USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 863 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 60 ASN : amide:sc= 0.126 X(o=0.068,f=0.082) USER MOD Set 1.2: A 103 HIS : +bothHN:sc= -0.0581 K(o=0.068,f=-8.9!) USER MOD Set 2.1: A 18 THR OG1 : rot 26:sc= 0.983 USER MOD Set 2.2: A 38 HIS : no HE2:sc= 0.529 K(o=1.5,f=-3.6!) USER MOD Single : A 1 MET CE :methyl 146:sc= -0.145 (180deg=-1.15) USER MOD Single : A 1 MET N :NH3+ -178:sc= 1.12 (180deg=1.1) USER MOD Single : A 5 SER OG : rot 180:sc= -0.013 USER MOD Single : A 6 ASN : amide:sc= -0.0402 K(o=-0.04,f=-3!) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 HIS :FLIP no HD1:sc= -0.0633 F(o=-0.59,f=-0.063) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= 0.226 K(o=0.23,f=-5.1!) USER MOD Single : A 29 ASN :FLIP amide:sc=-0.00421 F(o=-0.93,f=-0.0042) USER MOD Single : A 31 ASN : amide:sc= -0.0257 X(o=-0.026,f=-0.2) USER MOD Single : A 32 LYS NZ :NH3+ 159:sc= -0.0712 (180deg=-0.507) USER MOD Single : A 34 SER OG : rot -160:sc= 1.21 USER MOD Single : A 35 SER OG : rot -131:sc= 1.29 USER MOD Single : A 37 MET CE :methyl -162:sc= -0.127 (180deg=-0.575) USER MOD Single : A 44 ASN : amide:sc= 0.395 K(o=0.4,f=-0.71) USER MOD Single : A 46 SER OG : rot -84:sc= 0.533 USER MOD Single : A 47 SER OG : rot 180:sc= 0.0378 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -168:sc= 1.54 (180deg=1.3) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0195 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN :FLIP amide:sc= -0.224 F(o=-3.7!,f=-0.22) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot -170:sc= -0.165 USER MOD Single : A 80 GLN : amide:sc= 0.131 K(o=0.13,f=-0.64) USER MOD Single : A 82 GLN : amide:sc= -0.258 K(o=-0.26,f=-0.84) USER MOD Single : A 83 ASN : amide:sc= 3.51 K(o=3.5,f=-9.9!) USER MOD Single : A 92 SER OG : rot 180:sc= -0.0535 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 100 LYS NZ :NH3+ 167:sc=-0.00766 (180deg=-0.12) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 105 HIS : no HD1:sc= -0.667 K(o=-0.67,f=-6.1!) USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 HIS : no HD1:sc=-0.00217 X(o=-0.0022,f=-0.0022) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.575 -2.818 -1.954 1.00 0.00 N ATOM 2 CA MET A 1 -13.590 -3.919 -1.840 1.00 0.00 C ATOM 3 C MET A 1 -12.717 -3.983 -3.085 1.00 0.00 C ATOM 4 O MET A 1 -13.216 -4.022 -4.210 1.00 0.00 O ATOM 5 CB MET A 1 -14.317 -5.251 -1.640 1.00 0.00 C ATOM 6 CG MET A 1 -13.389 -6.454 -1.580 1.00 0.00 C ATOM 7 SD MET A 1 -14.271 -8.010 -1.346 1.00 0.00 S ATOM 8 CE MET A 1 -15.305 -8.047 -2.809 1.00 0.00 C ATOM 0 H1 MET A 1 -15.140 -2.766 -1.083 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.074 -1.918 -2.096 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.203 -2.996 -2.764 1.00 0.00 H new ATOM 0 HA MET A 1 -12.951 -3.728 -0.978 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.895 -5.204 -0.717 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.027 -5.392 -2.454 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.809 -6.506 -2.502 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.679 -6.318 -0.764 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.428 -9.078 -3.141 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.281 -7.622 -2.575 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.835 -7.464 -3.601 1.00 0.00 H new ATOM 20 N LEU A 2 -11.412 -4.003 -2.868 1.00 0.00 N ATOM 21 CA LEU A 2 -10.452 -4.031 -3.952 1.00 0.00 C ATOM 22 C LEU A 2 -10.173 -5.469 -4.349 1.00 0.00 C ATOM 23 O LEU A 2 -9.436 -6.185 -3.670 1.00 0.00 O ATOM 24 CB LEU A 2 -9.154 -3.328 -3.544 1.00 0.00 C ATOM 25 CG LEU A 2 -8.080 -3.251 -4.634 1.00 0.00 C ATOM 26 CD1 LEU A 2 -8.581 -2.455 -5.828 1.00 0.00 C ATOM 27 CD2 LEU A 2 -6.803 -2.637 -4.084 1.00 0.00 C ATOM 0 H LEU A 2 -10.993 -4.000 -1.938 1.00 0.00 H new ATOM 0 HA LEU A 2 -10.870 -3.499 -4.806 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -9.395 -2.315 -3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -8.736 -3.846 -2.681 1.00 0.00 H new ATOM 0 HG LEU A 2 -7.860 -4.265 -4.967 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -7.803 -2.413 -6.590 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -9.467 -2.937 -6.241 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.833 -1.443 -5.511 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -6.052 -2.591 -4.873 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -7.010 -1.630 -3.721 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.429 -3.249 -3.263 1.00 0.00 H new ATOM 39 N VAL A 3 -10.808 -5.899 -5.413 1.00 0.00 N ATOM 40 CA VAL A 3 -10.588 -7.233 -5.938 1.00 0.00 C ATOM 41 C VAL A 3 -9.367 -7.239 -6.849 1.00 0.00 C ATOM 42 O VAL A 3 -9.388 -6.662 -7.936 1.00 0.00 O ATOM 43 CB VAL A 3 -11.823 -7.745 -6.713 1.00 0.00 C ATOM 44 CG1 VAL A 3 -11.595 -9.157 -7.235 1.00 0.00 C ATOM 45 CG2 VAL A 3 -13.064 -7.695 -5.835 1.00 0.00 C ATOM 0 H VAL A 3 -11.485 -5.345 -5.937 1.00 0.00 H new ATOM 0 HA VAL A 3 -10.417 -7.902 -5.094 1.00 0.00 H new ATOM 0 HB VAL A 3 -11.978 -7.089 -7.570 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -12.480 -9.492 -7.776 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -10.736 -9.163 -7.906 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -11.406 -9.828 -6.397 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -13.923 -8.059 -6.398 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -12.914 -8.322 -4.956 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -13.246 -6.667 -5.520 1.00 0.00 H new ATOM 55 N ILE A 4 -8.302 -7.874 -6.387 1.00 0.00 N ATOM 56 CA ILE A 4 -7.061 -7.937 -7.146 1.00 0.00 C ATOM 57 C ILE A 4 -7.163 -9.011 -8.219 1.00 0.00 C ATOM 58 O ILE A 4 -6.752 -8.821 -9.364 1.00 0.00 O ATOM 59 CB ILE A 4 -5.865 -8.247 -6.220 1.00 0.00 C ATOM 60 CG1 ILE A 4 -5.793 -7.226 -5.083 1.00 0.00 C ATOM 61 CG2 ILE A 4 -4.567 -8.258 -7.013 1.00 0.00 C ATOM 62 CD1 ILE A 4 -4.676 -7.488 -4.094 1.00 0.00 C ATOM 0 H ILE A 4 -8.271 -8.355 -5.488 1.00 0.00 H new ATOM 0 HA ILE A 4 -6.898 -6.966 -7.614 1.00 0.00 H new ATOM 0 HB ILE A 4 -6.010 -9.236 -5.786 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -5.662 -6.231 -5.509 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -6.744 -7.222 -4.550 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -3.734 -8.478 -6.345 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -4.621 -9.022 -7.789 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -4.414 -7.282 -7.474 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.690 -6.722 -3.318 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.816 -8.469 -3.639 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.717 -7.462 -4.612 1.00 0.00 H new ATOM 74 N SER A 5 -7.720 -10.142 -7.829 1.00 0.00 N ATOM 75 CA SER A 5 -7.940 -11.254 -8.732 1.00 0.00 C ATOM 76 C SER A 5 -9.145 -12.045 -8.248 1.00 0.00 C ATOM 77 O SER A 5 -9.651 -11.779 -7.157 1.00 0.00 O ATOM 78 CB SER A 5 -6.696 -12.147 -8.799 1.00 0.00 C ATOM 79 OG SER A 5 -5.566 -11.416 -9.250 1.00 0.00 O ATOM 0 H SER A 5 -8.033 -10.315 -6.874 1.00 0.00 H new ATOM 0 HA SER A 5 -8.131 -10.878 -9.737 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.492 -12.566 -7.814 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.882 -12.985 -9.470 1.00 0.00 H new ATOM 0 HG SER A 5 -4.785 -12.008 -9.282 1.00 0.00 H new ATOM 85 N ASN A 6 -9.588 -13.014 -9.043 1.00 0.00 N ATOM 86 CA ASN A 6 -10.791 -13.797 -8.738 1.00 0.00 C ATOM 87 C ASN A 6 -10.833 -14.263 -7.283 1.00 0.00 C ATOM 88 O ASN A 6 -11.853 -14.117 -6.607 1.00 0.00 O ATOM 89 CB ASN A 6 -10.882 -15.019 -9.656 1.00 0.00 C ATOM 90 CG ASN A 6 -11.098 -14.662 -11.116 1.00 0.00 C ATOM 91 OD1 ASN A 6 -10.639 -13.626 -11.597 1.00 0.00 O ATOM 92 ND2 ASN A 6 -11.793 -15.528 -11.834 1.00 0.00 N ATOM 0 H ASN A 6 -9.129 -13.281 -9.914 1.00 0.00 H new ATOM 0 HA ASN A 6 -11.641 -13.136 -8.906 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -9.966 -15.602 -9.564 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -11.700 -15.656 -9.321 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -11.965 -15.348 -12.823 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -12.157 -16.376 -11.399 1.00 0.00 H new ATOM 99 N ASN A 7 -9.724 -14.802 -6.793 1.00 0.00 N ATOM 100 CA ASN A 7 -9.694 -15.372 -5.451 1.00 0.00 C ATOM 101 C ASN A 7 -8.939 -14.485 -4.471 1.00 0.00 C ATOM 102 O ASN A 7 -8.613 -14.907 -3.362 1.00 0.00 O ATOM 103 CB ASN A 7 -9.068 -16.762 -5.476 1.00 0.00 C ATOM 104 CG ASN A 7 -9.820 -17.708 -6.390 1.00 0.00 C ATOM 105 OD1 ASN A 7 -9.452 -17.887 -7.552 1.00 0.00 O ATOM 106 ND2 ASN A 7 -10.891 -18.295 -5.882 1.00 0.00 N ATOM 0 H ASN A 7 -8.840 -14.857 -7.299 1.00 0.00 H new ATOM 0 HA ASN A 7 -10.727 -15.444 -5.110 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -8.032 -16.687 -5.806 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -9.052 -17.170 -4.466 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -11.449 -18.925 -6.458 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -11.159 -18.118 -4.914 1.00 0.00 H new ATOM 113 N VAL A 8 -8.680 -13.252 -4.867 1.00 0.00 N ATOM 114 CA VAL A 8 -7.969 -12.318 -4.010 1.00 0.00 C ATOM 115 C VAL A 8 -8.803 -11.057 -3.832 1.00 0.00 C ATOM 116 O VAL A 8 -9.078 -10.335 -4.790 1.00 0.00 O ATOM 117 CB VAL A 8 -6.587 -11.943 -4.593 1.00 0.00 C ATOM 118 CG1 VAL A 8 -5.831 -11.031 -3.637 1.00 0.00 C ATOM 119 CG2 VAL A 8 -5.766 -13.193 -4.896 1.00 0.00 C ATOM 0 H VAL A 8 -8.950 -12.874 -5.775 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.807 -12.803 -3.047 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.750 -11.407 -5.528 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.861 -10.779 -4.065 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.405 -10.118 -3.475 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.685 -11.542 -2.685 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.798 -12.902 -5.305 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.616 -13.761 -3.978 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.296 -13.810 -5.622 1.00 0.00 H new ATOM 129 N HIS A 9 -9.187 -10.795 -2.600 1.00 0.00 N ATOM 130 CA HIS A 9 -10.053 -9.665 -2.292 1.00 0.00 C ATOM 131 C HIS A 9 -9.477 -8.874 -1.133 1.00 0.00 C ATOM 132 O HIS A 9 -9.025 -9.457 -0.150 1.00 0.00 O ATOM 133 CB HIS A 9 -11.460 -10.143 -1.905 1.00 0.00 C ATOM 134 CG HIS A 9 -12.045 -11.175 -2.818 1.00 0.00 C ATOM 135 ND1 HIS A 9 -12.560 -11.073 -4.064 1.00 0.00 N flip ATOM 136 CD2 HIS A 9 -12.163 -12.504 -2.468 1.00 0.00 C flip ATOM 137 CE1 HIS A 9 -12.975 -12.326 -4.442 1.00 0.00 C flip ATOM 138 NE2 HIS A 9 -12.721 -13.172 -3.459 1.00 0.00 N flip ATOM 0 H HIS A 9 -8.914 -11.350 -1.789 1.00 0.00 H new ATOM 0 HA HIS A 9 -10.117 -9.039 -3.182 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -11.425 -10.550 -0.894 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -12.127 -9.281 -1.879 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -11.847 -12.932 -1.528 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -13.433 -12.579 -5.387 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -12.922 -14.172 -3.466 1.00 0.00 H new ATOM 147 N LEU A 10 -9.479 -7.558 -1.250 1.00 0.00 N ATOM 148 CA LEU A 10 -9.092 -6.703 -0.145 1.00 0.00 C ATOM 149 C LEU A 10 -10.292 -5.913 0.341 1.00 0.00 C ATOM 150 O LEU A 10 -10.744 -4.976 -0.327 1.00 0.00 O ATOM 151 CB LEU A 10 -7.958 -5.757 -0.540 1.00 0.00 C ATOM 152 CG LEU A 10 -6.594 -6.422 -0.724 1.00 0.00 C ATOM 153 CD1 LEU A 10 -5.517 -5.373 -0.937 1.00 0.00 C ATOM 154 CD2 LEU A 10 -6.257 -7.292 0.479 1.00 0.00 C ATOM 0 H LEU A 10 -9.744 -7.059 -2.099 1.00 0.00 H new ATOM 0 HA LEU A 10 -8.727 -7.337 0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.230 -5.257 -1.470 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.868 -4.984 0.223 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.638 -7.058 -1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.552 -5.863 -1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.749 -4.789 -1.827 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.475 -4.713 -0.070 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.283 -7.757 0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.231 -6.676 1.378 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.015 -8.067 0.592 1.00 0.00 H new ATOM 166 N PRO A 11 -10.850 -6.316 1.486 1.00 0.00 N ATOM 167 CA PRO A 11 -11.989 -5.632 2.098 1.00 0.00 C ATOM 168 C PRO A 11 -11.692 -4.167 2.385 1.00 0.00 C ATOM 169 O PRO A 11 -10.564 -3.804 2.722 1.00 0.00 O ATOM 170 CB PRO A 11 -12.214 -6.402 3.402 1.00 0.00 C ATOM 171 CG PRO A 11 -11.596 -7.734 3.161 1.00 0.00 C ATOM 172 CD PRO A 11 -10.414 -7.474 2.281 1.00 0.00 C ATOM 0 HA PRO A 11 -12.860 -5.624 1.443 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.748 -5.896 4.247 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -13.276 -6.493 3.631 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.292 -8.201 4.098 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.301 -8.412 2.681 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.518 -7.252 2.861 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.181 -8.333 1.651 1.00 0.00 H new ATOM 180 N ASP A 12 -12.715 -3.335 2.249 1.00 0.00 N ATOM 181 CA ASP A 12 -12.596 -1.905 2.468 1.00 0.00 C ATOM 182 C ASP A 12 -12.053 -1.628 3.860 1.00 0.00 C ATOM 183 O ASP A 12 -11.202 -0.758 4.056 1.00 0.00 O ATOM 184 CB ASP A 12 -13.969 -1.255 2.312 1.00 0.00 C ATOM 185 CG ASP A 12 -14.561 -1.467 0.933 1.00 0.00 C ATOM 186 OD1 ASP A 12 -15.139 -2.552 0.687 1.00 0.00 O ATOM 187 OD2 ASP A 12 -14.441 -0.568 0.079 1.00 0.00 O ATOM 0 H ASP A 12 -13.652 -3.636 1.983 1.00 0.00 H new ATOM 0 HA ASP A 12 -11.906 -1.488 1.735 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -14.647 -1.663 3.061 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -13.885 -0.186 2.507 1.00 0.00 H new ATOM 192 N ALA A 13 -12.547 -2.403 4.811 1.00 0.00 N ATOM 193 CA ALA A 13 -12.166 -2.277 6.213 1.00 0.00 C ATOM 194 C ALA A 13 -10.694 -2.589 6.456 1.00 0.00 C ATOM 195 O ALA A 13 -10.082 -2.038 7.372 1.00 0.00 O ATOM 196 CB ALA A 13 -13.029 -3.196 7.059 1.00 0.00 C ATOM 0 H ALA A 13 -13.227 -3.142 4.634 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.324 -1.237 6.497 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.743 -3.101 8.107 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.077 -2.920 6.942 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.887 -4.227 6.736 1.00 0.00 H new ATOM 202 N GLU A 14 -10.123 -3.464 5.636 1.00 0.00 N ATOM 203 CA GLU A 14 -8.758 -3.936 5.853 1.00 0.00 C ATOM 204 C GLU A 14 -7.740 -3.045 5.156 1.00 0.00 C ATOM 205 O GLU A 14 -6.537 -3.303 5.199 1.00 0.00 O ATOM 206 CB GLU A 14 -8.609 -5.379 5.378 1.00 0.00 C ATOM 207 CG GLU A 14 -9.331 -6.384 6.261 1.00 0.00 C ATOM 208 CD GLU A 14 -9.263 -7.800 5.722 1.00 0.00 C ATOM 209 OE1 GLU A 14 -8.301 -8.123 4.995 1.00 0.00 O ATOM 210 OE2 GLU A 14 -10.184 -8.590 6.006 1.00 0.00 O ATOM 0 H GLU A 14 -10.582 -3.861 4.816 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.562 -3.893 6.924 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.992 -5.460 4.361 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.550 -5.634 5.341 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.896 -6.360 7.260 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.375 -6.088 6.360 1.00 0.00 H new ATOM 217 N ILE A 15 -8.229 -1.996 4.527 1.00 0.00 N ATOM 218 CA ILE A 15 -7.355 -1.028 3.887 1.00 0.00 C ATOM 219 C ILE A 15 -7.198 0.189 4.789 1.00 0.00 C ATOM 220 O ILE A 15 -8.101 1.028 4.885 1.00 0.00 O ATOM 221 CB ILE A 15 -7.890 -0.593 2.503 1.00 0.00 C ATOM 222 CG1 ILE A 15 -8.118 -1.820 1.614 1.00 0.00 C ATOM 223 CG2 ILE A 15 -6.912 0.369 1.840 1.00 0.00 C ATOM 224 CD1 ILE A 15 -8.694 -1.490 0.252 1.00 0.00 C ATOM 0 H ILE A 15 -9.225 -1.790 4.444 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.387 -1.503 3.729 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.843 -0.081 2.640 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -7.170 -2.342 1.481 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.791 -2.508 2.126 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.300 0.668 0.866 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.788 1.251 2.468 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.948 -0.123 1.711 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.827 -2.409 -0.319 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -9.658 -0.996 0.375 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -8.012 -0.827 -0.281 1.00 0.00 H new ATOM 236 N GLU A 16 -6.065 0.272 5.469 1.00 0.00 N ATOM 237 CA GLU A 16 -5.833 1.347 6.414 1.00 0.00 C ATOM 238 C GLU A 16 -5.367 2.598 5.686 1.00 0.00 C ATOM 239 O GLU A 16 -4.221 2.689 5.241 1.00 0.00 O ATOM 240 CB GLU A 16 -4.808 0.928 7.469 1.00 0.00 C ATOM 241 CG GLU A 16 -4.692 1.914 8.617 1.00 0.00 C ATOM 242 CD GLU A 16 -6.002 2.080 9.352 1.00 0.00 C ATOM 243 OE1 GLU A 16 -6.843 2.887 8.903 1.00 0.00 O ATOM 244 OE2 GLU A 16 -6.201 1.396 10.373 1.00 0.00 O ATOM 0 H GLU A 16 -5.295 -0.392 5.383 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.772 1.569 6.921 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.083 -0.050 7.865 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.833 0.817 6.995 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.926 1.572 9.313 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.366 2.881 8.234 1.00 0.00 H new ATOM 251 N LEU A 17 -6.270 3.554 5.548 1.00 0.00 N ATOM 252 CA LEU A 17 -5.972 4.787 4.854 1.00 0.00 C ATOM 253 C LEU A 17 -5.918 5.949 5.828 1.00 0.00 C ATOM 254 O LEU A 17 -6.777 6.083 6.699 1.00 0.00 O ATOM 255 CB LEU A 17 -7.022 5.047 3.777 1.00 0.00 C ATOM 256 CG LEU A 17 -7.024 4.040 2.623 1.00 0.00 C ATOM 257 CD1 LEU A 17 -8.130 4.355 1.635 1.00 0.00 C ATOM 258 CD2 LEU A 17 -5.675 4.032 1.918 1.00 0.00 C ATOM 0 H LEU A 17 -7.221 3.495 5.912 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.995 4.692 4.380 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.007 5.046 4.243 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.864 6.045 3.369 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.206 3.049 3.039 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.112 3.627 0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.094 4.310 2.142 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.980 5.355 1.228 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.696 3.311 1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.467 5.025 1.520 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.895 3.755 2.627 1.00 0.00 H new ATOM 270 N THR A 18 -4.897 6.774 5.682 1.00 0.00 N ATOM 271 CA THR A 18 -4.718 7.933 6.536 1.00 0.00 C ATOM 272 C THR A 18 -4.259 9.131 5.714 1.00 0.00 C ATOM 273 O THR A 18 -3.691 8.965 4.636 1.00 0.00 O ATOM 274 CB THR A 18 -3.691 7.646 7.652 1.00 0.00 C ATOM 275 OG1 THR A 18 -2.752 6.650 7.219 1.00 0.00 O ATOM 276 CG2 THR A 18 -4.375 7.184 8.926 1.00 0.00 C ATOM 0 H THR A 18 -4.173 6.660 4.973 1.00 0.00 H new ATOM 0 HA THR A 18 -5.679 8.159 6.998 1.00 0.00 H new ATOM 0 HB THR A 18 -3.162 8.575 7.864 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.689 6.663 6.241 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.624 6.990 9.692 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.057 7.959 9.274 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.935 6.270 8.727 1.00 0.00 H new ATOM 284 N ALA A 19 -4.514 10.330 6.216 1.00 0.00 N ATOM 285 CA ALA A 19 -4.098 11.545 5.537 1.00 0.00 C ATOM 286 C ALA A 19 -3.190 12.365 6.443 1.00 0.00 C ATOM 287 O ALA A 19 -3.539 12.645 7.593 1.00 0.00 O ATOM 288 CB ALA A 19 -5.317 12.363 5.126 1.00 0.00 C ATOM 0 H ALA A 19 -5.009 10.486 7.094 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.543 11.274 4.639 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.992 13.271 4.618 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.940 11.774 4.453 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.892 12.630 6.013 1.00 0.00 H new ATOM 294 N ILE A 20 -2.030 12.735 5.927 1.00 0.00 N ATOM 295 CA ILE A 20 -1.071 13.518 6.688 1.00 0.00 C ATOM 296 C ILE A 20 -1.346 15.002 6.490 1.00 0.00 C ATOM 297 O ILE A 20 -1.177 15.536 5.391 1.00 0.00 O ATOM 298 CB ILE A 20 0.378 13.196 6.270 1.00 0.00 C ATOM 299 CG1 ILE A 20 0.647 11.693 6.405 1.00 0.00 C ATOM 300 CG2 ILE A 20 1.366 13.999 7.111 1.00 0.00 C ATOM 301 CD1 ILE A 20 2.005 11.271 5.884 1.00 0.00 C ATOM 0 H ILE A 20 -1.729 12.505 4.980 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.184 13.259 7.741 1.00 0.00 H new ATOM 0 HB ILE A 20 0.512 13.478 5.226 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.566 11.411 7.455 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.126 11.144 5.867 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.384 13.760 6.803 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.184 15.064 6.968 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.237 13.747 8.164 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.126 10.195 6.012 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.083 11.522 4.826 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.785 11.792 6.439 1.00 0.00 H new ATOM 313 N ARG A 21 -1.782 15.659 7.555 1.00 0.00 N ATOM 314 CA ARG A 21 -2.186 17.057 7.478 1.00 0.00 C ATOM 315 C ARG A 21 -0.972 17.972 7.409 1.00 0.00 C ATOM 316 O ARG A 21 0.117 17.619 7.867 1.00 0.00 O ATOM 317 CB ARG A 21 -3.051 17.433 8.682 1.00 0.00 C ATOM 318 CG ARG A 21 -4.314 16.599 8.803 1.00 0.00 C ATOM 319 CD ARG A 21 -5.163 17.046 9.981 1.00 0.00 C ATOM 320 NE ARG A 21 -6.328 16.183 10.165 1.00 0.00 N ATOM 321 CZ ARG A 21 -7.524 16.617 10.570 1.00 0.00 C ATOM 322 NH1 ARG A 21 -7.704 17.898 10.878 1.00 0.00 N ATOM 323 NH2 ARG A 21 -8.536 15.764 10.676 1.00 0.00 N ATOM 0 H ARG A 21 -1.865 15.247 8.484 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.770 17.186 6.567 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.462 17.320 9.592 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.325 18.485 8.608 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.894 16.679 7.884 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.048 15.549 8.922 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.559 17.040 10.888 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.492 18.073 9.824 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.221 15.187 9.972 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.926 18.554 10.805 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.620 18.224 11.187 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.399 14.779 10.448 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -9.450 16.093 10.985 1.00 0.00 H new ATOM 337 N ALA A 22 -1.170 19.149 6.841 1.00 0.00 N ATOM 338 CA ALA A 22 -0.102 20.124 6.709 1.00 0.00 C ATOM 339 C ALA A 22 -0.440 21.386 7.486 1.00 0.00 C ATOM 340 O ALA A 22 -1.348 22.131 7.118 1.00 0.00 O ATOM 341 CB ALA A 22 0.151 20.446 5.242 1.00 0.00 C ATOM 0 H ALA A 22 -2.067 19.454 6.462 1.00 0.00 H new ATOM 0 HA ALA A 22 0.811 19.697 7.125 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.955 21.178 5.164 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.436 19.536 4.714 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.757 20.854 4.797 1.00 0.00 H new ATOM 347 N GLN A 23 0.269 21.606 8.576 1.00 0.00 N ATOM 348 CA GLN A 23 0.037 22.764 9.410 1.00 0.00 C ATOM 349 C GLN A 23 1.024 23.867 9.066 1.00 0.00 C ATOM 350 O GLN A 23 2.197 23.595 8.793 1.00 0.00 O ATOM 351 CB GLN A 23 0.172 22.371 10.874 1.00 0.00 C ATOM 352 CG GLN A 23 -0.795 21.275 11.303 1.00 0.00 C ATOM 353 CD GLN A 23 -0.612 20.875 12.752 1.00 0.00 C ATOM 354 OE1 GLN A 23 0.172 19.983 13.067 1.00 0.00 O ATOM 355 NE2 GLN A 23 -1.340 21.530 13.640 1.00 0.00 N ATOM 0 H GLN A 23 1.015 20.992 8.904 1.00 0.00 H new ATOM 0 HA GLN A 23 -0.971 23.138 9.232 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.193 22.036 11.059 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.008 23.252 11.495 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.818 21.618 11.151 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.654 20.401 10.667 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -1.979 22.264 13.334 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -1.263 21.301 14.631 1.00 0.00 H new ATOM 364 N GLY A 24 0.552 25.100 9.074 1.00 0.00 N ATOM 365 CA GLY A 24 1.395 26.220 8.733 1.00 0.00 C ATOM 366 C GLY A 24 1.304 27.323 9.759 1.00 0.00 C ATOM 367 O GLY A 24 0.215 27.804 10.073 1.00 0.00 O ATOM 0 H GLY A 24 -0.409 25.346 9.313 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.429 25.885 8.650 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.107 26.608 7.756 1.00 0.00 H new ATOM 371 N ALA A 25 2.449 27.708 10.288 1.00 0.00 N ATOM 372 CA ALA A 25 2.520 28.766 11.286 1.00 0.00 C ATOM 373 C ALA A 25 3.341 29.940 10.765 1.00 0.00 C ATOM 374 O ALA A 25 4.180 29.774 9.877 1.00 0.00 O ATOM 375 CB ALA A 25 3.116 28.233 12.579 1.00 0.00 C ATOM 0 H ALA A 25 3.352 27.302 10.043 1.00 0.00 H new ATOM 0 HA ALA A 25 1.509 29.118 11.489 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.163 29.035 13.316 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.492 27.425 12.961 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.121 27.856 12.388 1.00 0.00 H new ATOM 381 N GLY A 26 3.097 31.118 11.319 1.00 0.00 N ATOM 382 CA GLY A 26 3.794 32.306 10.874 1.00 0.00 C ATOM 383 C GLY A 26 2.892 33.222 10.075 1.00 0.00 C ATOM 384 O GLY A 26 1.705 33.343 10.378 1.00 0.00 O ATOM 0 H GLY A 26 2.426 31.272 12.072 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.184 32.844 11.738 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.651 32.018 10.265 1.00 0.00 H new ATOM 388 N GLY A 27 3.444 33.857 9.052 1.00 0.00 N ATOM 389 CA GLY A 27 2.664 34.751 8.224 1.00 0.00 C ATOM 390 C GLY A 27 2.848 34.457 6.754 1.00 0.00 C ATOM 391 O GLY A 27 3.109 35.359 5.958 1.00 0.00 O ATOM 0 H GLY A 27 4.423 33.768 8.780 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.609 34.660 8.484 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.955 35.782 8.428 1.00 0.00 H new ATOM 395 N GLN A 28 2.710 33.191 6.391 1.00 0.00 N ATOM 396 CA GLN A 28 2.894 32.764 5.027 1.00 0.00 C ATOM 397 C GLN A 28 1.638 32.042 4.565 1.00 0.00 C ATOM 398 O GLN A 28 0.864 31.546 5.386 1.00 0.00 O ATOM 399 CB GLN A 28 4.125 31.854 4.917 1.00 0.00 C ATOM 400 CG GLN A 28 4.527 31.529 3.487 1.00 0.00 C ATOM 401 CD GLN A 28 4.734 32.774 2.644 1.00 0.00 C ATOM 402 OE1 GLN A 28 3.802 33.264 2.008 1.00 0.00 O ATOM 403 NE2 GLN A 28 5.946 33.303 2.650 1.00 0.00 N ATOM 0 H GLN A 28 2.468 32.439 7.036 1.00 0.00 H new ATOM 0 HA GLN A 28 3.064 33.629 4.386 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.965 32.334 5.420 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.925 30.923 5.448 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.446 30.943 3.496 1.00 0.00 H new ATOM 0 HG3 GLN A 28 3.757 30.908 3.029 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.691 32.865 3.191 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.136 34.149 2.113 1.00 0.00 H new ATOM 412 N ASN A 29 1.432 32.010 3.266 1.00 0.00 N ATOM 413 CA ASN A 29 0.234 31.417 2.687 1.00 0.00 C ATOM 414 C ASN A 29 0.224 29.904 2.866 1.00 0.00 C ATOM 415 O ASN A 29 0.965 29.175 2.205 1.00 0.00 O ATOM 416 CB ASN A 29 0.110 31.763 1.204 1.00 0.00 C ATOM 417 CG ASN A 29 -1.185 31.251 0.591 1.00 0.00 C ATOM 418 OD1 ASN A 29 -2.257 31.241 1.374 1.00 0.00 O flip ATOM 419 ND2 ASN A 29 -1.231 30.878 -0.582 1.00 0.00 N flip ATOM 0 H ASN A 29 2.084 32.391 2.580 1.00 0.00 H new ATOM 0 HA ASN A 29 -0.621 31.836 3.217 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.163 32.845 1.081 1.00 0.00 H new ATOM 0 HB3 ASN A 29 0.956 31.339 0.664 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.389 30.898 -1.157 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.111 30.549 -0.978 1.00 0.00 H new ATOM 426 N VAL A 30 -0.608 29.451 3.787 1.00 0.00 N ATOM 427 CA VAL A 30 -0.807 28.030 4.030 1.00 0.00 C ATOM 428 C VAL A 30 -2.302 27.719 4.077 1.00 0.00 C ATOM 429 O VAL A 30 -2.942 27.798 5.126 1.00 0.00 O ATOM 430 CB VAL A 30 -0.114 27.558 5.337 1.00 0.00 C ATOM 431 CG1 VAL A 30 1.388 27.431 5.131 1.00 0.00 C ATOM 432 CG2 VAL A 30 -0.404 28.513 6.489 1.00 0.00 C ATOM 0 H VAL A 30 -1.166 30.057 4.389 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.346 27.483 3.207 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.519 26.579 5.593 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.856 27.099 6.058 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.587 26.704 4.344 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.799 28.399 4.843 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.094 28.157 7.391 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.035 29.508 6.239 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.479 28.558 6.662 1.00 0.00 H new ATOM 442 N ASN A 31 -2.866 27.407 2.920 1.00 0.00 N ATOM 443 CA ASN A 31 -4.307 27.226 2.806 1.00 0.00 C ATOM 444 C ASN A 31 -4.625 25.932 2.065 1.00 0.00 C ATOM 445 O ASN A 31 -5.739 25.722 1.587 1.00 0.00 O ATOM 446 CB ASN A 31 -4.919 28.432 2.080 1.00 0.00 C ATOM 447 CG ASN A 31 -6.411 28.591 2.328 1.00 0.00 C ATOM 448 OD1 ASN A 31 -7.245 28.110 1.558 1.00 0.00 O ATOM 449 ND2 ASN A 31 -6.754 29.282 3.404 1.00 0.00 N ATOM 0 H ASN A 31 -2.351 27.274 2.049 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.740 27.157 3.804 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -4.406 29.339 2.401 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.745 28.329 1.009 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -7.739 29.433 3.621 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.033 29.664 4.016 1.00 0.00 H new ATOM 456 N LYS A 32 -3.641 25.058 1.992 1.00 0.00 N ATOM 457 CA LYS A 32 -3.806 23.800 1.286 1.00 0.00 C ATOM 458 C LYS A 32 -3.932 22.655 2.281 1.00 0.00 C ATOM 459 O LYS A 32 -3.229 22.614 3.290 1.00 0.00 O ATOM 460 CB LYS A 32 -2.637 23.573 0.326 1.00 0.00 C ATOM 461 CG LYS A 32 -2.992 22.705 -0.869 1.00 0.00 C ATOM 462 CD LYS A 32 -1.911 22.748 -1.936 1.00 0.00 C ATOM 463 CE LYS A 32 -2.402 22.143 -3.244 1.00 0.00 C ATOM 464 NZ LYS A 32 -3.515 22.935 -3.842 1.00 0.00 N ATOM 0 H LYS A 32 -2.721 25.194 2.411 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.722 23.839 0.696 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.278 24.538 -0.031 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.815 23.108 0.871 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.138 21.676 -0.541 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.937 23.041 -1.295 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.603 23.780 -2.103 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -1.032 22.205 -1.589 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.575 22.089 -3.952 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.738 21.121 -3.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.584 22.725 -4.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.410 22.684 -3.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.329 23.950 -3.710 1.00 0.00 H new ATOM 478 N VAL A 33 -4.828 21.723 1.984 1.00 0.00 N ATOM 479 CA VAL A 33 -5.173 20.652 2.921 1.00 0.00 C ATOM 480 C VAL A 33 -4.252 19.438 2.746 1.00 0.00 C ATOM 481 O VAL A 33 -4.582 18.313 3.130 1.00 0.00 O ATOM 482 CB VAL A 33 -6.657 20.245 2.738 1.00 0.00 C ATOM 483 CG1 VAL A 33 -6.869 19.504 1.424 1.00 0.00 C ATOM 484 CG2 VAL A 33 -7.167 19.431 3.924 1.00 0.00 C ATOM 0 H VAL A 33 -5.333 21.684 1.099 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.032 21.027 3.935 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.244 21.163 2.698 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.920 19.232 1.325 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.581 20.148 0.593 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.258 18.601 1.413 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.211 19.164 3.760 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.572 18.524 4.025 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.083 20.024 4.835 1.00 0.00 H new ATOM 494 N SER A 34 -3.068 19.704 2.209 1.00 0.00 N ATOM 495 CA SER A 34 -2.059 18.682 1.954 1.00 0.00 C ATOM 496 C SER A 34 -2.533 17.659 0.919 1.00 0.00 C ATOM 497 O SER A 34 -3.710 17.608 0.552 1.00 0.00 O ATOM 498 CB SER A 34 -1.680 17.988 3.264 1.00 0.00 C ATOM 499 OG SER A 34 -0.732 16.948 3.070 1.00 0.00 O ATOM 0 H SER A 34 -2.778 20.643 1.936 1.00 0.00 H new ATOM 0 HA SER A 34 -1.179 19.174 1.540 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.272 18.724 3.957 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.577 17.577 3.727 1.00 0.00 H new ATOM 0 HG SER A 34 -0.759 16.334 3.834 1.00 0.00 H new ATOM 505 N SER A 35 -1.598 16.855 0.445 1.00 0.00 N ATOM 506 CA SER A 35 -1.887 15.810 -0.513 1.00 0.00 C ATOM 507 C SER A 35 -1.191 14.519 -0.097 1.00 0.00 C ATOM 508 O SER A 35 -1.201 13.531 -0.832 1.00 0.00 O ATOM 509 CB SER A 35 -1.420 16.238 -1.904 1.00 0.00 C ATOM 510 OG SER A 35 -2.036 17.457 -2.297 1.00 0.00 O ATOM 0 H SER A 35 -0.616 16.911 0.716 1.00 0.00 H new ATOM 0 HA SER A 35 -2.963 15.636 -0.541 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.337 16.357 -1.907 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.657 15.457 -2.627 1.00 0.00 H new ATOM 0 HG SER A 35 -2.397 17.364 -3.203 1.00 0.00 H new ATOM 516 N ALA A 36 -0.604 14.536 1.095 1.00 0.00 N ATOM 517 CA ALA A 36 0.161 13.401 1.586 1.00 0.00 C ATOM 518 C ALA A 36 -0.749 12.338 2.186 1.00 0.00 C ATOM 519 O ALA A 36 -1.246 12.483 3.304 1.00 0.00 O ATOM 520 CB ALA A 36 1.189 13.860 2.610 1.00 0.00 C ATOM 0 H ALA A 36 -0.645 15.326 1.738 1.00 0.00 H new ATOM 0 HA ALA A 36 0.682 12.955 0.739 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.754 13.000 2.969 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.870 14.574 2.147 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.680 14.335 3.449 1.00 0.00 H new ATOM 526 N MET A 37 -0.975 11.280 1.430 1.00 0.00 N ATOM 527 CA MET A 37 -1.783 10.171 1.901 1.00 0.00 C ATOM 528 C MET A 37 -0.887 9.080 2.448 1.00 0.00 C ATOM 529 O MET A 37 0.173 8.795 1.904 1.00 0.00 O ATOM 530 CB MET A 37 -2.649 9.612 0.776 1.00 0.00 C ATOM 531 CG MET A 37 -3.614 10.627 0.180 1.00 0.00 C ATOM 532 SD MET A 37 -4.822 11.237 1.375 1.00 0.00 S ATOM 533 CE MET A 37 -5.686 9.725 1.790 1.00 0.00 C ATOM 0 H MET A 37 -0.609 11.165 0.485 1.00 0.00 H new ATOM 0 HA MET A 37 -2.439 10.535 2.692 1.00 0.00 H new ATOM 0 HB2 MET A 37 -2.001 9.233 -0.014 1.00 0.00 H new ATOM 0 HB3 MET A 37 -3.218 8.763 1.156 1.00 0.00 H new ATOM 0 HG2 MET A 37 -3.047 11.469 -0.218 1.00 0.00 H new ATOM 0 HG3 MET A 37 -4.139 10.171 -0.659 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.642 9.968 2.254 1.00 0.00 H new ATOM 0 HE2 MET A 37 -5.859 9.144 0.884 1.00 0.00 H new ATOM 0 HE3 MET A 37 -5.084 9.141 2.486 1.00 0.00 H new ATOM 543 N HIS A 38 -1.323 8.467 3.517 1.00 0.00 N ATOM 544 CA HIS A 38 -0.541 7.446 4.185 1.00 0.00 C ATOM 545 C HIS A 38 -1.299 6.136 4.176 1.00 0.00 C ATOM 546 O HIS A 38 -2.460 6.074 4.579 1.00 0.00 O ATOM 547 CB HIS A 38 -0.232 7.887 5.615 1.00 0.00 C ATOM 548 CG HIS A 38 0.596 6.923 6.401 1.00 0.00 C ATOM 549 ND1 HIS A 38 0.068 6.079 7.350 1.00 0.00 N ATOM 550 CD2 HIS A 38 1.928 6.696 6.397 1.00 0.00 C ATOM 551 CE1 HIS A 38 1.041 5.376 7.899 1.00 0.00 C ATOM 552 NE2 HIS A 38 2.182 5.731 7.338 1.00 0.00 N ATOM 0 H HIS A 38 -2.226 8.656 3.952 1.00 0.00 H new ATOM 0 HA HIS A 38 0.402 7.302 3.657 1.00 0.00 H new ATOM 0 HB2 HIS A 38 0.285 8.846 5.581 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.172 8.051 6.141 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -0.920 6.008 7.592 1.00 0.00 H new ATOM 0 HD2 HIS A 38 2.658 7.184 5.769 1.00 0.00 H new ATOM 0 HE1 HIS A 38 0.923 4.635 8.676 1.00 0.00 H new ATOM 561 N LEU A 39 -0.647 5.100 3.699 1.00 0.00 N ATOM 562 CA LEU A 39 -1.276 3.802 3.581 1.00 0.00 C ATOM 563 C LEU A 39 -0.604 2.794 4.491 1.00 0.00 C ATOM 564 O LEU A 39 0.624 2.761 4.603 1.00 0.00 O ATOM 565 CB LEU A 39 -1.236 3.300 2.137 1.00 0.00 C ATOM 566 CG LEU A 39 -2.297 3.888 1.201 1.00 0.00 C ATOM 567 CD1 LEU A 39 -1.966 5.325 0.819 1.00 0.00 C ATOM 568 CD2 LEU A 39 -2.447 3.017 -0.036 1.00 0.00 C ATOM 0 H LEU A 39 0.323 5.130 3.385 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.317 3.913 3.883 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.251 3.518 1.723 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.346 2.216 2.145 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.248 3.904 1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.739 5.712 0.155 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.920 5.939 1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.002 5.354 0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.204 3.445 -0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.494 2.967 -0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.750 2.013 0.261 1.00 0.00 H new ATOM 580 N ARG A 40 -1.418 1.999 5.155 1.00 0.00 N ATOM 581 CA ARG A 40 -0.930 0.900 5.955 1.00 0.00 C ATOM 582 C ARG A 40 -1.626 -0.380 5.525 1.00 0.00 C ATOM 583 O ARG A 40 -2.854 -0.453 5.498 1.00 0.00 O ATOM 584 CB ARG A 40 -1.173 1.152 7.445 1.00 0.00 C ATOM 585 CG ARG A 40 -0.870 -0.062 8.305 1.00 0.00 C ATOM 586 CD ARG A 40 -1.143 0.191 9.772 1.00 0.00 C ATOM 587 NE ARG A 40 -1.010 -1.039 10.546 1.00 0.00 N ATOM 588 CZ ARG A 40 -0.446 -1.120 11.747 1.00 0.00 C ATOM 589 NH1 ARG A 40 -0.014 -0.026 12.366 1.00 0.00 N ATOM 590 NH2 ARG A 40 -0.331 -2.301 12.335 1.00 0.00 N ATOM 0 H ARG A 40 -2.433 2.098 5.154 1.00 0.00 H new ATOM 0 HA ARG A 40 0.145 0.807 5.801 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.554 1.987 7.773 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.212 1.447 7.594 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.473 -0.905 7.966 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.175 -0.345 8.176 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.449 0.941 10.151 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.148 0.596 9.895 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.376 -1.898 10.136 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.114 0.886 11.920 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.417 -0.098 13.287 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.674 -3.140 11.866 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.101 -2.372 13.256 1.00 0.00 H new ATOM 604 N PHE A 41 -0.847 -1.378 5.166 1.00 0.00 N ATOM 605 CA PHE A 41 -1.400 -2.657 4.777 1.00 0.00 C ATOM 606 C PHE A 41 -0.868 -3.752 5.684 1.00 0.00 C ATOM 607 O PHE A 41 0.267 -4.204 5.530 1.00 0.00 O ATOM 608 CB PHE A 41 -1.067 -2.966 3.316 1.00 0.00 C ATOM 609 CG PHE A 41 -1.698 -4.231 2.817 1.00 0.00 C ATOM 610 CD1 PHE A 41 -3.066 -4.301 2.625 1.00 0.00 C ATOM 611 CD2 PHE A 41 -0.927 -5.349 2.550 1.00 0.00 C ATOM 612 CE1 PHE A 41 -3.656 -5.463 2.174 1.00 0.00 C ATOM 613 CE2 PHE A 41 -1.512 -6.515 2.097 1.00 0.00 C ATOM 614 CZ PHE A 41 -2.877 -6.571 1.909 1.00 0.00 C ATOM 0 H PHE A 41 0.171 -1.328 5.136 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.484 -2.612 4.878 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.395 -2.134 2.692 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.015 -3.040 3.205 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.679 -3.436 2.831 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.142 -5.309 2.697 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.725 -5.506 2.028 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.902 -7.382 1.890 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.336 -7.482 1.554 1.00 0.00 H new ATOM 624 N ASP A 42 -1.678 -4.150 6.650 1.00 0.00 N ATOM 625 CA ASP A 42 -1.308 -5.225 7.551 1.00 0.00 C ATOM 626 C ASP A 42 -1.350 -6.557 6.823 1.00 0.00 C ATOM 627 O ASP A 42 -2.396 -7.196 6.731 1.00 0.00 O ATOM 628 CB ASP A 42 -2.229 -5.270 8.774 1.00 0.00 C ATOM 629 CG ASP A 42 -1.978 -4.132 9.742 1.00 0.00 C ATOM 630 OD1 ASP A 42 -2.482 -3.015 9.501 1.00 0.00 O ATOM 631 OD2 ASP A 42 -1.274 -4.347 10.754 1.00 0.00 O ATOM 0 H ASP A 42 -2.596 -3.744 6.830 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.292 -5.035 7.898 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.267 -5.236 8.443 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.090 -6.219 9.292 1.00 0.00 H new ATOM 636 N ILE A 43 -0.208 -6.956 6.284 1.00 0.00 N ATOM 637 CA ILE A 43 -0.078 -8.225 5.582 1.00 0.00 C ATOM 638 C ILE A 43 -0.474 -9.376 6.496 1.00 0.00 C ATOM 639 O ILE A 43 -1.093 -10.347 6.071 1.00 0.00 O ATOM 640 CB ILE A 43 1.370 -8.442 5.101 1.00 0.00 C ATOM 641 CG1 ILE A 43 1.829 -7.259 4.246 1.00 0.00 C ATOM 642 CG2 ILE A 43 1.488 -9.743 4.319 1.00 0.00 C ATOM 643 CD1 ILE A 43 3.306 -7.287 3.907 1.00 0.00 C ATOM 0 H ILE A 43 0.653 -6.411 6.320 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.741 -8.196 4.717 1.00 0.00 H new ATOM 0 HB ILE A 43 2.017 -8.510 5.976 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.253 -7.246 3.320 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.604 -6.332 4.774 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.518 -9.877 3.989 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.200 -10.578 4.957 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.830 -9.706 3.451 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.556 -6.417 3.299 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.891 -7.268 4.827 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.534 -8.196 3.351 1.00 0.00 H new ATOM 655 N ASN A 44 -0.121 -9.240 7.763 1.00 0.00 N ATOM 656 CA ASN A 44 -0.409 -10.256 8.759 1.00 0.00 C ATOM 657 C ASN A 44 -1.909 -10.347 9.042 1.00 0.00 C ATOM 658 O ASN A 44 -2.476 -11.440 9.099 1.00 0.00 O ATOM 659 CB ASN A 44 0.341 -9.912 10.043 1.00 0.00 C ATOM 660 CG ASN A 44 0.585 -11.113 10.928 1.00 0.00 C ATOM 661 OD1 ASN A 44 -0.211 -12.048 10.979 1.00 0.00 O ATOM 662 ND2 ASN A 44 1.705 -11.095 11.626 1.00 0.00 N ATOM 0 H ASN A 44 0.372 -8.425 8.128 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.083 -11.224 8.379 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.298 -9.457 9.787 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.227 -9.167 10.600 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.938 -11.878 12.237 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.338 -10.298 11.554 1.00 0.00 H new ATOM 669 N ALA A 45 -2.545 -9.192 9.192 1.00 0.00 N ATOM 670 CA ALA A 45 -3.937 -9.128 9.646 1.00 0.00 C ATOM 671 C ALA A 45 -4.948 -9.251 8.505 1.00 0.00 C ATOM 672 O ALA A 45 -6.099 -9.625 8.741 1.00 0.00 O ATOM 673 CB ALA A 45 -4.174 -7.840 10.416 1.00 0.00 C ATOM 0 H ALA A 45 -2.122 -8.283 9.007 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.095 -9.987 10.298 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.211 -7.801 10.749 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.513 -7.807 11.282 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.968 -6.987 9.770 1.00 0.00 H new ATOM 679 N SER A 46 -4.529 -8.934 7.284 1.00 0.00 N ATOM 680 CA SER A 46 -5.423 -8.972 6.124 1.00 0.00 C ATOM 681 C SER A 46 -5.957 -10.384 5.872 1.00 0.00 C ATOM 682 O SER A 46 -5.407 -11.369 6.372 1.00 0.00 O ATOM 683 CB SER A 46 -4.700 -8.446 4.882 1.00 0.00 C ATOM 684 OG SER A 46 -3.413 -9.026 4.756 1.00 0.00 O ATOM 0 H SER A 46 -3.574 -8.647 7.068 1.00 0.00 H new ATOM 0 HA SER A 46 -6.276 -8.329 6.339 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.290 -8.667 3.993 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.609 -7.361 4.943 1.00 0.00 H new ATOM 0 HG SER A 46 -2.772 -8.521 5.299 1.00 0.00 H new ATOM 690 N SER A 47 -7.033 -10.475 5.109 1.00 0.00 N ATOM 691 CA SER A 47 -7.666 -11.751 4.806 1.00 0.00 C ATOM 692 C SER A 47 -7.060 -12.409 3.563 1.00 0.00 C ATOM 693 O SER A 47 -7.690 -13.245 2.920 1.00 0.00 O ATOM 694 CB SER A 47 -9.169 -11.537 4.617 1.00 0.00 C ATOM 695 OG SER A 47 -9.421 -10.409 3.796 1.00 0.00 O ATOM 0 H SER A 47 -7.493 -9.670 4.683 1.00 0.00 H new ATOM 0 HA SER A 47 -7.491 -12.426 5.643 1.00 0.00 H new ATOM 0 HB2 SER A 47 -9.613 -12.425 4.167 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.645 -11.399 5.588 1.00 0.00 H new ATOM 0 HG SER A 47 -10.388 -10.292 3.688 1.00 0.00 H new ATOM 701 N LEU A 48 -5.826 -12.039 3.241 1.00 0.00 N ATOM 702 CA LEU A 48 -5.123 -12.629 2.109 1.00 0.00 C ATOM 703 C LEU A 48 -4.782 -14.091 2.375 1.00 0.00 C ATOM 704 O LEU A 48 -4.551 -14.482 3.520 1.00 0.00 O ATOM 705 CB LEU A 48 -3.837 -11.857 1.810 1.00 0.00 C ATOM 706 CG LEU A 48 -4.028 -10.474 1.192 1.00 0.00 C ATOM 707 CD1 LEU A 48 -2.679 -9.839 0.905 1.00 0.00 C ATOM 708 CD2 LEU A 48 -4.858 -10.565 -0.080 1.00 0.00 C ATOM 0 H LEU A 48 -5.292 -11.333 3.748 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.787 -12.573 1.247 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.276 -11.746 2.738 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.223 -12.455 1.136 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.565 -9.846 1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.827 -8.853 0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.118 -9.741 1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.122 -10.467 0.210 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.983 -9.569 -0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.350 -11.206 -0.801 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.836 -10.985 0.153 1.00 0.00 H new ATOM 720 N PRO A 49 -4.759 -14.917 1.320 1.00 0.00 N ATOM 721 CA PRO A 49 -4.338 -16.315 1.422 1.00 0.00 C ATOM 722 C PRO A 49 -2.894 -16.431 1.913 1.00 0.00 C ATOM 723 O PRO A 49 -2.034 -15.635 1.524 1.00 0.00 O ATOM 724 CB PRO A 49 -4.456 -16.842 -0.013 1.00 0.00 C ATOM 725 CG PRO A 49 -5.384 -15.897 -0.698 1.00 0.00 C ATOM 726 CD PRO A 49 -5.155 -14.561 -0.054 1.00 0.00 C ATOM 0 HA PRO A 49 -4.943 -16.874 2.136 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.484 -16.866 -0.505 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.847 -17.859 -0.029 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.180 -15.855 -1.768 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -6.420 -16.214 -0.583 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.376 -13.995 -0.565 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.055 -13.947 -0.068 1.00 0.00 H new ATOM 734 N PRO A 50 -2.611 -17.429 2.771 1.00 0.00 N ATOM 735 CA PRO A 50 -1.284 -17.630 3.370 1.00 0.00 C ATOM 736 C PRO A 50 -0.161 -17.645 2.335 1.00 0.00 C ATOM 737 O PRO A 50 0.913 -17.094 2.575 1.00 0.00 O ATOM 738 CB PRO A 50 -1.395 -18.997 4.066 1.00 0.00 C ATOM 739 CG PRO A 50 -2.677 -19.594 3.586 1.00 0.00 C ATOM 740 CD PRO A 50 -3.567 -18.440 3.234 1.00 0.00 C ATOM 0 HA PRO A 50 -1.028 -16.815 4.047 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.548 -19.635 3.813 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.397 -18.885 5.150 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.509 -20.234 2.720 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.131 -20.215 4.358 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -4.285 -18.704 2.458 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -4.140 -18.093 4.094 1.00 0.00 H new ATOM 748 N PHE A 51 -0.423 -18.255 1.181 1.00 0.00 N ATOM 749 CA PHE A 51 0.565 -18.349 0.109 1.00 0.00 C ATOM 750 C PHE A 51 1.082 -16.969 -0.287 1.00 0.00 C ATOM 751 O PHE A 51 2.290 -16.741 -0.376 1.00 0.00 O ATOM 752 CB PHE A 51 -0.052 -19.043 -1.109 1.00 0.00 C ATOM 753 CG PHE A 51 0.911 -19.253 -2.247 1.00 0.00 C ATOM 754 CD1 PHE A 51 1.817 -20.299 -2.220 1.00 0.00 C ATOM 755 CD2 PHE A 51 0.913 -18.396 -3.335 1.00 0.00 C ATOM 756 CE1 PHE A 51 2.703 -20.493 -3.262 1.00 0.00 C ATOM 757 CE2 PHE A 51 1.796 -18.586 -4.382 1.00 0.00 C ATOM 758 CZ PHE A 51 2.695 -19.635 -4.343 1.00 0.00 C ATOM 0 H PHE A 51 -1.318 -18.694 0.964 1.00 0.00 H new ATOM 0 HA PHE A 51 1.408 -18.936 0.474 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.450 -20.010 -0.801 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.895 -18.450 -1.464 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.831 -20.971 -1.375 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.217 -17.570 -3.366 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.402 -21.316 -3.231 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.783 -17.916 -5.229 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.390 -19.783 -5.157 1.00 0.00 H new ATOM 768 N TYR A 52 0.157 -16.046 -0.515 1.00 0.00 N ATOM 769 CA TYR A 52 0.508 -14.700 -0.918 1.00 0.00 C ATOM 770 C TYR A 52 1.146 -13.936 0.234 1.00 0.00 C ATOM 771 O TYR A 52 2.073 -13.151 0.027 1.00 0.00 O ATOM 772 CB TYR A 52 -0.731 -13.972 -1.432 1.00 0.00 C ATOM 773 CG TYR A 52 -1.202 -14.478 -2.778 1.00 0.00 C ATOM 774 CD1 TYR A 52 -0.598 -14.043 -3.952 1.00 0.00 C ATOM 775 CD2 TYR A 52 -2.248 -15.387 -2.877 1.00 0.00 C ATOM 776 CE1 TYR A 52 -1.018 -14.503 -5.185 1.00 0.00 C ATOM 777 CE2 TYR A 52 -2.673 -15.853 -4.107 1.00 0.00 C ATOM 778 CZ TYR A 52 -2.057 -15.404 -5.258 1.00 0.00 C ATOM 779 OH TYR A 52 -2.478 -15.863 -6.485 1.00 0.00 O ATOM 0 H TYR A 52 -0.846 -16.211 -0.426 1.00 0.00 H new ATOM 0 HA TYR A 52 1.240 -14.757 -1.723 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.537 -14.083 -0.707 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.514 -12.906 -1.507 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.214 -13.333 -3.899 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.737 -15.735 -1.979 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.534 -14.158 -6.087 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.483 -16.565 -4.167 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.219 -16.493 -6.362 1.00 0.00 H new ATOM 789 N LYS A 53 0.657 -14.178 1.447 1.00 0.00 N ATOM 790 CA LYS A 53 1.236 -13.565 2.635 1.00 0.00 C ATOM 791 C LYS A 53 2.704 -13.934 2.777 1.00 0.00 C ATOM 792 O LYS A 53 3.527 -13.087 3.104 1.00 0.00 O ATOM 793 CB LYS A 53 0.475 -13.980 3.892 1.00 0.00 C ATOM 794 CG LYS A 53 -0.887 -13.327 4.013 1.00 0.00 C ATOM 795 CD LYS A 53 -1.558 -13.691 5.327 1.00 0.00 C ATOM 796 CE LYS A 53 -2.808 -12.865 5.550 1.00 0.00 C ATOM 797 NZ LYS A 53 -3.480 -13.200 6.831 1.00 0.00 N ATOM 0 H LYS A 53 -0.136 -14.792 1.631 1.00 0.00 H new ATOM 0 HA LYS A 53 1.155 -12.484 2.518 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.352 -15.063 3.893 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.071 -13.726 4.769 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.781 -12.244 3.944 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.518 -13.640 3.181 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.814 -14.750 5.326 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.862 -13.532 6.150 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.548 -11.806 5.544 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.501 -13.028 4.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.426 -12.768 6.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.570 -14.233 6.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.916 -12.835 7.625 1.00 0.00 H new ATOM 811 N GLU A 54 3.028 -15.195 2.514 1.00 0.00 N ATOM 812 CA GLU A 54 4.403 -15.669 2.603 1.00 0.00 C ATOM 813 C GLU A 54 5.311 -14.897 1.648 1.00 0.00 C ATOM 814 O GLU A 54 6.394 -14.458 2.026 1.00 0.00 O ATOM 815 CB GLU A 54 4.479 -17.164 2.295 1.00 0.00 C ATOM 816 CG GLU A 54 3.742 -18.030 3.302 1.00 0.00 C ATOM 817 CD GLU A 54 3.965 -19.508 3.075 1.00 0.00 C ATOM 818 OE1 GLU A 54 3.378 -20.072 2.128 1.00 0.00 O ATOM 819 OE2 GLU A 54 4.733 -20.116 3.852 1.00 0.00 O ATOM 0 H GLU A 54 2.354 -15.909 2.237 1.00 0.00 H new ATOM 0 HA GLU A 54 4.747 -15.500 3.623 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.066 -17.344 1.303 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.525 -17.467 2.264 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.069 -17.768 4.308 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.675 -17.815 3.247 1.00 0.00 H new ATOM 826 N ARG A 55 4.851 -14.729 0.414 1.00 0.00 N ATOM 827 CA ARG A 55 5.602 -13.982 -0.591 1.00 0.00 C ATOM 828 C ARG A 55 5.792 -12.527 -0.176 1.00 0.00 C ATOM 829 O ARG A 55 6.831 -11.928 -0.446 1.00 0.00 O ATOM 830 CB ARG A 55 4.899 -14.057 -1.948 1.00 0.00 C ATOM 831 CG ARG A 55 5.055 -15.402 -2.636 1.00 0.00 C ATOM 832 CD ARG A 55 6.494 -15.634 -3.074 1.00 0.00 C ATOM 833 NE ARG A 55 6.687 -16.963 -3.656 1.00 0.00 N ATOM 834 CZ ARG A 55 7.638 -17.263 -4.543 1.00 0.00 C ATOM 835 NH1 ARG A 55 8.473 -16.330 -4.981 1.00 0.00 N ATOM 836 NH2 ARG A 55 7.748 -18.497 -5.008 1.00 0.00 N ATOM 0 H ARG A 55 3.960 -15.100 0.084 1.00 0.00 H new ATOM 0 HA ARG A 55 6.588 -14.439 -0.676 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.838 -13.849 -1.811 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.296 -13.277 -2.598 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.746 -16.198 -1.958 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.396 -15.448 -3.503 1.00 0.00 H new ATOM 0 HD2 ARG A 55 6.777 -14.875 -3.804 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.157 -15.515 -2.217 1.00 0.00 H new ATOM 0 HE ARG A 55 6.054 -17.708 -3.365 1.00 0.00 H new ATOM 0 HH11 ARG A 55 8.392 -15.372 -4.640 1.00 0.00 H new ATOM 0 HH12 ARG A 55 9.196 -16.570 -5.659 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.105 -19.222 -4.689 1.00 0.00 H new ATOM 0 HH22 ARG A 55 8.476 -18.724 -5.686 1.00 0.00 H new ATOM 850 N LEU A 56 4.783 -11.963 0.475 1.00 0.00 N ATOM 851 CA LEU A 56 4.853 -10.588 0.959 1.00 0.00 C ATOM 852 C LEU A 56 5.774 -10.477 2.173 1.00 0.00 C ATOM 853 O LEU A 56 6.601 -9.573 2.256 1.00 0.00 O ATOM 854 CB LEU A 56 3.454 -10.086 1.324 1.00 0.00 C ATOM 855 CG LEU A 56 2.496 -9.901 0.147 1.00 0.00 C ATOM 856 CD1 LEU A 56 1.106 -9.533 0.643 1.00 0.00 C ATOM 857 CD2 LEU A 56 3.019 -8.836 -0.800 1.00 0.00 C ATOM 0 H LEU A 56 3.904 -12.437 0.681 1.00 0.00 H new ATOM 0 HA LEU A 56 5.263 -9.971 0.159 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.007 -10.788 2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.553 -9.133 1.844 1.00 0.00 H new ATOM 0 HG LEU A 56 2.430 -10.845 -0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.438 -9.405 -0.209 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.727 -10.327 1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.156 -8.602 1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.325 -8.717 -1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.113 -7.890 -0.267 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.995 -9.136 -1.181 1.00 0.00 H new ATOM 869 N LEU A 57 5.608 -11.395 3.118 1.00 0.00 N ATOM 870 CA LEU A 57 6.411 -11.425 4.323 1.00 0.00 C ATOM 871 C LEU A 57 7.881 -11.667 4.001 1.00 0.00 C ATOM 872 O LEU A 57 8.769 -11.079 4.619 1.00 0.00 O ATOM 873 CB LEU A 57 5.891 -12.525 5.244 1.00 0.00 C ATOM 874 CG LEU A 57 4.502 -12.280 5.842 1.00 0.00 C ATOM 875 CD1 LEU A 57 4.067 -13.473 6.676 1.00 0.00 C ATOM 876 CD2 LEU A 57 4.500 -11.015 6.683 1.00 0.00 C ATOM 0 H LEU A 57 4.911 -12.138 3.065 1.00 0.00 H new ATOM 0 HA LEU A 57 6.333 -10.457 4.818 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.868 -13.461 4.686 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.601 -12.658 6.060 1.00 0.00 H new ATOM 0 HG LEU A 57 3.792 -12.151 5.025 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.078 -13.284 7.094 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.031 -14.363 6.047 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.779 -13.630 7.486 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.505 -10.857 7.100 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.221 -11.116 7.494 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.772 -10.163 6.060 1.00 0.00 H new ATOM 888 N ALA A 58 8.129 -12.534 3.036 1.00 0.00 N ATOM 889 CA ALA A 58 9.482 -12.839 2.609 1.00 0.00 C ATOM 890 C ALA A 58 9.800 -12.129 1.301 1.00 0.00 C ATOM 891 O ALA A 58 10.363 -12.722 0.379 1.00 0.00 O ATOM 892 CB ALA A 58 9.662 -14.344 2.463 1.00 0.00 C ATOM 0 H ALA A 58 7.404 -13.043 2.530 1.00 0.00 H new ATOM 0 HA ALA A 58 10.177 -12.481 3.368 1.00 0.00 H new ATOM 0 HB1 ALA A 58 10.681 -14.559 2.142 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.474 -14.828 3.421 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.960 -14.724 1.721 1.00 0.00 H new ATOM 898 N LEU A 59 9.442 -10.856 1.225 1.00 0.00 N ATOM 899 CA LEU A 59 9.709 -10.063 0.049 1.00 0.00 C ATOM 900 C LEU A 59 11.119 -9.496 0.111 1.00 0.00 C ATOM 901 O LEU A 59 11.898 -9.829 1.004 1.00 0.00 O ATOM 902 CB LEU A 59 8.685 -8.937 -0.063 1.00 0.00 C ATOM 903 CG LEU A 59 7.823 -8.957 -1.330 1.00 0.00 C ATOM 904 CD1 LEU A 59 6.812 -7.826 -1.300 1.00 0.00 C ATOM 905 CD2 LEU A 59 8.691 -8.865 -2.577 1.00 0.00 C ATOM 0 H LEU A 59 8.963 -10.353 1.972 1.00 0.00 H new ATOM 0 HA LEU A 59 9.629 -10.697 -0.834 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.027 -8.980 0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 59 9.212 -7.984 -0.017 1.00 0.00 H new ATOM 0 HG LEU A 59 7.284 -9.904 -1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.208 -7.854 -2.207 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.166 -7.939 -0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.335 -6.872 -1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 59 8.057 -8.881 -3.464 1.00 0.00 H new ATOM 0 HD22 LEU A 59 9.261 -7.936 -2.556 1.00 0.00 H new ATOM 0 HD23 LEU A 59 9.377 -9.712 -2.606 1.00 0.00 H new ATOM 917 N ASN A 60 11.441 -8.640 -0.834 1.00 0.00 N ATOM 918 CA ASN A 60 12.781 -8.096 -0.936 1.00 0.00 C ATOM 919 C ASN A 60 12.772 -6.599 -0.671 1.00 0.00 C ATOM 920 O ASN A 60 13.729 -5.893 -0.987 1.00 0.00 O ATOM 921 CB ASN A 60 13.344 -8.384 -2.326 1.00 0.00 C ATOM 922 CG ASN A 60 14.825 -8.711 -2.302 1.00 0.00 C ATOM 923 OD1 ASN A 60 15.204 -9.871 -2.137 1.00 0.00 O ATOM 924 ND2 ASN A 60 15.667 -7.703 -2.464 1.00 0.00 N ATOM 0 H ASN A 60 10.792 -8.304 -1.546 1.00 0.00 H new ATOM 0 HA ASN A 60 13.414 -8.570 -0.186 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.799 -9.218 -2.768 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.178 -7.518 -2.967 1.00 0.00 H new ATOM 0 HD21 ASN A 60 16.673 -7.872 -2.455 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.310 -6.757 -2.598 1.00 0.00 H new ATOM 931 N ASP A 61 11.686 -6.116 -0.083 1.00 0.00 N ATOM 932 CA ASP A 61 11.532 -4.694 0.149 1.00 0.00 C ATOM 933 C ASP A 61 12.171 -4.317 1.480 1.00 0.00 C ATOM 934 O ASP A 61 12.616 -5.185 2.233 1.00 0.00 O ATOM 935 CB ASP A 61 10.049 -4.302 0.117 1.00 0.00 C ATOM 936 CG ASP A 61 9.845 -2.799 0.129 1.00 0.00 C ATOM 937 OD1 ASP A 61 10.037 -2.158 -0.924 1.00 0.00 O ATOM 938 OD2 ASP A 61 9.520 -2.251 1.198 1.00 0.00 O ATOM 0 H ASP A 61 10.905 -6.688 0.239 1.00 0.00 H new ATOM 0 HA ASP A 61 12.038 -4.145 -0.645 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.585 -4.721 -0.776 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.542 -4.741 0.976 1.00 0.00 H new ATOM 943 N SER A 62 12.229 -3.034 1.759 1.00 0.00 N ATOM 944 CA SER A 62 12.908 -2.539 2.945 1.00 0.00 C ATOM 945 C SER A 62 11.954 -1.777 3.866 1.00 0.00 C ATOM 946 O SER A 62 12.256 -1.566 5.040 1.00 0.00 O ATOM 947 CB SER A 62 14.076 -1.646 2.528 1.00 0.00 C ATOM 948 OG SER A 62 14.946 -2.331 1.638 1.00 0.00 O ATOM 0 H SER A 62 11.812 -2.306 1.178 1.00 0.00 H new ATOM 0 HA SER A 62 13.285 -3.394 3.506 1.00 0.00 H new ATOM 0 HB2 SER A 62 13.696 -0.744 2.049 1.00 0.00 H new ATOM 0 HB3 SER A 62 14.630 -1.329 3.412 1.00 0.00 H new ATOM 0 HG SER A 62 15.685 -1.740 1.383 1.00 0.00 H new ATOM 954 N ARG A 63 10.801 -1.373 3.346 1.00 0.00 N ATOM 955 CA ARG A 63 9.833 -0.637 4.147 1.00 0.00 C ATOM 956 C ARG A 63 8.816 -1.596 4.748 1.00 0.00 C ATOM 957 O ARG A 63 8.077 -1.243 5.668 1.00 0.00 O ATOM 958 CB ARG A 63 9.135 0.444 3.318 1.00 0.00 C ATOM 959 CG ARG A 63 10.100 1.459 2.732 1.00 0.00 C ATOM 960 CD ARG A 63 9.376 2.663 2.159 1.00 0.00 C ATOM 961 NE ARG A 63 10.303 3.571 1.482 1.00 0.00 N ATOM 962 CZ ARG A 63 10.575 4.812 1.888 1.00 0.00 C ATOM 963 NH1 ARG A 63 10.006 5.299 2.986 1.00 0.00 N ATOM 964 NH2 ARG A 63 11.428 5.559 1.199 1.00 0.00 N ATOM 0 H ARG A 63 10.516 -1.541 2.381 1.00 0.00 H new ATOM 0 HA ARG A 63 10.367 -0.138 4.956 1.00 0.00 H new ATOM 0 HB2 ARG A 63 8.579 -0.029 2.509 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.408 0.961 3.944 1.00 0.00 H new ATOM 0 HG2 ARG A 63 10.795 1.787 3.505 1.00 0.00 H new ATOM 0 HG3 ARG A 63 10.693 0.986 1.950 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.612 2.330 1.456 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.862 3.195 2.959 1.00 0.00 H new ATOM 0 HE ARG A 63 10.773 3.232 0.643 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.358 4.723 3.523 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.218 6.249 3.292 1.00 0.00 H new ATOM 0 HH21 ARG A 63 11.873 5.184 0.362 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.638 6.508 1.507 1.00 0.00 H new ATOM 978 N ILE A 64 8.789 -2.810 4.215 1.00 0.00 N ATOM 979 CA ILE A 64 8.016 -3.884 4.813 1.00 0.00 C ATOM 980 C ILE A 64 8.532 -4.148 6.220 1.00 0.00 C ATOM 981 O ILE A 64 9.682 -4.556 6.406 1.00 0.00 O ATOM 982 CB ILE A 64 8.089 -5.185 3.976 1.00 0.00 C ATOM 983 CG1 ILE A 64 7.456 -4.959 2.603 1.00 0.00 C ATOM 984 CG2 ILE A 64 7.394 -6.330 4.706 1.00 0.00 C ATOM 985 CD1 ILE A 64 7.461 -6.187 1.726 1.00 0.00 C ATOM 0 H ILE A 64 9.295 -3.073 3.369 1.00 0.00 H new ATOM 0 HA ILE A 64 6.972 -3.573 4.844 1.00 0.00 H new ATOM 0 HB ILE A 64 9.136 -5.456 3.838 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.428 -4.623 2.737 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.990 -4.157 2.094 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.455 -7.236 4.103 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.882 -6.499 5.666 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.347 -6.074 4.871 1.00 0.00 H new ATOM 0 HD11 ILE A 64 6.996 -5.952 0.768 1.00 0.00 H new ATOM 0 HD12 ILE A 64 8.488 -6.512 1.561 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.902 -6.985 2.214 1.00 0.00 H new ATOM 997 N THR A 65 7.699 -3.884 7.211 1.00 0.00 N ATOM 998 CA THR A 65 8.117 -4.024 8.593 1.00 0.00 C ATOM 999 C THR A 65 8.046 -5.491 9.014 1.00 0.00 C ATOM 1000 O THR A 65 7.355 -6.295 8.382 1.00 0.00 O ATOM 1001 CB THR A 65 7.256 -3.162 9.524 1.00 0.00 C ATOM 1002 OG1 THR A 65 6.584 -2.156 8.754 1.00 0.00 O ATOM 1003 CG2 THR A 65 8.111 -2.489 10.586 1.00 0.00 C ATOM 0 H THR A 65 6.736 -3.574 7.085 1.00 0.00 H new ATOM 0 HA THR A 65 9.147 -3.677 8.673 1.00 0.00 H new ATOM 0 HB THR A 65 6.530 -3.807 10.018 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.032 -1.605 9.347 1.00 0.00 H new ATOM 0 HG21 THR A 65 7.477 -1.883 11.234 1.00 0.00 H new ATOM 0 HG22 THR A 65 8.617 -3.249 11.181 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.853 -1.851 10.105 1.00 0.00 H new ATOM 1011 N SER A 66 8.723 -5.827 10.098 1.00 0.00 N ATOM 1012 CA SER A 66 8.978 -7.221 10.439 1.00 0.00 C ATOM 1013 C SER A 66 7.843 -7.847 11.247 1.00 0.00 C ATOM 1014 O SER A 66 7.982 -8.952 11.770 1.00 0.00 O ATOM 1015 CB SER A 66 10.298 -7.322 11.198 1.00 0.00 C ATOM 1016 OG SER A 66 11.357 -6.782 10.422 1.00 0.00 O ATOM 0 H SER A 66 9.108 -5.154 10.760 1.00 0.00 H new ATOM 0 HA SER A 66 9.040 -7.785 9.508 1.00 0.00 H new ATOM 0 HB2 SER A 66 10.223 -6.787 12.145 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.509 -8.364 11.437 1.00 0.00 H new ATOM 0 HG SER A 66 12.197 -6.852 10.922 1.00 0.00 H new ATOM 1022 N ASP A 67 6.720 -7.153 11.348 1.00 0.00 N ATOM 1023 CA ASP A 67 5.539 -7.731 11.977 1.00 0.00 C ATOM 1024 C ASP A 67 4.510 -8.068 10.906 1.00 0.00 C ATOM 1025 O ASP A 67 3.433 -8.593 11.190 1.00 0.00 O ATOM 1026 CB ASP A 67 4.961 -6.775 13.025 1.00 0.00 C ATOM 1027 CG ASP A 67 3.837 -7.395 13.827 1.00 0.00 C ATOM 1028 OD1 ASP A 67 4.046 -8.483 14.409 1.00 0.00 O ATOM 1029 OD2 ASP A 67 2.743 -6.785 13.889 1.00 0.00 O ATOM 0 H ASP A 67 6.600 -6.199 11.007 1.00 0.00 H new ATOM 0 HA ASP A 67 5.818 -8.649 12.494 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.755 -6.463 13.703 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.594 -5.877 12.528 1.00 0.00 H new ATOM 1034 N GLY A 68 4.872 -7.785 9.660 1.00 0.00 N ATOM 1035 CA GLY A 68 4.005 -8.098 8.544 1.00 0.00 C ATOM 1036 C GLY A 68 3.097 -6.946 8.179 1.00 0.00 C ATOM 1037 O GLY A 68 1.878 -7.107 8.117 1.00 0.00 O ATOM 0 H GLY A 68 5.755 -7.342 9.404 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.612 -8.366 7.680 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.400 -8.970 8.791 1.00 0.00 H new ATOM 1041 N VAL A 69 3.684 -5.780 7.946 1.00 0.00 N ATOM 1042 CA VAL A 69 2.918 -4.598 7.577 1.00 0.00 C ATOM 1043 C VAL A 69 3.623 -3.820 6.471 1.00 0.00 C ATOM 1044 O VAL A 69 4.840 -3.624 6.509 1.00 0.00 O ATOM 1045 CB VAL A 69 2.687 -3.654 8.784 1.00 0.00 C ATOM 1046 CG1 VAL A 69 1.886 -2.428 8.374 1.00 0.00 C ATOM 1047 CG2 VAL A 69 1.981 -4.381 9.919 1.00 0.00 C ATOM 0 H VAL A 69 4.691 -5.627 8.006 1.00 0.00 H new ATOM 0 HA VAL A 69 1.950 -4.953 7.223 1.00 0.00 H new ATOM 0 HB VAL A 69 3.666 -3.327 9.136 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.739 -1.783 9.240 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.428 -1.881 7.602 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.917 -2.740 7.985 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.832 -3.695 10.753 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.014 -4.746 9.572 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.591 -5.223 10.247 1.00 0.00 H new ATOM 1057 N ILE A 70 2.849 -3.405 5.483 1.00 0.00 N ATOM 1058 CA ILE A 70 3.332 -2.542 4.417 1.00 0.00 C ATOM 1059 C ILE A 70 2.957 -1.093 4.728 1.00 0.00 C ATOM 1060 O ILE A 70 1.823 -0.812 5.127 1.00 0.00 O ATOM 1061 CB ILE A 70 2.755 -2.990 3.041 1.00 0.00 C ATOM 1062 CG1 ILE A 70 3.839 -3.682 2.211 1.00 0.00 C ATOM 1063 CG2 ILE A 70 2.152 -1.829 2.259 1.00 0.00 C ATOM 1064 CD1 ILE A 70 4.973 -2.765 1.804 1.00 0.00 C ATOM 0 H ILE A 70 1.865 -3.658 5.397 1.00 0.00 H new ATOM 0 HA ILE A 70 4.418 -2.619 4.356 1.00 0.00 H new ATOM 0 HB ILE A 70 1.949 -3.695 3.244 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.245 -4.516 2.783 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.384 -4.103 1.314 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.764 -2.194 1.308 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.341 -1.384 2.835 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.920 -1.078 2.074 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.702 -3.326 1.219 1.00 0.00 H new ATOM 0 HD12 ILE A 70 4.580 -1.944 1.204 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.455 -2.364 2.696 1.00 0.00 H new ATOM 1076 N VAL A 71 3.913 -0.185 4.585 1.00 0.00 N ATOM 1077 CA VAL A 71 3.688 1.220 4.913 1.00 0.00 C ATOM 1078 C VAL A 71 4.209 2.124 3.801 1.00 0.00 C ATOM 1079 O VAL A 71 5.348 1.974 3.355 1.00 0.00 O ATOM 1080 CB VAL A 71 4.386 1.614 6.236 1.00 0.00 C ATOM 1081 CG1 VAL A 71 4.074 3.053 6.610 1.00 0.00 C ATOM 1082 CG2 VAL A 71 3.990 0.673 7.366 1.00 0.00 C ATOM 0 H VAL A 71 4.852 -0.394 4.245 1.00 0.00 H new ATOM 0 HA VAL A 71 2.612 1.350 5.025 1.00 0.00 H new ATOM 0 HB VAL A 71 5.461 1.526 6.080 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.577 3.304 7.544 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.423 3.718 5.820 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.998 3.171 6.735 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.495 0.974 8.284 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.911 0.717 7.515 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.280 -0.346 7.109 1.00 0.00 H new ATOM 1092 N LEU A 72 3.373 3.056 3.350 1.00 0.00 N ATOM 1093 CA LEU A 72 3.779 4.016 2.329 1.00 0.00 C ATOM 1094 C LEU A 72 3.183 5.381 2.639 1.00 0.00 C ATOM 1095 O LEU A 72 2.253 5.499 3.442 1.00 0.00 O ATOM 1096 CB LEU A 72 3.337 3.601 0.916 1.00 0.00 C ATOM 1097 CG LEU A 72 3.890 2.272 0.386 1.00 0.00 C ATOM 1098 CD1 LEU A 72 2.997 1.114 0.800 1.00 0.00 C ATOM 1099 CD2 LEU A 72 4.027 2.323 -1.127 1.00 0.00 C ATOM 0 H LEU A 72 2.412 3.166 3.675 1.00 0.00 H new ATOM 0 HA LEU A 72 4.868 4.051 2.347 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.248 3.547 0.902 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.626 4.391 0.223 1.00 0.00 H new ATOM 0 HG LEU A 72 4.877 2.113 0.820 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.408 0.181 0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.946 1.065 1.888 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.996 1.264 0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.421 1.373 -1.489 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.050 2.505 -1.575 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.709 3.127 -1.404 1.00 0.00 H new ATOM 1111 N LYS A 73 3.715 6.399 1.994 1.00 0.00 N ATOM 1112 CA LYS A 73 3.188 7.747 2.115 1.00 0.00 C ATOM 1113 C LYS A 73 3.266 8.457 0.773 1.00 0.00 C ATOM 1114 O LYS A 73 4.338 8.843 0.306 1.00 0.00 O ATOM 1115 CB LYS A 73 3.908 8.539 3.211 1.00 0.00 C ATOM 1116 CG LYS A 73 5.427 8.433 3.180 1.00 0.00 C ATOM 1117 CD LYS A 73 6.063 9.202 4.331 1.00 0.00 C ATOM 1118 CE LYS A 73 5.617 8.663 5.682 1.00 0.00 C ATOM 1119 NZ LYS A 73 6.223 9.409 6.819 1.00 0.00 N ATOM 0 H LYS A 73 4.521 6.318 1.374 1.00 0.00 H new ATOM 0 HA LYS A 73 2.141 7.681 2.412 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.629 9.589 3.124 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.553 8.194 4.182 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.721 7.385 3.235 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.801 8.820 2.232 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.149 9.140 4.255 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.798 10.257 4.254 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.531 8.719 5.752 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.887 7.610 5.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.889 9.005 7.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.259 9.335 6.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.945 10.410 6.765 1.00 0.00 H new ATOM 1133 N ALA A 74 2.115 8.608 0.154 1.00 0.00 N ATOM 1134 CA ALA A 74 2.028 9.171 -1.175 1.00 0.00 C ATOM 1135 C ALA A 74 1.871 10.681 -1.104 1.00 0.00 C ATOM 1136 O ALA A 74 0.797 11.200 -0.808 1.00 0.00 O ATOM 1137 CB ALA A 74 0.877 8.544 -1.944 1.00 0.00 C ATOM 0 H ALA A 74 1.216 8.345 0.557 1.00 0.00 H new ATOM 0 HA ALA A 74 2.953 8.950 -1.707 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.826 8.979 -2.942 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.036 7.469 -2.025 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.058 8.734 -1.417 1.00 0.00 H new ATOM 1143 N GLN A 75 2.971 11.368 -1.351 1.00 0.00 N ATOM 1144 CA GLN A 75 3.000 12.820 -1.380 1.00 0.00 C ATOM 1145 C GLN A 75 3.742 13.279 -2.625 1.00 0.00 C ATOM 1146 O GLN A 75 4.600 14.160 -2.581 1.00 0.00 O ATOM 1147 CB GLN A 75 3.658 13.355 -0.102 1.00 0.00 C ATOM 1148 CG GLN A 75 4.888 12.572 0.339 1.00 0.00 C ATOM 1149 CD GLN A 75 5.349 12.949 1.736 1.00 0.00 C ATOM 1150 OE1 GLN A 75 4.898 12.374 2.727 1.00 0.00 O ATOM 1151 NE2 GLN A 75 6.263 13.902 1.826 1.00 0.00 N ATOM 0 H GLN A 75 3.874 10.933 -1.538 1.00 0.00 H new ATOM 0 HA GLN A 75 1.985 13.215 -1.419 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.941 14.396 -0.260 1.00 0.00 H new ATOM 0 HB3 GLN A 75 2.924 13.343 0.704 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.665 11.505 0.309 1.00 0.00 H new ATOM 0 HG3 GLN A 75 5.699 12.748 -0.367 1.00 0.00 H new ATOM 0 HE21 GLN A 75 6.612 14.355 0.982 1.00 0.00 H new ATOM 0 HE22 GLN A 75 6.618 14.183 2.740 1.00 0.00 H new ATOM 1160 N GLN A 76 3.380 12.665 -3.745 1.00 0.00 N ATOM 1161 CA GLN A 76 4.069 12.882 -5.009 1.00 0.00 C ATOM 1162 C GLN A 76 3.211 13.693 -5.976 1.00 0.00 C ATOM 1163 O GLN A 76 3.710 14.597 -6.648 1.00 0.00 O ATOM 1164 CB GLN A 76 4.424 11.531 -5.638 1.00 0.00 C ATOM 1165 CG GLN A 76 5.171 11.640 -6.962 1.00 0.00 C ATOM 1166 CD GLN A 76 6.657 11.918 -6.803 1.00 0.00 C ATOM 1167 OE1 GLN A 76 7.039 12.588 -5.728 1.00 0.00 O flip ATOM 1168 NE2 GLN A 76 7.461 11.522 -7.648 1.00 0.00 N flip ATOM 0 H GLN A 76 2.604 12.006 -3.802 1.00 0.00 H new ATOM 0 HA GLN A 76 4.979 13.448 -4.810 1.00 0.00 H new ATOM 0 HB2 GLN A 76 5.033 10.963 -4.935 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.507 10.963 -5.796 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.041 10.713 -7.520 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.723 12.435 -7.558 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.131 11.008 -8.465 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.457 11.708 -7.531 1.00 0.00 H new ATOM 1177 N TYR A 77 1.930 13.365 -6.050 1.00 0.00 N ATOM 1178 CA TYR A 77 1.037 14.004 -7.005 1.00 0.00 C ATOM 1179 C TYR A 77 0.344 15.215 -6.381 1.00 0.00 C ATOM 1180 O TYR A 77 0.395 15.412 -5.167 1.00 0.00 O ATOM 1181 CB TYR A 77 0.000 13.000 -7.512 1.00 0.00 C ATOM 1182 CG TYR A 77 -0.113 12.960 -9.019 1.00 0.00 C ATOM 1183 CD1 TYR A 77 -0.986 13.804 -9.696 1.00 0.00 C ATOM 1184 CD2 TYR A 77 0.652 12.074 -9.766 1.00 0.00 C ATOM 1185 CE1 TYR A 77 -1.089 13.766 -11.074 1.00 0.00 C ATOM 1186 CE2 TYR A 77 0.557 12.031 -11.144 1.00 0.00 C ATOM 1187 CZ TYR A 77 -0.319 12.878 -11.794 1.00 0.00 C ATOM 1188 OH TYR A 77 -0.415 12.843 -13.168 1.00 0.00 O ATOM 0 H TYR A 77 1.486 12.661 -5.461 1.00 0.00 H new ATOM 0 HA TYR A 77 1.633 14.353 -7.849 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.260 12.006 -7.148 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.973 13.250 -7.089 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.593 14.500 -9.137 1.00 0.00 H new ATOM 0 HD2 TYR A 77 1.334 11.406 -9.261 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -1.771 14.430 -11.585 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.164 11.339 -11.709 1.00 0.00 H new ATOM 0 HH TYR A 77 0.195 12.163 -13.521 1.00 0.00 H new ATOM 1198 N ARG A 78 -0.312 16.005 -7.222 1.00 0.00 N ATOM 1199 CA ARG A 78 -0.901 17.275 -6.803 1.00 0.00 C ATOM 1200 C ARG A 78 -2.095 17.089 -5.865 1.00 0.00 C ATOM 1201 O ARG A 78 -2.231 17.814 -4.880 1.00 0.00 O ATOM 1202 CB ARG A 78 -1.337 18.072 -8.031 1.00 0.00 C ATOM 1203 CG ARG A 78 -1.923 19.436 -7.696 1.00 0.00 C ATOM 1204 CD ARG A 78 -2.518 20.106 -8.923 1.00 0.00 C ATOM 1205 NE ARG A 78 -3.066 21.422 -8.613 1.00 0.00 N ATOM 1206 CZ ARG A 78 -4.350 21.750 -8.744 1.00 0.00 C ATOM 1207 NH1 ARG A 78 -5.231 20.869 -9.209 1.00 0.00 N ATOM 1208 NH2 ARG A 78 -4.744 22.974 -8.422 1.00 0.00 N ATOM 0 H ARG A 78 -0.451 15.787 -8.209 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.134 17.818 -6.250 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.479 18.206 -8.690 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.077 17.494 -8.585 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.693 19.324 -6.933 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.146 20.073 -7.274 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.751 20.204 -9.691 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.304 19.474 -9.337 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.424 22.138 -8.274 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.926 19.931 -9.469 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.212 21.131 -9.305 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.066 23.654 -8.078 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.725 23.236 -8.518 1.00 0.00 H new ATOM 1222 N THR A 79 -2.964 16.140 -6.173 1.00 0.00 N ATOM 1223 CA THR A 79 -4.182 15.952 -5.400 1.00 0.00 C ATOM 1224 C THR A 79 -4.123 14.676 -4.568 1.00 0.00 C ATOM 1225 O THR A 79 -3.373 13.749 -4.885 1.00 0.00 O ATOM 1226 CB THR A 79 -5.411 15.912 -6.325 1.00 0.00 C ATOM 1227 OG1 THR A 79 -5.179 14.989 -7.397 1.00 0.00 O ATOM 1228 CG2 THR A 79 -5.717 17.294 -6.887 1.00 0.00 C ATOM 0 H THR A 79 -2.850 15.489 -6.950 1.00 0.00 H new ATOM 0 HA THR A 79 -4.271 16.800 -4.722 1.00 0.00 H new ATOM 0 HB THR A 79 -6.271 15.584 -5.741 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.889 15.080 -8.066 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.590 17.237 -7.537 1.00 0.00 H new ATOM 0 HG22 THR A 79 -5.919 17.983 -6.067 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.861 17.652 -7.459 1.00 0.00 H new ATOM 1236 N GLN A 80 -4.932 14.629 -3.514 1.00 0.00 N ATOM 1237 CA GLN A 80 -4.962 13.483 -2.608 1.00 0.00 C ATOM 1238 C GLN A 80 -5.436 12.237 -3.343 1.00 0.00 C ATOM 1239 O GLN A 80 -4.862 11.162 -3.191 1.00 0.00 O ATOM 1240 CB GLN A 80 -5.897 13.747 -1.425 1.00 0.00 C ATOM 1241 CG GLN A 80 -5.549 14.987 -0.620 1.00 0.00 C ATOM 1242 CD GLN A 80 -6.488 15.202 0.550 1.00 0.00 C ATOM 1243 OE1 GLN A 80 -7.652 14.799 0.514 1.00 0.00 O ATOM 1244 NE2 GLN A 80 -5.997 15.854 1.590 1.00 0.00 N ATOM 0 H GLN A 80 -5.580 15.376 -3.264 1.00 0.00 H new ATOM 0 HA GLN A 80 -3.949 13.328 -2.237 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.917 13.844 -1.797 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -5.880 12.881 -0.763 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -4.527 14.901 -0.251 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -5.580 15.860 -1.272 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -5.028 16.172 1.582 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -6.587 16.039 2.401 1.00 0.00 H new ATOM 1253 N GLU A 81 -6.473 12.405 -4.153 1.00 0.00 N ATOM 1254 CA GLU A 81 -7.103 11.298 -4.854 1.00 0.00 C ATOM 1255 C GLU A 81 -6.134 10.621 -5.818 1.00 0.00 C ATOM 1256 O GLU A 81 -6.141 9.397 -5.958 1.00 0.00 O ATOM 1257 CB GLU A 81 -8.337 11.801 -5.605 1.00 0.00 C ATOM 1258 CG GLU A 81 -9.371 12.448 -4.695 1.00 0.00 C ATOM 1259 CD GLU A 81 -9.861 11.506 -3.614 1.00 0.00 C ATOM 1260 OE1 GLU A 81 -9.201 11.406 -2.560 1.00 0.00 O ATOM 1261 OE2 GLU A 81 -10.915 10.864 -3.811 1.00 0.00 O ATOM 0 H GLU A 81 -6.900 13.312 -4.341 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.404 10.554 -4.117 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -8.025 12.522 -6.360 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -8.798 10.966 -6.133 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -8.939 13.335 -4.231 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -10.219 12.782 -5.293 1.00 0.00 H new ATOM 1268 N GLN A 82 -5.285 11.410 -6.467 1.00 0.00 N ATOM 1269 CA GLN A 82 -4.313 10.859 -7.404 1.00 0.00 C ATOM 1270 C GLN A 82 -3.227 10.086 -6.668 1.00 0.00 C ATOM 1271 O GLN A 82 -2.809 9.023 -7.118 1.00 0.00 O ATOM 1272 CB GLN A 82 -3.701 11.956 -8.275 1.00 0.00 C ATOM 1273 CG GLN A 82 -4.675 12.521 -9.295 1.00 0.00 C ATOM 1274 CD GLN A 82 -5.235 11.457 -10.221 1.00 0.00 C ATOM 1275 OE1 GLN A 82 -4.569 10.466 -10.527 1.00 0.00 O ATOM 1276 NE2 GLN A 82 -6.464 11.654 -10.669 1.00 0.00 N ATOM 0 H GLN A 82 -5.250 12.424 -6.363 1.00 0.00 H new ATOM 0 HA GLN A 82 -4.840 10.166 -8.060 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.346 12.764 -7.635 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -2.831 11.555 -8.795 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -5.497 13.012 -8.774 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -4.172 13.285 -9.888 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.981 12.488 -10.391 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -6.895 10.972 -11.293 1.00 0.00 H new ATOM 1285 N ASN A 83 -2.790 10.608 -5.526 1.00 0.00 N ATOM 1286 CA ASN A 83 -1.831 9.891 -4.688 1.00 0.00 C ATOM 1287 C ASN A 83 -2.479 8.635 -4.120 1.00 0.00 C ATOM 1288 O ASN A 83 -1.843 7.587 -4.001 1.00 0.00 O ATOM 1289 CB ASN A 83 -1.328 10.767 -3.536 1.00 0.00 C ATOM 1290 CG ASN A 83 -0.352 11.841 -3.979 1.00 0.00 C ATOM 1291 OD1 ASN A 83 0.846 11.591 -4.116 1.00 0.00 O ATOM 1292 ND2 ASN A 83 -0.848 13.052 -4.178 1.00 0.00 N ATOM 0 H ASN A 83 -3.080 11.515 -5.161 1.00 0.00 H new ATOM 0 HA ASN A 83 -0.979 9.622 -5.312 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.181 11.240 -3.049 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.847 10.134 -2.791 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -0.232 13.816 -4.455 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.846 13.221 -4.055 1.00 0.00 H new ATOM 1299 N ARG A 84 -3.755 8.758 -3.782 1.00 0.00 N ATOM 1300 CA ARG A 84 -4.534 7.658 -3.237 1.00 0.00 C ATOM 1301 C ARG A 84 -4.639 6.531 -4.258 1.00 0.00 C ATOM 1302 O ARG A 84 -4.382 5.370 -3.947 1.00 0.00 O ATOM 1303 CB ARG A 84 -5.925 8.168 -2.854 1.00 0.00 C ATOM 1304 CG ARG A 84 -6.659 7.316 -1.833 1.00 0.00 C ATOM 1305 CD ARG A 84 -8.000 7.943 -1.482 1.00 0.00 C ATOM 1306 NE ARG A 84 -8.718 7.196 -0.449 1.00 0.00 N ATOM 1307 CZ ARG A 84 -10.046 7.069 -0.417 1.00 0.00 C ATOM 1308 NH1 ARG A 84 -10.794 7.629 -1.359 1.00 0.00 N ATOM 1309 NH2 ARG A 84 -10.632 6.402 0.570 1.00 0.00 N ATOM 0 H ARG A 84 -4.280 9.627 -3.879 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.039 7.266 -2.348 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.829 9.180 -2.460 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.533 8.233 -3.756 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.813 6.313 -2.231 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.052 7.213 -0.933 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.840 8.966 -1.141 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.616 7.999 -2.379 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.173 6.747 0.288 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.354 8.159 -2.111 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -11.809 7.529 -1.331 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.067 5.984 1.309 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -11.647 6.308 0.590 1.00 0.00 H new ATOM 1323 N ALA A 85 -5.001 6.895 -5.484 1.00 0.00 N ATOM 1324 CA ALA A 85 -5.130 5.928 -6.569 1.00 0.00 C ATOM 1325 C ALA A 85 -3.777 5.317 -6.923 1.00 0.00 C ATOM 1326 O ALA A 85 -3.672 4.108 -7.126 1.00 0.00 O ATOM 1327 CB ALA A 85 -5.748 6.586 -7.793 1.00 0.00 C ATOM 0 H ALA A 85 -5.211 7.857 -5.752 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.786 5.126 -6.231 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.838 5.852 -8.594 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.736 6.970 -7.540 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.113 7.408 -8.124 1.00 0.00 H new ATOM 1333 N ASP A 86 -2.750 6.162 -6.996 1.00 0.00 N ATOM 1334 CA ASP A 86 -1.388 5.717 -7.298 1.00 0.00 C ATOM 1335 C ASP A 86 -0.932 4.663 -6.308 1.00 0.00 C ATOM 1336 O ASP A 86 -0.492 3.576 -6.690 1.00 0.00 O ATOM 1337 CB ASP A 86 -0.428 6.908 -7.245 1.00 0.00 C ATOM 1338 CG ASP A 86 1.016 6.522 -7.510 1.00 0.00 C ATOM 1339 OD1 ASP A 86 1.422 6.495 -8.693 1.00 0.00 O ATOM 1340 OD2 ASP A 86 1.760 6.264 -6.541 1.00 0.00 O ATOM 0 H ASP A 86 -2.836 7.168 -6.849 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.386 5.284 -8.298 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -0.740 7.651 -7.979 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.498 7.380 -6.265 1.00 0.00 H new ATOM 1345 N ALA A 87 -1.054 5.001 -5.037 1.00 0.00 N ATOM 1346 CA ALA A 87 -0.649 4.115 -3.959 1.00 0.00 C ATOM 1347 C ALA A 87 -1.404 2.788 -4.013 1.00 0.00 C ATOM 1348 O ALA A 87 -0.803 1.728 -3.865 1.00 0.00 O ATOM 1349 CB ALA A 87 -0.854 4.795 -2.616 1.00 0.00 C ATOM 0 H ALA A 87 -1.435 5.894 -4.723 1.00 0.00 H new ATOM 0 HA ALA A 87 0.411 3.895 -4.084 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.547 4.121 -1.816 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.255 5.705 -2.574 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.907 5.048 -2.493 1.00 0.00 H new ATOM 1355 N LEU A 88 -2.715 2.847 -4.240 1.00 0.00 N ATOM 1356 CA LEU A 88 -3.533 1.641 -4.328 1.00 0.00 C ATOM 1357 C LEU A 88 -3.135 0.794 -5.533 1.00 0.00 C ATOM 1358 O LEU A 88 -3.052 -0.434 -5.444 1.00 0.00 O ATOM 1359 CB LEU A 88 -5.017 2.002 -4.414 1.00 0.00 C ATOM 1360 CG LEU A 88 -5.612 2.647 -3.160 1.00 0.00 C ATOM 1361 CD1 LEU A 88 -7.054 3.056 -3.411 1.00 0.00 C ATOM 1362 CD2 LEU A 88 -5.525 1.691 -1.976 1.00 0.00 C ATOM 0 H LEU A 88 -3.232 3.717 -4.366 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.362 1.057 -3.423 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.159 2.682 -5.254 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.581 1.097 -4.638 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.035 3.541 -2.922 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.464 3.513 -2.511 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.091 3.773 -4.231 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.642 2.176 -3.671 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.953 2.166 -1.093 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.079 0.780 -2.202 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.481 1.443 -1.785 1.00 0.00 H new ATOM 1374 N LEU A 89 -2.896 1.454 -6.657 1.00 0.00 N ATOM 1375 CA LEU A 89 -2.459 0.780 -7.875 1.00 0.00 C ATOM 1376 C LEU A 89 -1.136 0.071 -7.618 1.00 0.00 C ATOM 1377 O LEU A 89 -0.991 -1.127 -7.873 1.00 0.00 O ATOM 1378 CB LEU A 89 -2.315 1.817 -9.009 1.00 0.00 C ATOM 1379 CG LEU A 89 -2.197 1.269 -10.440 1.00 0.00 C ATOM 1380 CD1 LEU A 89 -2.448 2.381 -11.446 1.00 0.00 C ATOM 1381 CD2 LEU A 89 -0.826 0.654 -10.691 1.00 0.00 C ATOM 0 H LEU A 89 -2.998 2.464 -6.752 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.197 0.036 -8.174 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.177 2.484 -8.971 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.433 2.424 -8.804 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.948 0.488 -10.559 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.362 1.983 -12.457 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.449 2.785 -11.299 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.712 3.173 -11.304 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.778 0.277 -11.712 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.056 1.412 -10.547 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.662 -0.167 -9.993 1.00 0.00 H new ATOM 1393 N ARG A 90 -0.187 0.822 -7.079 1.00 0.00 N ATOM 1394 CA ARG A 90 1.144 0.313 -6.801 1.00 0.00 C ATOM 1395 C ARG A 90 1.102 -0.818 -5.777 1.00 0.00 C ATOM 1396 O ARG A 90 1.779 -1.833 -5.936 1.00 0.00 O ATOM 1397 CB ARG A 90 2.018 1.458 -6.291 1.00 0.00 C ATOM 1398 CG ARG A 90 3.465 1.079 -6.048 1.00 0.00 C ATOM 1399 CD ARG A 90 4.264 2.277 -5.569 1.00 0.00 C ATOM 1400 NE ARG A 90 5.680 1.959 -5.392 1.00 0.00 N ATOM 1401 CZ ARG A 90 6.670 2.779 -5.739 1.00 0.00 C ATOM 1402 NH1 ARG A 90 6.402 3.953 -6.303 1.00 0.00 N ATOM 1403 NH2 ARG A 90 7.930 2.413 -5.539 1.00 0.00 N ATOM 0 H ARG A 90 -0.320 1.800 -6.823 1.00 0.00 H new ATOM 0 HA ARG A 90 1.565 -0.093 -7.721 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.985 2.274 -7.013 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.593 1.837 -5.362 1.00 0.00 H new ATOM 0 HG2 ARG A 90 3.517 0.282 -5.306 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.902 0.689 -6.967 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.163 3.090 -6.287 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.852 2.633 -4.625 1.00 0.00 H new ATOM 0 HE ARG A 90 5.923 1.058 -4.980 1.00 0.00 H new ATOM 0 HH11 ARG A 90 5.435 4.229 -6.472 1.00 0.00 H new ATOM 0 HH12 ARG A 90 7.164 4.578 -6.567 1.00 0.00 H new ATOM 0 HH21 ARG A 90 8.137 1.506 -5.121 1.00 0.00 H new ATOM 0 HH22 ARG A 90 8.691 3.039 -5.804 1.00 0.00 H new ATOM 1417 N LEU A 91 0.298 -0.638 -4.737 1.00 0.00 N ATOM 1418 CA LEU A 91 0.181 -1.623 -3.670 1.00 0.00 C ATOM 1419 C LEU A 91 -0.357 -2.940 -4.222 1.00 0.00 C ATOM 1420 O LEU A 91 0.202 -4.007 -3.968 1.00 0.00 O ATOM 1421 CB LEU A 91 -0.734 -1.081 -2.560 1.00 0.00 C ATOM 1422 CG LEU A 91 -0.572 -1.715 -1.172 1.00 0.00 C ATOM 1423 CD1 LEU A 91 -1.202 -0.825 -0.114 1.00 0.00 C ATOM 1424 CD2 LEU A 91 -1.198 -3.100 -1.120 1.00 0.00 C ATOM 0 H LEU A 91 -0.287 0.188 -4.610 1.00 0.00 H new ATOM 0 HA LEU A 91 1.168 -1.811 -3.247 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.561 -0.009 -2.468 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.769 -1.211 -2.876 1.00 0.00 H new ATOM 0 HG LEU A 91 0.495 -1.816 -0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.081 -1.285 0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.714 0.150 -0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.263 -0.701 -0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.066 -3.522 -0.124 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.262 -3.027 -1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.715 -3.745 -1.854 1.00 0.00 H new ATOM 1436 N SER A 92 -1.429 -2.848 -5.000 1.00 0.00 N ATOM 1437 CA SER A 92 -2.059 -4.026 -5.578 1.00 0.00 C ATOM 1438 C SER A 92 -1.103 -4.738 -6.532 1.00 0.00 C ATOM 1439 O SER A 92 -1.049 -5.970 -6.564 1.00 0.00 O ATOM 1440 CB SER A 92 -3.346 -3.637 -6.309 1.00 0.00 C ATOM 1441 OG SER A 92 -4.057 -4.780 -6.755 1.00 0.00 O ATOM 0 H SER A 92 -1.880 -1.967 -5.245 1.00 0.00 H new ATOM 0 HA SER A 92 -2.309 -4.711 -4.768 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.980 -3.050 -5.644 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.104 -3.003 -7.162 1.00 0.00 H new ATOM 0 HG SER A 92 -4.874 -4.498 -7.216 1.00 0.00 H new ATOM 1447 N GLU A 93 -0.351 -3.958 -7.298 1.00 0.00 N ATOM 1448 CA GLU A 93 0.614 -4.507 -8.238 1.00 0.00 C ATOM 1449 C GLU A 93 1.742 -5.192 -7.483 1.00 0.00 C ATOM 1450 O GLU A 93 2.174 -6.287 -7.841 1.00 0.00 O ATOM 1451 CB GLU A 93 1.179 -3.398 -9.122 1.00 0.00 C ATOM 1452 CG GLU A 93 2.071 -3.907 -10.238 1.00 0.00 C ATOM 1453 CD GLU A 93 2.492 -2.818 -11.203 1.00 0.00 C ATOM 1454 OE1 GLU A 93 3.458 -2.088 -10.901 1.00 0.00 O ATOM 1455 OE2 GLU A 93 1.867 -2.700 -12.278 1.00 0.00 O ATOM 0 H GLU A 93 -0.392 -2.939 -7.285 1.00 0.00 H new ATOM 0 HA GLU A 93 0.111 -5.239 -8.870 1.00 0.00 H new ATOM 0 HB2 GLU A 93 0.353 -2.835 -9.556 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.747 -2.704 -8.502 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.960 -4.364 -9.805 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.546 -4.689 -10.787 1.00 0.00 H new ATOM 1462 N LEU A 94 2.206 -4.528 -6.434 1.00 0.00 N ATOM 1463 CA LEU A 94 3.264 -5.049 -5.576 1.00 0.00 C ATOM 1464 C LEU A 94 2.882 -6.428 -5.033 1.00 0.00 C ATOM 1465 O LEU A 94 3.699 -7.347 -5.039 1.00 0.00 O ATOM 1466 CB LEU A 94 3.536 -4.054 -4.426 1.00 0.00 C ATOM 1467 CG LEU A 94 4.779 -4.318 -3.558 1.00 0.00 C ATOM 1468 CD1 LEU A 94 4.514 -5.402 -2.526 1.00 0.00 C ATOM 1469 CD2 LEU A 94 5.972 -4.687 -4.429 1.00 0.00 C ATOM 0 H LEU A 94 1.860 -3.611 -6.152 1.00 0.00 H new ATOM 0 HA LEU A 94 4.177 -5.164 -6.160 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.627 -3.056 -4.855 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.663 -4.042 -3.774 1.00 0.00 H new ATOM 0 HG LEU A 94 5.012 -3.398 -3.022 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.412 -5.564 -1.930 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.697 -5.092 -1.875 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.243 -6.328 -3.033 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.841 -4.870 -3.797 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.742 -5.587 -4.999 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.188 -3.868 -5.115 1.00 0.00 H new ATOM 1481 N ILE A 95 1.635 -6.567 -4.589 1.00 0.00 N ATOM 1482 CA ILE A 95 1.140 -7.835 -4.057 1.00 0.00 C ATOM 1483 C ILE A 95 1.271 -8.954 -5.090 1.00 0.00 C ATOM 1484 O ILE A 95 1.800 -10.026 -4.792 1.00 0.00 O ATOM 1485 CB ILE A 95 -0.331 -7.723 -3.599 1.00 0.00 C ATOM 1486 CG1 ILE A 95 -0.446 -6.750 -2.423 1.00 0.00 C ATOM 1487 CG2 ILE A 95 -0.878 -9.091 -3.214 1.00 0.00 C ATOM 1488 CD1 ILE A 95 -1.864 -6.551 -1.931 1.00 0.00 C ATOM 0 H ILE A 95 0.946 -5.814 -4.587 1.00 0.00 H new ATOM 0 HA ILE A 95 1.755 -8.078 -3.191 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.924 -7.339 -4.429 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.166 -7.116 -1.599 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.036 -5.785 -2.720 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -1.915 -8.991 -2.894 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.826 -9.759 -4.074 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.285 -9.504 -2.398 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.865 -5.849 -1.097 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.477 -6.154 -2.740 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.272 -7.506 -1.601 1.00 0.00 H new ATOM 1500 N VAL A 96 0.805 -8.691 -6.304 1.00 0.00 N ATOM 1501 CA VAL A 96 0.886 -9.674 -7.379 1.00 0.00 C ATOM 1502 C VAL A 96 2.341 -9.925 -7.762 1.00 0.00 C ATOM 1503 O VAL A 96 2.756 -11.065 -7.972 1.00 0.00 O ATOM 1504 CB VAL A 96 0.110 -9.206 -8.630 1.00 0.00 C ATOM 1505 CG1 VAL A 96 0.160 -10.263 -9.727 1.00 0.00 C ATOM 1506 CG2 VAL A 96 -1.328 -8.874 -8.270 1.00 0.00 C ATOM 0 H VAL A 96 0.368 -7.808 -6.570 1.00 0.00 H new ATOM 0 HA VAL A 96 0.436 -10.596 -7.011 1.00 0.00 H new ATOM 0 HB VAL A 96 0.588 -8.303 -9.010 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.393 -9.910 -10.597 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.197 -10.448 -10.007 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.288 -11.187 -9.362 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.860 -8.546 -9.163 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.815 -9.760 -7.862 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.342 -8.077 -7.526 1.00 0.00 H new ATOM 1516 N ASN A 97 3.111 -8.848 -7.820 1.00 0.00 N ATOM 1517 CA ASN A 97 4.510 -8.904 -8.227 1.00 0.00 C ATOM 1518 C ASN A 97 5.329 -9.740 -7.242 1.00 0.00 C ATOM 1519 O ASN A 97 6.249 -10.449 -7.638 1.00 0.00 O ATOM 1520 CB ASN A 97 5.073 -7.484 -8.313 1.00 0.00 C ATOM 1521 CG ASN A 97 6.145 -7.328 -9.373 1.00 0.00 C ATOM 1522 OD1 ASN A 97 6.908 -8.252 -9.663 1.00 0.00 O ATOM 1523 ND2 ASN A 97 6.198 -6.146 -9.968 1.00 0.00 N ATOM 0 H ASN A 97 2.785 -7.910 -7.587 1.00 0.00 H new ATOM 0 HA ASN A 97 4.573 -9.378 -9.206 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.259 -6.790 -8.524 1.00 0.00 H new ATOM 0 HB3 ASN A 97 5.487 -7.205 -7.344 1.00 0.00 H new ATOM 0 HD21 ASN A 97 6.890 -5.973 -10.697 1.00 0.00 H new ATOM 0 HD22 ASN A 97 5.547 -5.409 -9.697 1.00 0.00 H new ATOM 1530 N ALA A 98 4.966 -9.671 -5.964 1.00 0.00 N ATOM 1531 CA ALA A 98 5.658 -10.419 -4.914 1.00 0.00 C ATOM 1532 C ALA A 98 5.593 -11.923 -5.165 1.00 0.00 C ATOM 1533 O ALA A 98 6.516 -12.662 -4.827 1.00 0.00 O ATOM 1534 CB ALA A 98 5.062 -10.088 -3.557 1.00 0.00 C ATOM 0 H ALA A 98 4.191 -9.100 -5.627 1.00 0.00 H new ATOM 0 HA ALA A 98 6.707 -10.123 -4.927 1.00 0.00 H new ATOM 0 HB1 ALA A 98 5.585 -10.650 -2.783 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.168 -9.020 -3.364 1.00 0.00 H new ATOM 0 HB3 ALA A 98 4.005 -10.355 -3.549 1.00 0.00 H new ATOM 1540 N ALA A 99 4.501 -12.370 -5.771 1.00 0.00 N ATOM 1541 CA ALA A 99 4.327 -13.781 -6.084 1.00 0.00 C ATOM 1542 C ALA A 99 5.266 -14.210 -7.206 1.00 0.00 C ATOM 1543 O ALA A 99 5.529 -15.400 -7.390 1.00 0.00 O ATOM 1544 CB ALA A 99 2.880 -14.062 -6.460 1.00 0.00 C ATOM 0 H ALA A 99 3.723 -11.775 -6.055 1.00 0.00 H new ATOM 0 HA ALA A 99 4.576 -14.362 -5.196 1.00 0.00 H new ATOM 0 HB1 ALA A 99 2.763 -15.121 -6.692 1.00 0.00 H new ATOM 0 HB2 ALA A 99 2.230 -13.799 -5.626 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.609 -13.468 -7.332 1.00 0.00 H new ATOM 1550 N LYS A 100 5.767 -13.233 -7.950 1.00 0.00 N ATOM 1551 CA LYS A 100 6.700 -13.489 -9.040 1.00 0.00 C ATOM 1552 C LYS A 100 8.134 -13.325 -8.564 1.00 0.00 C ATOM 1553 O LYS A 100 9.066 -13.846 -9.170 1.00 0.00 O ATOM 1554 CB LYS A 100 6.454 -12.534 -10.218 1.00 0.00 C ATOM 1555 CG LYS A 100 5.250 -12.875 -11.089 1.00 0.00 C ATOM 1556 CD LYS A 100 3.932 -12.713 -10.352 1.00 0.00 C ATOM 1557 CE LYS A 100 2.747 -12.852 -11.294 1.00 0.00 C ATOM 1558 NZ LYS A 100 2.780 -14.137 -12.041 1.00 0.00 N ATOM 0 H LYS A 100 5.541 -12.247 -7.817 1.00 0.00 H new ATOM 0 HA LYS A 100 6.538 -14.514 -9.373 1.00 0.00 H new ATOM 0 HB2 LYS A 100 6.325 -11.525 -9.826 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.345 -12.520 -10.846 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.250 -12.234 -11.970 1.00 0.00 H new ATOM 0 HG3 LYS A 100 5.341 -13.902 -11.442 1.00 0.00 H new ATOM 0 HD2 LYS A 100 3.861 -13.461 -9.563 1.00 0.00 H new ATOM 0 HD3 LYS A 100 3.902 -11.736 -9.869 1.00 0.00 H new ATOM 0 HE2 LYS A 100 1.820 -12.787 -10.724 1.00 0.00 H new ATOM 0 HE3 LYS A 100 2.745 -12.022 -12.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 1.860 -14.296 -12.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 3.526 -14.099 -12.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 2.977 -14.917 -11.382 1.00 0.00 H new ATOM 1572 N LEU A 101 8.300 -12.592 -7.475 1.00 0.00 N ATOM 1573 CA LEU A 101 9.617 -12.231 -6.987 1.00 0.00 C ATOM 1574 C LEU A 101 10.236 -13.340 -6.142 1.00 0.00 C ATOM 1575 O LEU A 101 9.789 -13.621 -5.024 1.00 0.00 O ATOM 1576 CB LEU A 101 9.542 -10.928 -6.194 1.00 0.00 C ATOM 1577 CG LEU A 101 9.231 -9.681 -7.027 1.00 0.00 C ATOM 1578 CD1 LEU A 101 9.150 -8.448 -6.138 1.00 0.00 C ATOM 1579 CD2 LEU A 101 10.280 -9.484 -8.114 1.00 0.00 C ATOM 0 H LEU A 101 7.530 -12.234 -6.909 1.00 0.00 H new ATOM 0 HA LEU A 101 10.265 -12.087 -7.852 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.778 -11.032 -5.424 1.00 0.00 H new ATOM 0 HB3 LEU A 101 10.492 -10.777 -5.682 1.00 0.00 H new ATOM 0 HG LEU A 101 8.262 -9.826 -7.506 1.00 0.00 H new ATOM 0 HD11 LEU A 101 8.928 -7.573 -6.749 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.361 -8.584 -5.399 1.00 0.00 H new ATOM 0 HD13 LEU A 101 10.103 -8.303 -5.629 1.00 0.00 H new ATOM 0 HD21 LEU A 101 10.040 -8.593 -8.694 1.00 0.00 H new ATOM 0 HD22 LEU A 101 11.262 -9.365 -7.655 1.00 0.00 H new ATOM 0 HD23 LEU A 101 10.290 -10.353 -8.772 1.00 0.00 H new ATOM 1591 N GLU A 102 11.260 -13.967 -6.701 1.00 0.00 N ATOM 1592 CA GLU A 102 12.024 -14.981 -5.995 1.00 0.00 C ATOM 1593 C GLU A 102 13.035 -14.334 -5.057 1.00 0.00 C ATOM 1594 O GLU A 102 14.109 -13.896 -5.478 1.00 0.00 O ATOM 1595 CB GLU A 102 12.742 -15.903 -6.980 1.00 0.00 C ATOM 1596 CG GLU A 102 11.851 -16.975 -7.585 1.00 0.00 C ATOM 1597 CD GLU A 102 11.397 -17.981 -6.550 1.00 0.00 C ATOM 1598 OE1 GLU A 102 12.267 -18.662 -5.962 1.00 0.00 O ATOM 1599 OE2 GLU A 102 10.179 -18.092 -6.309 1.00 0.00 O ATOM 0 H GLU A 102 11.583 -13.788 -7.652 1.00 0.00 H new ATOM 0 HA GLU A 102 11.327 -15.577 -5.405 1.00 0.00 H new ATOM 0 HB2 GLU A 102 13.165 -15.300 -7.784 1.00 0.00 H new ATOM 0 HB3 GLU A 102 13.576 -16.384 -6.469 1.00 0.00 H new ATOM 0 HG2 GLU A 102 10.980 -16.507 -8.043 1.00 0.00 H new ATOM 0 HG3 GLU A 102 12.391 -17.490 -8.380 1.00 0.00 H new ATOM 1606 N HIS A 103 12.663 -14.258 -3.792 1.00 0.00 N ATOM 1607 CA HIS A 103 13.546 -13.741 -2.755 1.00 0.00 C ATOM 1608 C HIS A 103 14.721 -14.689 -2.552 1.00 0.00 C ATOM 1609 O HIS A 103 14.565 -15.778 -1.998 1.00 0.00 O ATOM 1610 CB HIS A 103 12.756 -13.569 -1.455 1.00 0.00 C ATOM 1611 CG HIS A 103 13.577 -13.172 -0.260 1.00 0.00 C ATOM 1612 ND1 HIS A 103 14.131 -11.917 -0.096 1.00 0.00 N ATOM 1613 CD2 HIS A 103 13.918 -13.877 0.847 1.00 0.00 C ATOM 1614 CE1 HIS A 103 14.772 -11.873 1.058 1.00 0.00 C ATOM 1615 NE2 HIS A 103 14.658 -13.048 1.648 1.00 0.00 N ATOM 0 H HIS A 103 11.746 -14.550 -3.453 1.00 0.00 H new ATOM 0 HA HIS A 103 13.940 -12.771 -3.059 1.00 0.00 H new ATOM 0 HB2 HIS A 103 11.985 -12.815 -1.613 1.00 0.00 H new ATOM 0 HB3 HIS A 103 12.245 -14.506 -1.231 1.00 0.00 H new ATOM 0 HD1 HIS A 103 14.057 -11.147 -0.761 1.00 0.00 H new ATOM 0 HD2 HIS A 103 13.655 -14.903 1.058 1.00 0.00 H new ATOM 0 HE1 HIS A 103 15.301 -11.018 1.453 1.00 0.00 H new ATOM 0 HE2 HIS A 103 15.056 -13.298 2.553 1.00 0.00 H new ATOM 1624 N HIS A 104 15.896 -14.280 -3.007 1.00 0.00 N ATOM 1625 CA HIS A 104 17.073 -15.124 -2.919 1.00 0.00 C ATOM 1626 C HIS A 104 17.736 -14.983 -1.556 1.00 0.00 C ATOM 1627 O HIS A 104 18.673 -14.202 -1.374 1.00 0.00 O ATOM 1628 CB HIS A 104 18.068 -14.805 -4.041 1.00 0.00 C ATOM 1629 CG HIS A 104 19.244 -15.736 -4.076 1.00 0.00 C ATOM 1630 ND1 HIS A 104 20.547 -15.313 -3.941 1.00 0.00 N ATOM 1631 CD2 HIS A 104 19.301 -17.079 -4.231 1.00 0.00 C ATOM 1632 CE1 HIS A 104 21.355 -16.356 -4.010 1.00 0.00 C ATOM 1633 NE2 HIS A 104 20.622 -17.440 -4.185 1.00 0.00 N ATOM 0 H HIS A 104 16.057 -13.370 -3.440 1.00 0.00 H new ATOM 0 HA HIS A 104 16.752 -16.159 -3.040 1.00 0.00 H new ATOM 0 HB2 HIS A 104 17.550 -14.849 -4.999 1.00 0.00 H new ATOM 0 HB3 HIS A 104 18.426 -13.783 -3.919 1.00 0.00 H new ATOM 0 HD2 HIS A 104 18.461 -17.744 -4.366 1.00 0.00 H new ATOM 0 HE1 HIS A 104 22.432 -16.327 -3.936 1.00 0.00 H new ATOM 0 HE2 HIS A 104 20.981 -18.391 -4.272 1.00 0.00 H new ATOM 1642 N HIS A 105 17.200 -15.721 -0.598 1.00 0.00 N ATOM 1643 CA HIS A 105 17.763 -15.815 0.740 1.00 0.00 C ATOM 1644 C HIS A 105 16.936 -16.819 1.520 1.00 0.00 C ATOM 1645 O HIS A 105 15.709 -16.746 1.516 1.00 0.00 O ATOM 1646 CB HIS A 105 17.767 -14.454 1.447 1.00 0.00 C ATOM 1647 CG HIS A 105 18.567 -14.441 2.711 1.00 0.00 C ATOM 1648 ND1 HIS A 105 18.010 -14.251 3.954 1.00 0.00 N ATOM 1649 CD2 HIS A 105 19.896 -14.595 2.919 1.00 0.00 C ATOM 1650 CE1 HIS A 105 18.957 -14.285 4.870 1.00 0.00 C ATOM 1651 NE2 HIS A 105 20.109 -14.494 4.270 1.00 0.00 N ATOM 0 H HIS A 105 16.355 -16.277 -0.728 1.00 0.00 H new ATOM 0 HA HIS A 105 18.802 -16.139 0.678 1.00 0.00 H new ATOM 0 HB2 HIS A 105 18.165 -13.701 0.767 1.00 0.00 H new ATOM 0 HB3 HIS A 105 16.740 -14.168 1.673 1.00 0.00 H new ATOM 0 HD2 HIS A 105 20.648 -14.765 2.163 1.00 0.00 H new ATOM 0 HE1 HIS A 105 18.812 -14.162 5.933 1.00 0.00 H new ATOM 0 HE2 HIS A 105 21.014 -14.569 4.734 1.00 0.00 H new ATOM 1660 N HIS A 106 17.598 -17.762 2.164 1.00 0.00 N ATOM 1661 CA HIS A 106 16.898 -18.859 2.808 1.00 0.00 C ATOM 1662 C HIS A 106 16.255 -18.409 4.109 1.00 0.00 C ATOM 1663 O HIS A 106 16.817 -17.596 4.844 1.00 0.00 O ATOM 1664 CB HIS A 106 17.848 -20.035 3.053 1.00 0.00 C ATOM 1665 CG HIS A 106 18.451 -20.573 1.791 1.00 0.00 C ATOM 1666 ND1 HIS A 106 19.783 -20.896 1.666 1.00 0.00 N ATOM 1667 CD2 HIS A 106 17.890 -20.834 0.587 1.00 0.00 C ATOM 1668 CE1 HIS A 106 20.014 -21.325 0.441 1.00 0.00 C ATOM 1669 NE2 HIS A 106 18.882 -21.298 -0.239 1.00 0.00 N ATOM 0 H HIS A 106 18.613 -17.791 2.255 1.00 0.00 H new ATOM 0 HA HIS A 106 16.104 -19.191 2.139 1.00 0.00 H new ATOM 0 HB2 HIS A 106 18.646 -19.717 3.724 1.00 0.00 H new ATOM 0 HB3 HIS A 106 17.306 -20.834 3.559 1.00 0.00 H new ATOM 0 HD2 HIS A 106 16.851 -20.701 0.325 1.00 0.00 H new ATOM 0 HE1 HIS A 106 20.971 -21.646 0.057 1.00 0.00 H new ATOM 0 HE2 HIS A 106 18.765 -21.575 -1.214 1.00 0.00 H new ATOM 1678 N HIS A 107 15.072 -18.957 4.369 1.00 0.00 N ATOM 1679 CA HIS A 107 14.276 -18.637 5.555 1.00 0.00 C ATOM 1680 C HIS A 107 13.729 -17.212 5.496 1.00 0.00 C ATOM 1681 O HIS A 107 12.563 -17.009 5.166 1.00 0.00 O ATOM 1682 CB HIS A 107 15.072 -18.867 6.846 1.00 0.00 C ATOM 1683 CG HIS A 107 15.427 -20.304 7.066 1.00 0.00 C ATOM 1684 ND1 HIS A 107 14.526 -21.230 7.540 1.00 0.00 N ATOM 1685 CD2 HIS A 107 16.579 -20.981 6.847 1.00 0.00 C ATOM 1686 CE1 HIS A 107 15.105 -22.414 7.603 1.00 0.00 C ATOM 1687 NE2 HIS A 107 16.351 -22.292 7.187 1.00 0.00 N ATOM 0 H HIS A 107 14.632 -19.644 3.757 1.00 0.00 H new ATOM 0 HA HIS A 107 13.425 -19.318 5.564 1.00 0.00 H new ATOM 0 HB2 HIS A 107 15.986 -18.274 6.813 1.00 0.00 H new ATOM 0 HB3 HIS A 107 14.489 -18.508 7.694 1.00 0.00 H new ATOM 0 HD2 HIS A 107 17.504 -20.567 6.474 1.00 0.00 H new ATOM 0 HE1 HIS A 107 14.638 -23.328 7.938 1.00 0.00 H new ATOM 0 HE2 HIS A 107 17.033 -23.048 7.128 1.00 0.00 H new ATOM 1696 N HIS A 108 14.565 -16.232 5.807 1.00 0.00 N ATOM 1697 CA HIS A 108 14.140 -14.833 5.808 1.00 0.00 C ATOM 1698 C HIS A 108 15.267 -13.940 5.315 1.00 0.00 C ATOM 1699 O HIS A 108 15.323 -13.653 4.102 1.00 0.00 O ATOM 1700 CB HIS A 108 13.703 -14.385 7.211 1.00 0.00 C ATOM 1701 CG HIS A 108 12.396 -14.970 7.657 1.00 0.00 C ATOM 1702 ND1 HIS A 108 11.185 -14.349 7.449 1.00 0.00 N ATOM 1703 CD2 HIS A 108 12.114 -16.135 8.289 1.00 0.00 C ATOM 1704 CE1 HIS A 108 10.217 -15.106 7.931 1.00 0.00 C ATOM 1705 NE2 HIS A 108 10.751 -16.199 8.444 1.00 0.00 N ATOM 1706 OXT HIS A 108 16.124 -13.567 6.130 1.00 0.00 O ATOM 0 H HIS A 108 15.542 -16.376 6.062 1.00 0.00 H new ATOM 0 HA HIS A 108 13.286 -14.744 5.136 1.00 0.00 H new ATOM 0 HB2 HIS A 108 14.477 -14.662 7.927 1.00 0.00 H new ATOM 0 HB3 HIS A 108 13.627 -13.298 7.227 1.00 0.00 H new ATOM 0 HD2 HIS A 108 12.830 -16.877 8.612 1.00 0.00 H new ATOM 0 HE1 HIS A 108 9.163 -14.870 7.909 1.00 0.00 H new ATOM 0 HE2 HIS A 108 10.237 -16.963 8.882 1.00 0.00 H new TER 1715 HIS A 108