -0.863 -1.559 1.00 0.00 H new ATOM 1493 N ASN A 95 4.902 3.279 1.578 1.00 0.00 N ATOM 1494 CA ASN A 95 3.538 3.428 2.089 1.00 0.00 C ATOM 1495 C ASN A 95 3.117 4.911 2.114 1.00 0.00 C ATOM 1496 O ASN A 95 3.700 5.722 2.837 1.00 0.00 O ATOM 1497 CB ASN A 95 3.421 2.778 3.502 1.00 0.00 C ATOM 1498 CG ASN A 95 4.367 3.368 4.564 1.00 0.00 C ATOM 1499 OD1 ASN A 95 5.498 3.748 4.270 1.00 0.00 O ATOM 1500 ND2 ASN A 95 3.897 3.468 5.797 1.00 0.00 N ATOM 0 H ASN A 95 5.555 2.920 2.274 1.00 0.00 H new ATOM 0 HA ASN A 95 2.854 2.909 1.418 1.00 0.00 H new ATOM 0 HB2 ASN A 95 2.394 2.884 3.851 1.00 0.00 H new ATOM 0 HB3 ASN A 95 3.619 1.710 3.413 1.00 0.00 H new ATOM 0 HD21 ASN A 95 4.478 3.869 6.533 1.00 0.00 H new ATOM 0 HD22 ASN A 95 2.954 3.144 6.011 1.00 0.00 H new ATOM 1507 N ARG A 96 2.122 5.264 1.282 1.00 0.00 N ATOM 1508 CA ARG A 96 1.606 6.641 1.199 1.00 0.00 C ATOM 1509 C ARG A 96 0.586 6.914 2.313 1.00 0.00 C ATOM 1510 O ARG A 96 0.089 6.001 2.981 1.00 0.00 O ATOM 1511 CB ARG A 96 0.946 6.929 -0.186 1.00 0.00 C ATOM 1512 CG ARG A 96 1.846 6.657 -1.411 1.00 0.00 C ATOM 1513 CD ARG A 96 1.253 7.224 -2.718 1.00 0.00 C ATOM 1514 NE ARG A 96 -0.123 6.751 -2.995 1.00 0.00 N ATOM 1515 CZ ARG A 96 -0.472 5.889 -3.965 1.00 0.00 C ATOM 1516 NH1 ARG A 96 0.441 5.378 -4.784 1.00 0.00 N ATOM 1517 NH2 ARG A 96 -1.745 5.544 -4.108 1.00 0.00 N ATOM 0 H ARG A 96 1.656 4.609 0.653 1.00 0.00 H new ATOM 0 HA ARG A 96 2.461 7.306 1.321 1.00 0.00 H new ATOM 0 HB2 ARG A 96 0.045 6.322 -0.275 1.00 0.00 H new ATOM 0 HB3 ARG A 96 0.631 7.972 -0.211 1.00 0.00 H new ATOM 0 HG2 ARG A 96 2.829 7.097 -1.241 1.00 0.00 H new ATOM 0 HG3 ARG A 96 1.993 5.582 -1.519 1.00 0.00 H new ATOM 0 HD2 ARG A 96 1.251 8.313 -2.665 1.00 0.00 H new ATOM 0 HD3 ARG A 96 1.899 6.947 -3.551 1.00 0.00 H new ATOM 0 HE ARG A 96 -0.869 7.110 -2.399 1.00 0.00 H new ATOM 0 HH11 ARG A 96 1.422 5.639 -4.681 1.00 0.00 H new ATOM 0 HH12 ARG A 96 0.161 4.725 -5.516 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -2.452 5.933 -3.484 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -2.017 4.890 -4.842 1.00 0.00 H new ATOM 1531 N GLU A 97 0.311 8.195 2.495 1.00 0.00 N ATOM 1532 CA GLU A 97 -0.761 8.705 3.341 1.00 0.00 C ATOM 1533 C GLU A 97 -1.533 9.682 2.469 1.00 0.00 C ATOM 1534 O GLU A 97 -0.939 10.608 1.900 1.00 0.00 O ATOM 1535 CB GLU A 97 -0.165 9.361 4.619 1.00 0.00 C ATOM 1536 CG GLU A 97 -1.181 9.891 5.664 1.00 0.00 C ATOM 1537 CD GLU A 97 -1.672 11.336 5.397 1.00 0.00 C ATOM 1538 OE1 GLU A 97 -1.028 12.297 5.871 1.00 0.00 O ATOM 1539 OE2 GLU A 97 -2.692 11.516 4.708 1.00 0.00 O ATOM 0 H GLU A 97 0.846 8.936 2.043 1.00 0.00 H new ATOM 0 HA GLU A 97 -1.429 7.924 3.704 1.00 0.00 H new ATOM 0 HB2 GLU A 97 0.478 8.630 5.109 1.00 0.00 H new ATOM 0 HB3 GLU A 97 0.472 10.190 4.311 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -2.043 9.225 5.686 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -0.723 9.852 6.652 1.00 0.00 H new ATOM 1546 N GLU A 98 -2.848 9.457 2.326 1.00 0.00 N ATOM 1547 CA GLU A 98 -3.695 10.217 1.390 1.00 0.00 C ATOM 1548 C GLU A 98 -4.946 10.763 2.093 1.00 0.00 C ATOM 1549 O GLU A 98 -5.701 10.017 2.724 1.00 0.00 O ATOM 1550 CB GLU A 98 -4.103 9.338 0.169 1.00 0.00 C ATOM 1551 CG GLU A 98 -2.909 8.786 -0.648 1.00 0.00 C ATOM 1552 CD GLU A 98 -3.313 8.119 -1.970 1.00 0.00 C ATOM 1553 OE1 GLU A 98 -3.573 8.851 -2.945 1.00 0.00 O ATOM 1554 OE2 GLU A 98 -3.362 6.875 -2.042 1.00 0.00 O ATOM 0 H GLU A 98 -3.354 8.746 2.853 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.109 11.062 1.028 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -4.703 8.500 0.524 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -4.738 9.928 -0.492 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.219 9.603 -0.861 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -2.368 8.062 -0.038 1.00 0.00 H new ATOM 1561 N THR A 99 -5.143 12.082 1.985 1.00 0.00 N ATOM 1562 CA THR A 99 -6.350 12.762 2.452 1.00 0.00 C ATOM 1563 C THR A 99 -7.274 13.018 1.255 1.00 0.00 C ATOM 1564 O THR A 99 -6.834 13.615 0.261 1.00 0.00 O ATOM 1565 CB THR A 99 -6.001 14.138 3.117 1.00 0.00 C ATOM 1566 OG1 THR A 99 -4.877 13.988 4.003 1.00 0.00 O ATOM 1567 CG2 THR A 99 -7.196 14.701 3.906 1.00 0.00 C ATOM 0 H THR A 99 -4.459 12.712 1.566 1.00 0.00 H new ATOM 0 HA THR A 99 -6.838 12.127 3.192 1.00 0.00 H new ATOM 0 HB THR A 99 -5.753 14.837 2.318 1.00 0.00 H new ATOM 0 HG1 THR A 99 -4.938 13.126 4.466 1.00 0.00 H new ATOM 0 HG21 THR A 99 -6.919 15.655 4.354 1.00 0.00 H new ATOM 0 HG22 THR A 99 -8.040 14.848 3.232 1.00 0.00 H new ATOM 0 HG23 THR A 99 -7.476 13.999 4.692 1.00 0.00 H new ATOM 1575 N VAL A 100 -8.530 12.567 1.326 1.00 0.00 N ATOM 1576 CA VAL A 100 -9.553 12.994 0.353 1.00 0.00 C ATOM 1577 C VAL A 100 -10.322 14.176 0.981 1.00 0.00 C ATOM 1578 O VAL A 100 -10.607 14.160 2.194 1.00 0.00 O ATOM 1579 CB VAL A 100 -10.522 11.819 -0.085 1.00 0.00 C ATOM 1580 CG1 VAL A 100 -9.753 10.487 -0.273 1.00 0.00 C ATOM 1581 CG2 VAL A 100 -11.725 11.638 0.858 1.00 0.00 C ATOM 0 H VAL A 100 -8.865 11.915 2.035 1.00 0.00 H new ATOM 0 HA VAL A 100 -9.066 13.304 -0.572 1.00 0.00 H new ATOM 0 HB VAL A 100 -10.932 12.115 -1.050 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -10.449 9.704 -0.573 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -8.993 10.612 -1.044 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -9.275 10.207 0.666 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -12.347 10.818 0.500 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -11.369 11.412 1.863 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -12.312 12.556 0.879 1.00 0.00 H new ATOM 1591 N ILE A 101 -10.601 15.221 0.184 1.00 0.00 N ATOM 1592 CA ILE A 101 -11.184 16.475 0.709 1.00 0.00 C ATOM 1593 C ILE A 101 -12.663 16.587 0.325 1.00 0.00 C ATOM 1594 O ILE A 101 -12.984 16.772 -0.850 1.00 0.00 O ATOM 1595 CB ILE A 101 -10.384 17.739 0.207 1.00 0.00 C ATOM 1596 CG1 ILE A 101 -8.876 17.651 0.622 1.00 0.00 C ATOM 1597 CG2 ILE A 101 -11.020 19.049 0.728 1.00 0.00 C ATOM 1598 CD1 ILE A 101 -8.617 17.554 2.122 1.00 0.00 C ATOM 0 H ILE A 101 -10.434 15.226 -0.822 1.00 0.00 H new ATOM 0 HA ILE A 101 -11.108 16.444 1.796 1.00 0.00 H new ATOM 0 HB ILE A 101 -10.437 17.751 -0.882 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -8.433 16.781 0.137 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -8.358 18.529 0.237 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -10.446 19.902 0.365 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -12.046 19.123 0.369 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -11.016 19.047 1.818 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -7.544 17.498 2.303 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -9.023 18.435 2.619 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -9.099 16.660 2.517 1.00 0.00 H new ATOM 1610 N TYR A 102 -13.557 16.489 1.322 1.00 0.00 N ATOM 1611 CA TYR A 102 -14.996 16.678 1.131 1.00 0.00 C ATOM 1612 C TYR A 102 -15.335 18.160 1.229 1.00 0.00 C ATOM 1613 O TYR A 102 -15.380 18.721 2.324 1.00 0.00 O ATOM 1614 CB TYR A 102 -15.821 15.900 2.194 1.00 0.00 C ATOM 1615 CG TYR A 102 -15.836 14.382 2.023 1.00 0.00 C ATOM 1616 CD1 TYR A 102 -14.841 13.583 2.584 1.00 0.00 C ATOM 1617 CD2 TYR A 102 -16.858 13.754 1.312 1.00 0.00 C ATOM 1618 CE1 TYR A 102 -14.873 12.219 2.442 1.00 0.00 C ATOM 1619 CE2 TYR A 102 -16.884 12.385 1.166 1.00 0.00 C ATOM 1620 CZ TYR A 102 -15.887 11.626 1.736 1.00 0.00 C ATOM 1621 OH TYR A 102 -15.912 10.270 1.624 1.00 0.00 O ATOM 0 H TYR A 102 -13.297 16.276 2.285 1.00 0.00 H new ATOM 0 HA TYR A 102 -15.254 16.293 0.144 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -15.424 16.134 3.182 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -16.849 16.262 2.170 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -14.035 14.043 3.137 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -17.642 14.351 0.869 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -14.098 11.612 2.887 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -17.679 11.911 0.610 1.00 0.00 H new ATOM 0 HH TYR A 102 -16.840 9.956 1.657 1.00 0.00 H new ATOM 1631 N SER A 103 -15.584 18.791 0.091 1.00 0.00 N ATOM 1632 CA SER A 103 -16.141 20.139 0.066 1.00 0.00 C ATOM 1633 C SER A 103 -17.659 20.014 0.050 1.00 0.00 C ATOM 1634 O SER A 103 -18.182 18.891 -0.001 1.00 0.00 O ATOM 1635 CB SER A 103 -15.620 20.913 -1.162 1.00 0.00 C ATOM 1636 OG SER A 103 -15.960 20.270 -2.378 1.00 0.00 O ATOM 0 H SER A 103 -15.409 18.391 -0.831 1.00 0.00 H new ATOM 0 HA SER A 103 -15.832 20.702 0.947 1.00 0.00 H new ATOM 0 HB2 SER A 103 -16.034 21.921 -1.157 1.00 0.00 H new ATOM 0 HB3 SER A 103 -14.537 21.012 -1.095 1.00 0.00 H new ATOM 0 HG SER A 103 -16.926 20.339 -2.526 1.00 0.00 H new ATOM 1642 N ALA A 104 -18.363 21.144 0.123 1.00 0.00 N ATOM 1643 CA ALA A 104 -19.806 21.184 -0.159 1.00 0.00 C ATOM 1644 C ALA A 104 -20.094 20.528 -1.531 1.00 0.00 C ATOM 1645 O ALA A 104 -19.200 20.461 -2.397 1.00 0.00 O ATOM 1646 CB ALA A 104 -20.329 22.619 -0.083 1.00 0.00 C ATOM 0 H ALA A 104 -17.961 22.047 0.375 1.00 0.00 H new ATOM 0 HA ALA A 104 -20.339 20.611 0.600 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -21.398 22.628 -0.295 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -20.153 23.018 0.916 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -19.809 23.235 -0.816 1.00 0.00 H new ATOM 1652 N ASN A 105 -21.332 20.042 -1.699 1.00 0.00 N ATOM 1653 CA ASN A 105 -21.747 19.170 -2.825 1.00 0.00 C ATOM 1654 C ASN A 105 -21.357 19.724 -4.209 1.00 0.00 C ATOM 1655 O ASN A 105 -21.102 20.917 -4.352 1.00 0.00 O ATOM 1656 CB ASN A 105 -23.282 18.944 -2.736 1.00 0.00 C ATOM 1657 CG ASN A 105 -23.794 17.792 -3.597 1.00 0.00 C ATOM 1658 OD1 ASN A 105 -24.295 17.995 -4.703 1.00 0.00 O ATOM 1659 ND2 ASN A 105 -23.634 16.573 -3.109 1.00 0.00 N ATOM 0 H ASN A 105 -22.092 20.243 -1.049 1.00 0.00 H new ATOM 0 HA ASN A 105 -21.211 18.226 -2.729 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -23.551 18.754 -1.697 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -23.791 19.860 -3.034 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -23.930 15.763 -3.653 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -23.215 16.443 -2.188 1.00 0.00 H new ATOM 1666 N THR A 106 -21.344 18.835 -5.220 1.00 0.00 N ATOM 1667 CA THR A 106 -20.943 19.136 -6.617 1.00 0.00 C ATOM 1668 C THR A 106 -21.553 20.451 -7.181 1.00 0.00 C ATOM 1669 O THR A 106 -20.990 21.054 -8.109 1.00 0.00 O ATOM 1670 CB THR A 106 -21.328 17.941 -7.553 1.00 0.00 C ATOM 1671 OG1 THR A 106 -20.904 18.189 -8.905 1.00 0.00 O ATOM 1672 CG2 THR A 106 -22.841 17.668 -7.522 1.00 0.00 C ATOM 0 H THR A 106 -21.618 17.861 -5.090 1.00 0.00 H new ATOM 0 HA THR A 106 -19.863 19.279 -6.594 1.00 0.00 H new ATOM 0 HB THR A 106 -20.811 17.058 -7.178 1.00 0.00 H new ATOM 0 HG1 THR A 106 -21.154 17.429 -9.471 1.00 0.00 H new ATOM 0 HG21 THR A 106 -23.074 16.833 -8.183 1.00 0.00 H new ATOM 0 HG22 THR A 106 -23.146 17.422 -6.505 1.00 0.00 H new ATOM 0 HG23 THR A 106 -23.378 18.556 -7.857 1.00 0.00 H new ATOM 1680 N ILE A 107 -22.694 20.876 -6.607 1.00 0.00 N ATOM 1681 CA ILE A 107 -23.385 22.126 -6.981 1.00 0.00 C ATOM 1682 C ILE A 107 -22.454 23.359 -6.840 1.00 0.00 C ATOM 1683 O ILE A 107 -22.423 24.221 -7.731 1.00 0.00 O ATOM 1684 CB ILE A 107 -24.679 22.316 -6.105 1.00 0.00 C ATOM 1685 CG1 ILE A 107 -25.605 21.059 -6.207 1.00 0.00 C ATOM 1686 CG2 ILE A 107 -25.446 23.611 -6.467 1.00 0.00 C ATOM 1687 CD1 ILE A 107 -26.090 20.698 -7.611 1.00 0.00 C ATOM 0 H ILE A 107 -23.166 20.359 -5.866 1.00 0.00 H new ATOM 0 HA ILE A 107 -23.671 22.046 -8.030 1.00 0.00 H new ATOM 0 HB ILE A 107 -24.358 22.422 -5.069 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -25.069 20.203 -5.798 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -26.477 21.222 -5.573 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -26.331 23.698 -5.836 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -24.799 24.474 -6.307 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -25.749 23.574 -7.513 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -26.723 19.812 -7.561 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -26.661 21.529 -8.024 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -25.232 20.495 -8.251 1.00 0.00 H new ATOM 1699 N THR A 108 -21.703 23.442 -5.723 1.00 0.00 N ATOM 1700 CA THR A 108 -20.755 24.557 -5.494 1.00 0.00 C ATOM 1701 C THR A 108 -19.486 24.403 -6.365 1.00 0.00 C ATOM 1702 O THR A 108 -18.838 25.397 -6.722 1.00 0.00 O ATOM 1703 CB THR A 108 -20.346 24.675 -3.983 1.00 0.00 C ATOM 1704 OG1 THR A 108 -19.657 25.918 -3.751 1.00 0.00 O ATOM 1705 CG2 THR A 108 -19.452 23.511 -3.523 1.00 0.00 C ATOM 0 H THR A 108 -21.732 22.756 -4.969 1.00 0.00 H new ATOM 0 HA THR A 108 -21.274 25.471 -5.782 1.00 0.00 H new ATOM 0 HB THR A 108 -21.268 24.639 -3.403 1.00 0.00 H new ATOM 0 HG1 THR A 108 -19.408 25.982 -2.805 1.00 0.00 H new ATOM 0 HG21 THR A 108 -19.198 23.641 -2.471 1.00 0.00 H new ATOM 0 HG22 THR A 108 -19.985 22.569 -3.654 1.00 0.00 H new ATOM 0 HG23 THR A 108 -18.539 23.497 -4.118 1.00 0.00 H new ATOM 1713 N GLN A 109 -19.137 23.147 -6.693 1.00 0.00 N ATOM 1714 CA GLN A 109 -17.920 22.816 -7.453 1.00 0.00 C ATOM 1715 C GLN A 109 -18.099 23.165 -8.941 1.00 0.00 C ATOM 1716 O GLN A 109 -19.091 22.784 -9.564 1.00 0.00 O ATOM 1717 CB GLN A 109 -17.561 21.316 -7.285 1.00 0.00 C ATOM 1718 CG GLN A 109 -17.195 20.899 -5.840 1.00 0.00 C ATOM 1719 CD GLN A 109 -16.798 19.421 -5.689 1.00 0.00 C ATOM 1720 OE1 GLN A 109 -17.038 18.814 -4.654 1.00 0.00 O ATOM 1721 NE2 GLN A 109 -16.157 18.844 -6.699 1.00 0.00 N ATOM 0 H GLN A 109 -19.693 22.331 -6.438 1.00 0.00 H new ATOM 0 HA GLN A 109 -17.098 23.412 -7.057 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -18.406 20.714 -7.620 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -16.722 21.081 -7.940 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -16.371 21.522 -5.492 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -18.045 21.103 -5.189 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -15.969 19.371 -7.552 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -15.853 17.873 -6.622 1.00 0.00 H new ATOM 1730 N ASN A 110 -17.122 23.911 -9.478 1.00 0.00 N ATOM 1731 CA ASN A 110 -17.063 24.321 -10.894 1.00 0.00 C ATOM 1732 C ASN A 110 -16.711 23.136 -11.812 1.00 0.00 C ATOM 1733 O ASN A 110 -16.344 22.049 -11.347 1.00 0.00 O ATOM 1734 CB ASN A 110 -16.018 25.458 -11.081 1.00 0.00 C ATOM 1735 CG ASN A 110 -16.320 26.704 -10.242 1.00 0.00 C ATOM 1736 OD1 ASN A 110 -17.045 27.600 -10.676 1.00 0.00 O ATOM 1737 ND2 ASN A 110 -15.751 26.778 -9.047 1.00 0.00 N ATOM 0 H ASN A 110 -16.333 24.255 -8.931 1.00 0.00 H new ATOM 0 HA ASN A 110 -18.052 24.685 -11.174 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -15.030 25.081 -10.816 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -15.981 25.738 -12.134 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -15.908 27.595 -8.457 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -15.156 26.018 -8.718 1.00 0.00 H new ATOM 1744 N LYS A 111 -16.816 23.378 -13.129 1.00 0.00 N ATOM 1745 CA LYS A 111 -16.533 22.380 -14.172 1.00 0.00 C ATOM 1746 C LYS A 111 -15.027 22.388 -14.489 1.00 0.00 C ATOM 1747 O LYS A 111 -14.558 23.098 -15.385 1.00 0.00 O ATOM 1748 CB LYS A 111 -17.374 22.640 -15.454 1.00 0.00 C ATOM 1749 CG LYS A 111 -18.916 22.537 -15.280 1.00 0.00 C ATOM 1750 CD LYS A 111 -19.539 23.714 -14.500 1.00 0.00 C ATOM 1751 CE LYS A 111 -21.054 23.553 -14.295 1.00 0.00 C ATOM 1752 NZ LYS A 111 -21.638 24.714 -13.573 1.00 0.00 N ATOM 0 H LYS A 111 -17.103 24.283 -13.503 1.00 0.00 H new ATOM 0 HA LYS A 111 -16.817 21.395 -13.800 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -17.135 23.635 -15.828 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -17.065 21.929 -16.220 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -19.380 22.481 -16.265 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -19.152 21.607 -14.763 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -19.052 23.799 -13.529 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -19.346 24.643 -15.036 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -21.543 23.443 -15.263 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -21.250 22.639 -13.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -22.661 24.570 -13.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -21.189 24.803 -12.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -21.473 25.582 -14.121 1.00 0.00 H new ATOM 1766 N LYS A 112 -14.290 21.620 -13.699 1.00 0.00 N ATOM 1767 CA LYS A 112 -12.812 21.538 -13.755 1.00 0.00 C ATOM 1768 C LYS A 112 -12.377 20.227 -14.386 1.00 0.00 C ATOM 1769 O LYS A 112 -11.322 20.134 -15.023 1.00 0.00 O ATOM 1770 CB LYS A 112 -12.230 21.592 -12.323 1.00 0.00 C ATOM 1771 CG LYS A 112 -12.676 22.808 -11.507 1.00 0.00 C ATOM 1772 CD LYS A 112 -11.966 22.895 -10.140 1.00 0.00 C ATOM 1773 CE LYS A 112 -10.441 23.056 -10.258 1.00 0.00 C ATOM 1774 NZ LYS A 112 -10.053 24.359 -10.865 1.00 0.00 N ATOM 0 H LYS A 112 -14.697 21.019 -12.982 1.00 0.00 H new ATOM 0 HA LYS A 112 -12.449 22.376 -14.349 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -12.520 20.686 -11.791 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -11.142 21.590 -12.385 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -12.475 23.716 -12.075 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -13.754 22.761 -11.351 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -12.372 23.738 -9.580 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -12.186 21.995 -9.566 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -9.992 22.971 -9.268 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -10.038 22.243 -10.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.016 24.427 -10.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -10.444 24.424 -11.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -10.428 25.137 -10.286 1.00 0.00 H new ATOM 1788 N ASP A 113 -13.191 19.213 -14.128 1.00 0.00 N ATOM 1789 CA ASP A 113 -12.892 17.814 -14.443 1.00 0.00 C ATOM 1790 C ASP A 113 -13.137 17.511 -15.930 1.00 0.00 C ATOM 1791 O ASP A 113 -14.138 16.900 -16.320 1.00 0.00 O ATOM 1792 CB ASP A 113 -13.729 16.895 -13.539 1.00 0.00 C ATOM 1793 CG ASP A 113 -13.661 17.292 -12.050 1.00 0.00 C ATOM 1794 OD1 ASP A 113 -14.356 18.256 -11.651 1.00 0.00 O ATOM 1795 OD2 ASP A 113 -12.908 16.670 -11.280 1.00 0.00 O ATOM 0 H ASP A 113 -14.100 19.338 -13.683 1.00 0.00 H new ATOM 0 HA ASP A 113 -11.835 17.628 -14.252 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -14.768 16.918 -13.869 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -13.381 15.868 -13.652 1.00 0.00 H new ATOM 1800 N GLY A 114 -12.236 18.041 -16.748 1.00 0.00 N ATOM 1801 CA GLY A 114 -12.147 17.744 -18.180 1.00 0.00 C ATOM 1802 C GLY A 114 -10.791 17.131 -18.514 1.00 0.00 C ATOM 1803 O GLY A 114 -10.446 16.946 -19.685 1.00 0.00 O ATOM 0 H GLY A 114 -11.529 18.705 -16.431 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -12.944 17.057 -18.465 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -12.292 18.657 -18.757 1.00 0.00 H new ATOM 1807 N LEU A 115 -10.021 16.824 -17.457 1.00 0.00 N ATOM 1808 CA LEU A 115 -8.684 16.233 -17.553 1.00 0.00 C ATOM 1809 C LEU A 115 -8.845 14.734 -17.822 1.00 0.00 C ATOM 1810 O LEU A 115 -8.607 14.276 -18.937 1.00 0.00 O ATOM 1811 CB LEU A 115 -7.917 16.464 -16.215 1.00 0.00 C ATOM 1812 CG LEU A 115 -7.916 17.926 -15.675 1.00 0.00 C ATOM 1813 CD1 LEU A 115 -7.382 17.989 -14.226 1.00 0.00 C ATOM 1814 CD2 LEU A 115 -7.131 18.864 -16.613 1.00 0.00 C ATOM 0 H LEU A 115 -10.320 16.984 -16.495 1.00 0.00 H new ATOM 0 HA LEU A 115 -8.116 16.694 -18.361 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -8.351 15.816 -15.453 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -6.883 16.147 -16.352 1.00 0.00 H new ATOM 0 HG LEU A 115 -8.948 18.275 -15.654 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -7.394 19.022 -13.878 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -8.014 17.381 -13.579 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -6.361 17.609 -14.198 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.147 19.877 -16.211 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -6.099 18.521 -16.691 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.591 18.858 -17.601 1.00 0.00 H new ATOM 1826 N GLU A 116 -9.324 14.031 -16.771 1.00 0.00 N ATOM 1827 CA GLU A 116 -9.635 12.590 -16.760 1.00 0.00 C ATOM 1828 C GLU A 116 -8.445 11.724 -17.199 1.00 0.00 C ATOM 1829 O GLU A 116 -8.109 11.688 -18.378 1.00 0.00 O ATOM 1830 CB GLU A 116 -10.898 12.296 -17.620 1.00 0.00 C ATOM 1831 CG GLU A 116 -12.161 13.032 -17.134 1.00 0.00 C ATOM 1832 CD GLU A 116 -13.395 12.809 -18.028 1.00 0.00 C ATOM 1833 OE1 GLU A 116 -14.116 11.804 -17.830 1.00 0.00 O ATOM 1834 OE2 GLU A 116 -13.652 13.637 -18.930 1.00 0.00 O ATOM 0 H GLU A 116 -9.511 14.474 -15.871 1.00 0.00 H new ATOM 0 HA GLU A 116 -9.848 12.316 -15.727 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.698 12.579 -18.653 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -11.089 11.223 -17.615 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.394 12.704 -16.121 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -11.950 14.100 -17.082 1.00 0.00 H new ATOM 1841 N HIS A 117 -7.831 11.011 -16.236 1.00 0.00 N ATOM 1842 CA HIS A 117 -6.716 10.074 -16.499 1.00 0.00 C ATOM 1843 C HIS A 117 -7.142 8.994 -17.510 1.00 0.00 C ATOM 1844 O HIS A 117 -8.340 8.729 -17.649 1.00 0.00 O ATOM 1845 CB HIS A 117 -6.213 9.414 -15.183 1.00 0.00 C ATOM 1846 CG HIS A 117 -7.084 8.300 -14.630 1.00 0.00 C ATOM 1847 ND1 HIS A 117 -6.687 6.973 -14.618 1.00 0.00 N ATOM 1848 CD2 HIS A 117 -8.310 8.320 -14.050 1.00 0.00 C ATOM 1849 CE1 HIS A 117 -7.629 6.237 -14.059 1.00 0.00 C ATOM 1850 NE2 HIS A 117 -8.621 7.026 -13.707 1.00 0.00 N ATOM 0 H HIS A 117 -8.092 11.067 -15.252 1.00 0.00 H new ATOM 0 HA HIS A 117 -5.893 10.647 -16.926 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -5.213 9.016 -15.357 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -6.120 10.189 -14.422 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -8.927 9.191 -13.888 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -7.592 5.167 -13.915 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -9.483 6.725 -13.252 1.00 0.00 H new ATOM 1859 N HIS A 118 -6.166 8.395 -18.215 1.00 0.00 N ATOM 1860 CA HIS A 118 -6.432 7.356 -19.226 1.00 0.00 C ATOM 1861 C HIS A 118 -7.079 6.118 -18.569 1.00 0.00 C ATOM 1862 O HIS A 118 -6.390 5.191 -18.111 1.00 0.00 O ATOM 1863 CB HIS A 118 -5.145 6.965 -20.000 1.00 0.00 C ATOM 1864 CG HIS A 118 -4.497 8.105 -20.749 1.00 0.00 C ATOM 1865 ND1 HIS A 118 -3.360 8.750 -20.311 1.00 0.00 N ATOM 1866 CD2 HIS A 118 -4.830 8.706 -21.920 1.00 0.00 C ATOM 1867 CE1 HIS A 118 -3.025 9.693 -21.165 1.00 0.00 C ATOM 1868 NE2 HIS A 118 -3.897 9.686 -22.152 1.00 0.00 N ATOM 0 H HIS A 118 -5.177 8.616 -18.101 1.00 0.00 H new ATOM 0 HA HIS A 118 -7.132 7.770 -19.952 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -4.423 6.552 -19.295 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -5.388 6.173 -20.708 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -5.671 8.459 -22.551 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -2.180 10.359 -21.073 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -3.882 10.309 -22.960 1.00 0.00 H new ATOM 1877 N HIS A 119 -8.421 6.156 -18.485 1.00 0.00 N ATOM 1878 CA HIS A 119 -9.241 5.071 -17.936 1.00 0.00 C ATOM 1879 C HIS A 119 -9.478 4.024 -19.035 1.00 0.00 C ATOM 1880 O HIS A 119 -10.552 3.943 -19.633 1.00 0.00 O ATOM 1881 CB HIS A 119 -10.560 5.654 -17.339 1.00 0.00 C ATOM 1882 CG HIS A 119 -11.568 4.641 -16.831 1.00 0.00 C ATOM 1883 ND1 HIS A 119 -11.447 3.983 -15.626 1.00 0.00 N ATOM 1884 CD2 HIS A 119 -12.743 4.217 -17.359 1.00 0.00 C ATOM 1885 CE1 HIS A 119 -12.493 3.192 -15.445 1.00 0.00 C ATOM 1886 NE2 HIS A 119 -13.291 3.320 -16.485 1.00 0.00 N ATOM 0 H HIS A 119 -8.970 6.955 -18.802 1.00 0.00 H new ATOM 0 HA HIS A 119 -8.730 4.569 -17.114 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -10.299 6.320 -16.517 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -11.042 6.264 -18.103 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -10.670 4.089 -14.973 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -13.169 4.531 -18.300 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -12.663 2.552 -14.592 1.00 0.00 H new ATOM 1895 N HIS A 120 -8.396 3.313 -19.364 1.00 0.00 N ATOM 1896 CA HIS A 120 -8.431 2.165 -20.280 1.00 0.00 C ATOM 1897 C HIS A 120 -9.139 0.989 -19.592 1.00 0.00 C ATOM 1898 O HIS A 120 -10.058 0.384 -20.142 1.00 0.00 O ATOM 1899 CB HIS A 120 -6.986 1.792 -20.744 1.00 0.00 C ATOM 1900 CG HIS A 120 -5.918 1.828 -19.662 1.00 0.00 C ATOM 1901 ND1 HIS A 120 -5.058 2.896 -19.502 1.00 0.00 N ATOM 1902 CD2 HIS A 120 -5.577 0.937 -18.694 1.00 0.00 C ATOM 1903 CE1 HIS A 120 -4.238 2.659 -18.496 1.00 0.00 C ATOM 1904 NE2 HIS A 120 -4.533 1.484 -17.991 1.00 0.00 N ATOM 0 H HIS A 120 -7.465 3.517 -19.001 1.00 0.00 H new ATOM 0 HA HIS A 120 -8.995 2.423 -21.176 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -7.009 0.790 -21.173 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -6.693 2.474 -21.542 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -6.041 -0.021 -18.512 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -3.457 3.319 -18.148 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -4.060 1.046 -17.200 1.00 0.00 H new ATOM 1913 N HIS A 121 -8.713 0.743 -18.360 1.00 0.00 N ATOM 1914 CA HIS A 121 -9.218 -0.291 -17.457 1.00 0.00 C ATOM 1915 C HIS A 121 -8.825 0.172 -16.055 1.00 0.00 C ATOM 1916 O HIS A 121 -7.648 0.104 -15.709 1.00 0.00 O ATOM 1917 CB HIS A 121 -8.628 -1.701 -17.767 1.00 0.00 C ATOM 1918 CG HIS A 121 -9.274 -2.415 -18.931 1.00 0.00 C ATOM 1919 ND1 HIS A 121 -10.466 -3.095 -18.820 1.00 0.00 N ATOM 1920 CD2 HIS A 121 -8.889 -2.556 -20.223 1.00 0.00 C ATOM 1921 CE1 HIS A 121 -10.784 -3.622 -19.983 1.00 0.00 C ATOM 1922 NE2 HIS A 121 -9.844 -3.311 -20.853 1.00 0.00 N ATOM 0 H HIS A 121 -7.963 1.289 -17.937 1.00 0.00 H new ATOM 0 HA HIS A 121 -10.296 -0.407 -17.569 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -7.562 -1.597 -17.969 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -8.725 -2.324 -16.878 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -7.995 -2.149 -20.673 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -11.666 -4.210 -20.190 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -9.830 -3.587 -21.835 1.00 0.00 H new ATOM 1931 N HIS A 122 -9.818 0.678 -15.283 1.00 0.00 N ATOM 1932 CA HIS A 122 -9.609 1.451 -14.026 1.00 0.00 C ATOM 1933 C HIS A 122 -8.474 2.508 -14.176 1.00 0.00 C ATOM 1934 O HIS A 122 -7.439 2.421 -13.500 1.00 0.00 O ATOM 1935 CB HIS A 122 -9.476 0.531 -12.758 1.00 0.00 C ATOM 1936 CG HIS A 122 -8.486 -0.593 -12.854 1.00 0.00 C ATOM 1937 ND1 HIS A 122 -8.829 -1.844 -13.316 1.00 0.00 N ATOM 1938 CD2 HIS A 122 -7.167 -0.662 -12.543 1.00 0.00 C ATOM 1939 CE1 HIS A 122 -7.777 -2.624 -13.301 1.00 0.00 C ATOM 1940 NE2 HIS A 122 -6.754 -1.938 -12.836 1.00 0.00 N ATOM 1941 OXT HIS A 122 -8.612 3.394 -15.049 1.00 0.00 O ATOM 0 H HIS A 122 -10.804 0.560 -15.517 1.00 0.00 H new ATOM 0 HA HIS A 122 -10.518 2.026 -13.846 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -9.202 1.157 -11.908 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -10.456 0.106 -12.539 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -6.558 0.135 -12.142 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -7.753 -3.656 -13.617 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -5.807 -2.297 -12.713 1.00 0.00 H new TER 1950 HIS A 122