USER MOD reduce.3.24.130724 H: found=0, std=0, add=1018, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1016 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 122 TYR OH : rot 180:sc= 0.0024 USER MOD Set 1.2: A 125 HIS : no HD1:sc= -4.09! C(o=-4.4!,f=-10!) USER MOD Set 1.3: A 126 GLN :FLIP amide:sc= -0.354 F(o=-6.9,f=-4.4) USER MOD Set 2.1: A 69 CYS SG : rot -76:sc= -7.91! USER MOD Set 2.2: A 107 ASN : amide:sc= -2.99! C(o=-11!,f=-28!) USER MOD Set 3.1: A 47 GLN : amide:sc= -1.2 K(o=-1.6,f=-2.1!) USER MOD Set 3.2: A 100 MET CE :methyl -157:sc= -0.358 (180deg=-2.2!) USER MOD Set 4.1: A 55 THR OG1 : rot 180:sc= 0.0164 USER MOD Set 4.2: A 56 GLN : amide:sc= -3.41! C(o=-3.4!,f=-8!) USER MOD Set 5.1: A 52 ASN : amide:sc= -1.37 K(o=-3.6,f=-12!) USER MOD Set 5.2: A 54 THR OG1 : rot 9:sc= -1.02 USER MOD Set 5.3: A 59 MET CE :methyl 165:sc= -1.18 (180deg=-0.0231) USER MOD Single : A 1 MET CE :methyl -153:sc= -0.253 (180deg=-1.48!) USER MOD Single : A 1 MET N :NH3+ -131:sc= 0.0966 (180deg=-0.327) USER MOD Single : A 3 CYS SG : rot 12:sc= 0.779 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -1.33 K(o=-1.3,f=-5!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 15:sc= 0.425 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot -30:sc= -0.382 USER MOD Single : A 16 ASN :FLIP amide:sc= -2.67 F(o=-5.9!,f=-2.7) USER MOD Single : A 20 THR OG1 : rot 5:sc= 0.941 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.441 USER MOD Single : A 28 LYS NZ :NH3+ -162:sc= -1.22 (180deg=-2.29) USER MOD Single : A 32 LYS NZ :NH3+ 154:sc= -0.208 (180deg=-1.2) USER MOD Single : A 34 ASN : amide:sc=-0.000929 K(o=-0.00093,f=-1.1) USER MOD Single : A 42 ASN : amide:sc= -1.81 K(o=-1.8,f=-4.9!) USER MOD Single : A 43 LYS NZ :NH3+ -167:sc=-0.00468 (180deg=-0.191) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.187) USER MOD Single : A 46 LYS NZ :NH3+ 153:sc= -0.328 (180deg=-1.72!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 158:sc= -0.841 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= -4.96 K(o=-5,f=-9.5!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.443 X(o=-0.44,f=-0.34) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -157:sc= -1.62 (180deg=-2.27) USER MOD Single : A 77 THR OG1 : rot 89:sc= 0.246 USER MOD Single : A 78 LYS NZ :NH3+ -156:sc= -0.192 (180deg=-1.08) USER MOD Single : A 81 GLN : amide:sc= -1.27 K(o=-1.3,f=-2.8!) USER MOD Single : A 82 GLN :FLIP amide:sc= -0.741 F(o=-1.7!,f=-0.74) USER MOD Single : A 84 ASN :FLIP amide:sc= -3.06 F(o=-11!,f=-3.1) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 CYS SG : rot -38:sc= -0.0542 USER MOD Single : A 98 THR OG1 : rot -150:sc= -0.865 USER MOD Single : A 110 LYS NZ :NH3+ 158:sc= -1.19 (180deg=-2.02) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -158:sc= -1.43 (180deg=-2.08) USER MOD Single : A 113 MET CE :methyl -162:sc= -0.111 (180deg=-0.792) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 124 GLN : amide:sc=-0.000117 K(o=-0.00012,f=-1.5!) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ -163:sc= -0.0462 (180deg=-0.416) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.791 -14.661 24.737 1.00 0.00 N ATOM 2 CA MET A 1 -13.545 -15.469 24.607 1.00 0.00 C ATOM 3 C MET A 1 -12.631 -14.824 23.570 1.00 0.00 C ATOM 4 O MET A 1 -12.855 -13.690 23.149 1.00 0.00 O ATOM 5 CB MET A 1 -13.906 -16.891 24.173 1.00 0.00 C ATOM 6 CG MET A 1 -14.736 -17.564 25.267 1.00 0.00 C ATOM 7 SD MET A 1 -14.980 -19.308 24.852 1.00 0.00 S ATOM 8 CE MET A 1 -15.871 -19.050 23.299 1.00 0.00 C ATOM 0 H1 MET A 1 -14.983 -14.479 25.743 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.672 -13.756 24.238 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.588 -15.183 24.321 1.00 0.00 H new ATOM 0 HA MET A 1 -13.028 -15.508 25.566 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.468 -16.866 23.239 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.999 -17.466 23.984 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.230 -17.475 26.228 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.700 -17.064 25.366 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.522 -19.903 23.107 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.472 -18.144 23.371 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.156 -18.948 22.482 1.00 0.00 H new ATOM 18 N GLY A 2 -11.599 -15.556 23.161 1.00 0.00 N ATOM 19 CA GLY A 2 -10.656 -15.046 22.173 1.00 0.00 C ATOM 20 C GLY A 2 -11.188 -15.247 20.758 1.00 0.00 C ATOM 21 O GLY A 2 -12.308 -15.720 20.567 1.00 0.00 O ATOM 0 H GLY A 2 -11.396 -16.498 23.496 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -10.475 -13.986 22.351 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -9.698 -15.555 22.282 1.00 0.00 H new ATOM 25 N CYS A 3 -10.376 -14.888 19.770 1.00 0.00 N ATOM 26 CA CYS A 3 -10.774 -15.035 18.375 1.00 0.00 C ATOM 27 C CYS A 3 -9.559 -15.317 17.497 1.00 0.00 C ATOM 28 O CYS A 3 -8.422 -15.077 17.900 1.00 0.00 O ATOM 29 CB CYS A 3 -11.469 -13.760 17.893 1.00 0.00 C ATOM 30 SG CYS A 3 -13.136 -13.681 18.595 1.00 0.00 S ATOM 0 H CYS A 3 -9.445 -14.496 19.907 1.00 0.00 H new ATOM 0 HA CYS A 3 -11.464 -15.875 18.301 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -10.894 -12.884 18.193 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -11.520 -13.750 16.804 1.00 0.00 H new ATOM 0 HG CYS A 3 -13.259 -14.582 19.524 1.00 0.00 H new ATOM 36 N GLY A 4 -9.809 -15.828 16.296 1.00 0.00 N ATOM 37 CA GLY A 4 -8.728 -16.138 15.368 1.00 0.00 C ATOM 38 C GLY A 4 -7.883 -14.901 15.083 1.00 0.00 C ATOM 39 O GLY A 4 -8.346 -13.955 14.447 1.00 0.00 O ATOM 0 H GLY A 4 -10.744 -16.035 15.944 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.099 -16.924 15.786 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.143 -16.523 14.436 1.00 0.00 H new ATOM 43 N ALA A 5 -6.641 -14.917 15.556 1.00 0.00 N ATOM 44 CA ALA A 5 -5.740 -13.789 15.346 1.00 0.00 C ATOM 45 C ALA A 5 -5.322 -13.703 13.881 1.00 0.00 C ATOM 46 O ALA A 5 -5.234 -14.718 13.190 1.00 0.00 O ATOM 47 CB ALA A 5 -4.499 -13.941 16.226 1.00 0.00 C ATOM 0 H ALA A 5 -6.238 -15.692 16.083 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.265 -12.873 15.616 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -3.832 -13.095 16.063 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.798 -13.971 17.274 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.982 -14.866 15.969 1.00 0.00 H new ATOM 53 N SER A 6 -5.064 -12.485 13.415 1.00 0.00 N ATOM 54 CA SER A 6 -4.656 -12.279 12.030 1.00 0.00 C ATOM 55 C SER A 6 -3.179 -12.612 11.852 1.00 0.00 C ATOM 56 O SER A 6 -2.640 -12.523 10.749 1.00 0.00 O ATOM 57 CB SER A 6 -4.905 -10.827 11.624 1.00 0.00 C ATOM 58 OG SER A 6 -3.918 -9.996 12.220 1.00 0.00 O ATOM 0 H SER A 6 -5.129 -11.632 13.971 1.00 0.00 H new ATOM 0 HA SER A 6 -5.245 -12.940 11.395 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.871 -10.730 10.539 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.900 -10.514 11.941 1.00 0.00 H new ATOM 0 HG SER A 6 -4.074 -9.064 11.960 1.00 0.00 H new ATOM 64 N SER A 7 -2.528 -12.999 12.945 1.00 0.00 N ATOM 65 CA SER A 7 -1.112 -13.344 12.898 1.00 0.00 C ATOM 66 C SER A 7 -0.881 -14.531 11.969 1.00 0.00 C ATOM 67 O SER A 7 0.249 -14.803 11.564 1.00 0.00 O ATOM 68 CB SER A 7 -0.611 -13.686 14.301 1.00 0.00 C ATOM 69 OG SER A 7 -1.216 -14.899 14.733 1.00 0.00 O ATOM 0 H SER A 7 -2.955 -13.081 13.868 1.00 0.00 H new ATOM 0 HA SER A 7 -0.560 -12.485 12.516 1.00 0.00 H new ATOM 0 HB2 SER A 7 0.474 -13.789 14.297 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.853 -12.879 14.993 1.00 0.00 H new ATOM 0 HG SER A 7 -0.896 -15.122 15.632 1.00 0.00 H new ATOM 75 N GLU A 8 -1.958 -15.236 11.637 1.00 0.00 N ATOM 76 CA GLU A 8 -1.859 -16.393 10.755 1.00 0.00 C ATOM 77 C GLU A 8 -1.246 -15.996 9.416 1.00 0.00 C ATOM 78 O GLU A 8 -0.550 -16.789 8.781 1.00 0.00 O ATOM 79 CB GLU A 8 -3.248 -16.993 10.525 1.00 0.00 C ATOM 80 CG GLU A 8 -3.797 -17.532 11.847 1.00 0.00 C ATOM 81 CD GLU A 8 -5.156 -18.184 11.620 1.00 0.00 C ATOM 82 OE1 GLU A 8 -5.676 -18.058 10.524 1.00 0.00 O ATOM 83 OE2 GLU A 8 -5.658 -18.801 12.545 1.00 0.00 O ATOM 0 H GLU A 8 -2.902 -15.029 11.962 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.216 -17.135 11.229 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.920 -16.236 10.122 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.192 -17.795 9.789 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.102 -18.258 12.270 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.890 -16.721 12.569 1.00 0.00 H new ATOM 90 N ASN A 9 -1.508 -14.764 8.993 1.00 0.00 N ATOM 91 CA ASN A 9 -0.978 -14.272 7.726 1.00 0.00 C ATOM 92 C ASN A 9 -0.460 -12.846 7.879 1.00 0.00 C ATOM 93 O ASN A 9 -0.884 -12.114 8.772 1.00 0.00 O ATOM 94 CB ASN A 9 -2.068 -14.309 6.653 1.00 0.00 C ATOM 95 CG ASN A 9 -3.136 -13.266 6.961 1.00 0.00 C ATOM 96 OD1 ASN A 9 -3.192 -12.743 8.073 1.00 0.00 O ATOM 97 ND2 ASN A 9 -3.993 -12.931 6.035 1.00 0.00 N ATOM 0 H ASN A 9 -2.080 -14.092 9.504 1.00 0.00 H new ATOM 0 HA ASN A 9 -0.152 -14.916 7.426 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -1.632 -14.117 5.673 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -2.517 -15.301 6.613 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -4.711 -12.234 6.233 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -3.944 -13.366 5.114 1.00 0.00 H new ATOM 104 N SER A 10 0.460 -12.459 7.001 1.00 0.00 N ATOM 105 CA SER A 10 1.029 -11.117 7.048 1.00 0.00 C ATOM 106 C SER A 10 1.922 -10.870 5.837 1.00 0.00 C ATOM 107 O SER A 10 2.624 -9.861 5.765 1.00 0.00 O ATOM 108 CB SER A 10 1.844 -10.940 8.329 1.00 0.00 C ATOM 109 OG SER A 10 2.904 -11.888 8.345 1.00 0.00 O ATOM 0 H SER A 10 0.825 -13.050 6.254 1.00 0.00 H new ATOM 0 HA SER A 10 0.211 -10.396 7.035 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.245 -9.928 8.382 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.206 -11.076 9.202 1.00 0.00 H new ATOM 0 HG SER A 10 3.430 -11.777 9.164 1.00 0.00 H new ATOM 115 N SER A 11 1.889 -11.797 4.885 1.00 0.00 N ATOM 116 CA SER A 11 2.699 -11.670 3.680 1.00 0.00 C ATOM 117 C SER A 11 2.340 -10.394 2.925 1.00 0.00 C ATOM 118 O SER A 11 1.743 -9.477 3.487 1.00 0.00 O ATOM 119 CB SER A 11 2.479 -12.881 2.772 1.00 0.00 C ATOM 120 OG SER A 11 3.536 -12.954 1.823 1.00 0.00 O ATOM 0 H SER A 11 1.314 -12.639 4.924 1.00 0.00 H new ATOM 0 HA SER A 11 3.748 -11.622 3.974 1.00 0.00 H new ATOM 0 HB2 SER A 11 2.444 -13.794 3.366 1.00 0.00 H new ATOM 0 HB3 SER A 11 1.520 -12.797 2.260 1.00 0.00 H new ATOM 0 HG SER A 11 4.272 -12.373 2.108 1.00 0.00 H new ATOM 126 N VAL A 12 2.708 -10.343 1.649 1.00 0.00 N ATOM 127 CA VAL A 12 2.417 -9.174 0.826 1.00 0.00 C ATOM 128 C VAL A 12 1.983 -9.599 -0.574 1.00 0.00 C ATOM 129 O VAL A 12 2.590 -10.482 -1.179 1.00 0.00 O ATOM 130 CB VAL A 12 3.655 -8.283 0.730 1.00 0.00 C ATOM 131 CG1 VAL A 12 3.257 -6.912 0.179 1.00 0.00 C ATOM 132 CG2 VAL A 12 4.269 -8.112 2.121 1.00 0.00 C ATOM 0 H VAL A 12 3.204 -11.091 1.165 1.00 0.00 H new ATOM 0 HA VAL A 12 1.604 -8.617 1.292 1.00 0.00 H new ATOM 0 HB VAL A 12 4.383 -8.745 0.064 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.140 -6.277 0.111 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.818 -7.031 -0.812 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.528 -6.450 0.845 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.152 -7.477 2.053 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.540 -7.650 2.786 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.553 -9.087 2.516 1.00 0.00 H new ATOM 142 N THR A 13 0.930 -8.966 -1.079 1.00 0.00 N ATOM 143 CA THR A 13 0.424 -9.289 -2.409 1.00 0.00 C ATOM 144 C THR A 13 0.316 -8.030 -3.262 1.00 0.00 C ATOM 145 O THR A 13 -0.231 -7.016 -2.827 1.00 0.00 O ATOM 146 CB THR A 13 -0.951 -9.951 -2.297 1.00 0.00 C ATOM 147 OG1 THR A 13 -0.959 -10.837 -1.187 1.00 0.00 O ATOM 148 CG2 THR A 13 -1.249 -10.731 -3.578 1.00 0.00 C ATOM 0 H THR A 13 0.414 -8.233 -0.593 1.00 0.00 H new ATOM 0 HA THR A 13 1.122 -9.978 -2.885 1.00 0.00 H new ATOM 0 HB THR A 13 -1.713 -9.185 -2.156 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.840 -11.261 -1.113 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.229 -11.202 -3.497 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.243 -10.050 -4.429 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.488 -11.498 -3.722 1.00 0.00 H new ATOM 156 N TYR A 14 0.839 -8.103 -4.482 1.00 0.00 N ATOM 157 CA TYR A 14 0.792 -6.966 -5.393 1.00 0.00 C ATOM 158 C TYR A 14 -0.246 -7.200 -6.486 1.00 0.00 C ATOM 159 O TYR A 14 -0.750 -8.311 -6.646 1.00 0.00 O ATOM 160 CB TYR A 14 2.166 -6.748 -6.030 1.00 0.00 C ATOM 161 CG TYR A 14 3.187 -6.481 -4.950 1.00 0.00 C ATOM 162 CD1 TYR A 14 3.152 -5.278 -4.236 1.00 0.00 C ATOM 163 CD2 TYR A 14 4.167 -7.438 -4.662 1.00 0.00 C ATOM 164 CE1 TYR A 14 4.098 -5.031 -3.235 1.00 0.00 C ATOM 165 CE2 TYR A 14 5.113 -7.191 -3.659 1.00 0.00 C ATOM 166 CZ TYR A 14 5.079 -5.987 -2.946 1.00 0.00 C ATOM 167 OH TYR A 14 6.011 -5.743 -1.958 1.00 0.00 O ATOM 0 H TYR A 14 1.297 -8.932 -4.860 1.00 0.00 H new ATOM 0 HA TYR A 14 0.512 -6.080 -4.824 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.454 -7.626 -6.608 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.127 -5.908 -6.724 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.395 -4.540 -4.458 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.194 -8.367 -5.213 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.071 -4.102 -2.685 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.869 -7.930 -3.436 1.00 0.00 H new ATOM 0 HH TYR A 14 6.178 -4.779 -1.896 1.00 0.00 H new ATOM 177 N VAL A 15 -0.561 -6.148 -7.234 1.00 0.00 N ATOM 178 CA VAL A 15 -1.554 -6.250 -8.297 1.00 0.00 C ATOM 179 C VAL A 15 -1.107 -5.466 -9.526 1.00 0.00 C ATOM 180 O VAL A 15 -0.940 -6.031 -10.607 1.00 0.00 O ATOM 181 CB VAL A 15 -2.900 -5.712 -7.809 1.00 0.00 C ATOM 182 CG1 VAL A 15 -2.668 -4.682 -6.703 1.00 0.00 C ATOM 183 CG2 VAL A 15 -3.636 -5.049 -8.975 1.00 0.00 C ATOM 0 H VAL A 15 -0.147 -5.222 -7.125 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.660 -7.300 -8.569 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.500 -6.534 -7.419 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.627 -4.299 -6.356 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.143 -5.153 -5.872 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.068 -3.859 -7.092 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.596 -4.665 -8.628 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.035 -4.227 -9.364 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.802 -5.782 -9.764 1.00 0.00 H new ATOM 193 N ASN A 16 -0.915 -4.163 -9.353 1.00 0.00 N ATOM 194 CA ASN A 16 -0.504 -3.308 -10.461 1.00 0.00 C ATOM 195 C ASN A 16 0.875 -3.712 -10.970 1.00 0.00 C ATOM 196 O ASN A 16 1.195 -3.523 -12.144 1.00 0.00 O ATOM 197 CB ASN A 16 -0.476 -1.846 -10.009 1.00 0.00 C ATOM 198 CG ASN A 16 -1.890 -1.369 -9.701 1.00 0.00 C ATOM 199 OD1 ASN A 16 -2.154 -0.849 -8.533 1.00 0.00 O flip ATOM 200 ND2 ASN A 16 -2.779 -1.473 -10.547 1.00 0.00 N flip ATOM 0 H ASN A 16 -1.036 -3.678 -8.464 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.224 -3.425 -11.271 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.152 -1.742 -9.125 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.035 -1.224 -10.788 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.570 -1.880 -11.459 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -3.724 -1.152 -10.336 1.00 0.00 H new ATOM 207 N GLY A 17 1.690 -4.269 -10.080 1.00 0.00 N ATOM 208 CA GLY A 17 3.034 -4.696 -10.452 1.00 0.00 C ATOM 209 C GLY A 17 3.862 -5.029 -9.215 1.00 0.00 C ATOM 210 O GLY A 17 3.530 -4.616 -8.104 1.00 0.00 O ATOM 0 H GLY A 17 1.446 -4.434 -9.104 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.976 -5.570 -11.101 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.526 -3.908 -11.022 1.00 0.00 H new ATOM 214 N ARG A 18 4.942 -5.778 -9.416 1.00 0.00 N ATOM 215 CA ARG A 18 5.810 -6.161 -8.309 1.00 0.00 C ATOM 216 C ARG A 18 6.948 -5.157 -8.151 1.00 0.00 C ATOM 217 O ARG A 18 7.398 -4.553 -9.125 1.00 0.00 O ATOM 218 CB ARG A 18 6.388 -7.555 -8.557 1.00 0.00 C ATOM 219 CG ARG A 18 5.379 -8.393 -9.344 1.00 0.00 C ATOM 220 CD ARG A 18 4.068 -8.484 -8.562 1.00 0.00 C ATOM 221 NE ARG A 18 3.248 -9.576 -9.074 1.00 0.00 N ATOM 222 CZ ARG A 18 3.511 -10.840 -8.757 1.00 0.00 C ATOM 223 NH1 ARG A 18 4.515 -11.120 -7.973 1.00 0.00 N ATOM 224 NH2 ARG A 18 2.763 -11.800 -9.228 1.00 0.00 N ATOM 0 H ARG A 18 5.235 -6.129 -10.328 1.00 0.00 H new ATOM 0 HA ARG A 18 5.219 -6.171 -7.393 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.324 -7.479 -9.110 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.617 -8.039 -7.608 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.201 -7.944 -10.321 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.779 -9.391 -9.520 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.278 -8.643 -7.504 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.523 -7.543 -8.641 1.00 0.00 H new ATOM 0 HE ARG A 18 2.459 -9.366 -9.686 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.098 -10.369 -7.603 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.717 -12.090 -7.730 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.977 -11.581 -9.839 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.965 -12.770 -8.985 1.00 0.00 H new ATOM 238 N PRO A 19 7.412 -4.970 -6.945 1.00 0.00 N ATOM 239 CA PRO A 19 8.534 -4.037 -6.647 1.00 0.00 C ATOM 240 C PRO A 19 9.883 -4.591 -7.103 1.00 0.00 C ATOM 241 O PRO A 19 10.163 -5.779 -6.941 1.00 0.00 O ATOM 242 CB PRO A 19 8.487 -3.895 -5.126 1.00 0.00 C ATOM 243 CG PRO A 19 7.876 -5.163 -4.624 1.00 0.00 C ATOM 244 CD PRO A 19 6.910 -5.654 -5.706 1.00 0.00 C ATOM 0 HA PRO A 19 8.429 -3.088 -7.173 1.00 0.00 H new ATOM 0 HB2 PRO A 19 9.486 -3.751 -4.714 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.893 -3.030 -4.831 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.645 -5.910 -4.426 1.00 0.00 H new ATOM 0 HG3 PRO A 19 7.349 -4.992 -3.685 1.00 0.00 H new ATOM 0 HD2 PRO A 19 6.935 -6.739 -5.806 1.00 0.00 H new ATOM 0 HD3 PRO A 19 5.880 -5.378 -5.482 1.00 0.00 H new ATOM 252 N THR A 20 10.711 -3.722 -7.671 1.00 0.00 N ATOM 253 CA THR A 20 12.028 -4.133 -8.145 1.00 0.00 C ATOM 254 C THR A 20 13.044 -4.083 -7.008 1.00 0.00 C ATOM 255 O THR A 20 14.246 -4.232 -7.229 1.00 0.00 O ATOM 256 CB THR A 20 12.484 -3.214 -9.281 1.00 0.00 C ATOM 257 OG1 THR A 20 13.869 -3.422 -9.526 1.00 0.00 O ATOM 258 CG2 THR A 20 12.247 -1.755 -8.886 1.00 0.00 C ATOM 0 H THR A 20 10.496 -2.735 -7.814 1.00 0.00 H new ATOM 0 HA THR A 20 11.960 -5.157 -8.512 1.00 0.00 H new ATOM 0 HB THR A 20 11.916 -3.440 -10.183 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.193 -4.160 -8.968 1.00 0.00 H new ATOM 0 HG21 THR A 20 12.572 -1.101 -9.696 1.00 0.00 H new ATOM 0 HG22 THR A 20 11.185 -1.597 -8.696 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.815 -1.525 -7.984 1.00 0.00 H new ATOM 266 N PHE A 21 12.552 -3.873 -5.791 1.00 0.00 N ATOM 267 CA PHE A 21 13.426 -3.806 -4.625 1.00 0.00 C ATOM 268 C PHE A 21 12.828 -4.593 -3.463 1.00 0.00 C ATOM 269 O PHE A 21 11.672 -4.391 -3.094 1.00 0.00 O ATOM 270 CB PHE A 21 13.626 -2.348 -4.207 1.00 0.00 C ATOM 271 CG PHE A 21 14.653 -2.275 -3.104 1.00 0.00 C ATOM 272 CD1 PHE A 21 16.017 -2.222 -3.418 1.00 0.00 C ATOM 273 CD2 PHE A 21 14.243 -2.259 -1.766 1.00 0.00 C ATOM 274 CE1 PHE A 21 16.970 -2.155 -2.395 1.00 0.00 C ATOM 275 CE2 PHE A 21 15.196 -2.190 -0.741 1.00 0.00 C ATOM 276 CZ PHE A 21 16.559 -2.138 -1.056 1.00 0.00 C ATOM 0 H PHE A 21 11.561 -3.747 -5.587 1.00 0.00 H new ATOM 0 HA PHE A 21 14.389 -4.244 -4.889 1.00 0.00 H new ATOM 0 HB2 PHE A 21 13.952 -1.755 -5.062 1.00 0.00 H new ATOM 0 HB3 PHE A 21 12.681 -1.924 -3.867 1.00 0.00 H new ATOM 0 HD1 PHE A 21 16.334 -2.233 -4.450 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.191 -2.300 -1.523 1.00 0.00 H new ATOM 0 HE1 PHE A 21 18.022 -2.116 -2.638 1.00 0.00 H new ATOM 0 HE2 PHE A 21 14.879 -2.177 0.291 1.00 0.00 H new ATOM 0 HZ PHE A 21 17.294 -2.085 -0.266 1.00 0.00 H new ATOM 286 N VAL A 22 13.625 -5.492 -2.891 1.00 0.00 N ATOM 287 CA VAL A 22 13.160 -6.308 -1.775 1.00 0.00 C ATOM 288 C VAL A 22 14.137 -6.224 -0.606 1.00 0.00 C ATOM 289 O VAL A 22 15.338 -6.431 -0.773 1.00 0.00 O ATOM 290 CB VAL A 22 13.017 -7.765 -2.219 1.00 0.00 C ATOM 291 CG1 VAL A 22 12.080 -8.502 -1.260 1.00 0.00 C ATOM 292 CG2 VAL A 22 12.436 -7.811 -3.634 1.00 0.00 C ATOM 0 H VAL A 22 14.587 -5.672 -3.179 1.00 0.00 H new ATOM 0 HA VAL A 22 12.190 -5.930 -1.451 1.00 0.00 H new ATOM 0 HB VAL A 22 13.996 -8.245 -2.211 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.978 -9.540 -1.577 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.492 -8.469 -0.251 1.00 0.00 H new ATOM 0 HG13 VAL A 22 11.101 -8.023 -1.268 1.00 0.00 H new ATOM 0 HG21 VAL A 22 12.334 -8.849 -3.952 1.00 0.00 H new ATOM 0 HG22 VAL A 22 11.457 -7.331 -3.641 1.00 0.00 H new ATOM 0 HG23 VAL A 22 13.103 -7.286 -4.318 1.00 0.00 H new ATOM 302 N GLY A 23 13.612 -5.920 0.576 1.00 0.00 N ATOM 303 CA GLY A 23 14.448 -5.811 1.766 1.00 0.00 C ATOM 304 C GLY A 23 14.158 -6.945 2.742 1.00 0.00 C ATOM 305 O GLY A 23 14.407 -8.113 2.443 1.00 0.00 O ATOM 0 H GLY A 23 12.620 -5.746 0.735 1.00 0.00 H new ATOM 0 HA2 GLY A 23 15.499 -5.833 1.480 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.270 -4.852 2.253 1.00 0.00 H new ATOM 309 N GLU A 24 13.630 -6.594 3.911 1.00 0.00 N ATOM 310 CA GLU A 24 13.311 -7.594 4.924 1.00 0.00 C ATOM 311 C GLU A 24 11.949 -7.311 5.548 1.00 0.00 C ATOM 312 O GLU A 24 11.040 -8.137 5.477 1.00 0.00 O ATOM 313 CB GLU A 24 14.385 -7.590 6.014 1.00 0.00 C ATOM 314 CG GLU A 24 15.751 -7.875 5.388 1.00 0.00 C ATOM 315 CD GLU A 24 15.771 -9.279 4.795 1.00 0.00 C ATOM 316 OE1 GLU A 24 14.929 -10.076 5.179 1.00 0.00 O ATOM 317 OE2 GLU A 24 16.627 -9.540 3.966 1.00 0.00 O ATOM 0 H GLU A 24 13.416 -5.633 4.179 1.00 0.00 H new ATOM 0 HA GLU A 24 13.281 -8.573 4.445 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.400 -6.625 6.521 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.155 -8.343 6.768 1.00 0.00 H new ATOM 0 HG2 GLU A 24 15.965 -7.140 4.611 1.00 0.00 H new ATOM 0 HG3 GLU A 24 16.533 -7.779 6.142 1.00 0.00 H new ATOM 324 N GLU A 25 11.815 -6.138 6.157 1.00 0.00 N ATOM 325 CA GLU A 25 10.554 -5.753 6.782 1.00 0.00 C ATOM 326 C GLU A 25 9.659 -5.029 5.781 1.00 0.00 C ATOM 327 O GLU A 25 10.005 -3.956 5.286 1.00 0.00 O ATOM 328 CB GLU A 25 10.822 -4.840 7.980 1.00 0.00 C ATOM 329 CG GLU A 25 9.521 -4.619 8.755 1.00 0.00 C ATOM 330 CD GLU A 25 9.757 -3.644 9.903 1.00 0.00 C ATOM 331 OE1 GLU A 25 10.884 -3.203 10.058 1.00 0.00 O ATOM 332 OE2 GLU A 25 8.808 -3.350 10.610 1.00 0.00 O ATOM 0 H GLU A 25 12.557 -5.442 6.231 1.00 0.00 H new ATOM 0 HA GLU A 25 10.047 -6.657 7.120 1.00 0.00 H new ATOM 0 HB2 GLU A 25 11.574 -5.287 8.630 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.222 -3.885 7.640 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.752 -4.229 8.088 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.154 -5.569 9.143 1.00 0.00 H new ATOM 339 N VAL A 26 8.508 -5.624 5.486 1.00 0.00 N ATOM 340 CA VAL A 26 7.574 -5.031 4.536 1.00 0.00 C ATOM 341 C VAL A 26 6.238 -4.737 5.210 1.00 0.00 C ATOM 342 O VAL A 26 5.679 -5.590 5.901 1.00 0.00 O ATOM 343 CB VAL A 26 7.356 -5.980 3.357 1.00 0.00 C ATOM 344 CG1 VAL A 26 6.714 -5.214 2.198 1.00 0.00 C ATOM 345 CG2 VAL A 26 8.702 -6.550 2.907 1.00 0.00 C ATOM 0 H VAL A 26 8.201 -6.510 5.888 1.00 0.00 H new ATOM 0 HA VAL A 26 7.998 -4.094 4.174 1.00 0.00 H new ATOM 0 HB VAL A 26 6.699 -6.795 3.662 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.558 -5.890 1.357 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.755 -4.806 2.518 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.371 -4.400 1.892 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.548 -7.227 2.067 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.358 -5.735 2.601 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.161 -7.095 3.732 1.00 0.00 H new ATOM 355 N THR A 27 5.732 -3.526 5.004 1.00 0.00 N ATOM 356 CA THR A 27 4.458 -3.130 5.594 1.00 0.00 C ATOM 357 C THR A 27 3.641 -2.311 4.602 1.00 0.00 C ATOM 358 O THR A 27 4.137 -1.930 3.541 1.00 0.00 O ATOM 359 CB THR A 27 4.704 -2.306 6.861 1.00 0.00 C ATOM 360 OG1 THR A 27 4.932 -0.950 6.503 1.00 0.00 O ATOM 361 CG2 THR A 27 5.925 -2.854 7.600 1.00 0.00 C ATOM 0 H THR A 27 6.180 -2.806 4.437 1.00 0.00 H new ATOM 0 HA THR A 27 3.900 -4.031 5.849 1.00 0.00 H new ATOM 0 HB THR A 27 3.832 -2.369 7.512 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.088 -0.420 7.312 1.00 0.00 H new ATOM 0 HG21 THR A 27 6.099 -2.266 8.501 1.00 0.00 H new ATOM 0 HG22 THR A 27 5.748 -3.894 7.873 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.800 -2.793 6.953 1.00 0.00 H new ATOM 369 N LYS A 28 2.387 -2.044 4.952 1.00 0.00 N ATOM 370 CA LYS A 28 1.514 -1.260 4.085 1.00 0.00 C ATOM 371 C LYS A 28 1.141 0.060 4.750 1.00 0.00 C ATOM 372 O LYS A 28 0.219 0.118 5.564 1.00 0.00 O ATOM 373 CB LYS A 28 0.243 -2.053 3.770 1.00 0.00 C ATOM 374 CG LYS A 28 0.600 -3.525 3.555 1.00 0.00 C ATOM 375 CD LYS A 28 -0.652 -4.297 3.131 1.00 0.00 C ATOM 376 CE LYS A 28 -0.357 -5.798 3.151 1.00 0.00 C ATOM 377 NZ LYS A 28 1.056 -6.032 2.741 1.00 0.00 N ATOM 0 H LYS A 28 1.955 -2.356 5.822 1.00 0.00 H new ATOM 0 HA LYS A 28 2.049 -1.047 3.159 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.471 -1.957 4.588 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.238 -1.650 2.879 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.372 -3.615 2.791 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.008 -3.949 4.472 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.478 -4.069 3.804 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.961 -3.990 2.132 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.528 -6.200 4.150 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.034 -6.322 2.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.176 -7.026 2.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.291 -5.414 1.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.689 -5.819 3.539 1.00 0.00 H new ATOM 391 N GLY A 29 1.865 1.119 4.399 1.00 0.00 N ATOM 392 CA GLY A 29 1.600 2.436 4.966 1.00 0.00 C ATOM 393 C GLY A 29 0.111 2.622 5.237 1.00 0.00 C ATOM 394 O GLY A 29 -0.339 2.527 6.380 1.00 0.00 O ATOM 0 H GLY A 29 2.634 1.091 3.730 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.160 2.557 5.893 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.948 3.208 4.280 1.00 0.00 H new ATOM 398 N PHE A 30 -0.649 2.888 4.180 1.00 0.00 N ATOM 399 CA PHE A 30 -2.089 3.078 4.315 1.00 0.00 C ATOM 400 C PHE A 30 -2.766 1.778 4.735 1.00 0.00 C ATOM 401 O PHE A 30 -2.443 0.705 4.222 1.00 0.00 O ATOM 402 CB PHE A 30 -2.678 3.558 2.987 1.00 0.00 C ATOM 403 CG PHE A 30 -1.950 4.801 2.534 1.00 0.00 C ATOM 404 CD1 PHE A 30 -2.325 6.054 3.036 1.00 0.00 C ATOM 405 CD2 PHE A 30 -0.901 4.701 1.613 1.00 0.00 C ATOM 406 CE1 PHE A 30 -1.650 7.206 2.614 1.00 0.00 C ATOM 407 CE2 PHE A 30 -0.226 5.853 1.193 1.00 0.00 C ATOM 408 CZ PHE A 30 -0.601 7.106 1.693 1.00 0.00 C ATOM 0 H PHE A 30 -0.296 2.976 3.227 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.267 3.829 5.084 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.588 2.776 2.233 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.741 3.768 3.103 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.134 6.131 3.748 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.612 3.735 1.226 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.939 8.172 3.000 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.584 5.775 0.483 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.081 7.995 1.368 1.00 0.00 H new ATOM 418 N GLU A 31 -3.705 1.881 5.668 1.00 0.00 N ATOM 419 CA GLU A 31 -4.421 0.705 6.152 1.00 0.00 C ATOM 420 C GLU A 31 -5.734 0.527 5.396 1.00 0.00 C ATOM 421 O GLU A 31 -6.715 0.029 5.947 1.00 0.00 O ATOM 422 CB GLU A 31 -4.706 0.849 7.648 1.00 0.00 C ATOM 423 CG GLU A 31 -5.207 2.264 7.940 1.00 0.00 C ATOM 424 CD GLU A 31 -4.033 3.236 7.977 1.00 0.00 C ATOM 425 OE1 GLU A 31 -2.907 2.771 8.042 1.00 0.00 O ATOM 426 OE2 GLU A 31 -4.277 4.431 7.940 1.00 0.00 O ATOM 0 H GLU A 31 -3.988 2.760 6.102 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.797 -0.173 5.983 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.451 0.117 7.959 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.802 0.647 8.222 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.920 2.571 7.175 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.735 2.282 8.893 1.00 0.00 H new ATOM 433 N LYS A 32 -5.744 0.938 4.132 1.00 0.00 N ATOM 434 CA LYS A 32 -6.943 0.821 3.311 1.00 0.00 C ATOM 435 C LYS A 32 -6.607 0.209 1.956 1.00 0.00 C ATOM 436 O LYS A 32 -5.456 0.235 1.520 1.00 0.00 O ATOM 437 CB LYS A 32 -7.574 2.200 3.108 1.00 0.00 C ATOM 438 CG LYS A 32 -9.032 2.036 2.677 1.00 0.00 C ATOM 439 CD LYS A 32 -9.639 3.412 2.395 1.00 0.00 C ATOM 440 CE LYS A 32 -11.152 3.273 2.204 1.00 0.00 C ATOM 441 NZ LYS A 32 -11.755 2.681 3.431 1.00 0.00 N ATOM 0 H LYS A 32 -4.942 1.352 3.657 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.650 0.170 3.825 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.519 2.776 4.032 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.021 2.757 2.352 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.091 1.411 1.786 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.599 1.530 3.459 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.427 4.091 3.221 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.187 3.845 1.502 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.595 4.248 2.002 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.364 2.642 1.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.749 2.976 3.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.705 1.644 3.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.232 3.010 4.268 1.00 0.00 H new ATOM 455 N ASP A 33 -7.618 -0.343 1.293 1.00 0.00 N ATOM 456 CA ASP A 33 -7.417 -0.958 -0.013 1.00 0.00 C ATOM 457 C ASP A 33 -6.383 -2.076 0.075 1.00 0.00 C ATOM 458 O ASP A 33 -6.254 -2.735 1.107 1.00 0.00 O ATOM 459 CB ASP A 33 -6.949 0.095 -1.019 1.00 0.00 C ATOM 460 CG ASP A 33 -7.919 1.272 -1.032 1.00 0.00 C ATOM 461 OD1 ASP A 33 -9.091 1.051 -0.776 1.00 0.00 O ATOM 462 OD2 ASP A 33 -7.475 2.377 -1.297 1.00 0.00 O ATOM 0 H ASP A 33 -8.578 -0.377 1.636 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.365 -1.381 -0.345 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.949 0.440 -0.757 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.884 -0.345 -2.014 1.00 0.00 H new ATOM 467 N ASN A 34 -5.650 -2.285 -1.014 1.00 0.00 N ATOM 468 CA ASN A 34 -4.638 -3.334 -1.051 1.00 0.00 C ATOM 469 C ASN A 34 -3.328 -2.835 -0.450 1.00 0.00 C ATOM 470 O ASN A 34 -2.261 -3.393 -0.711 1.00 0.00 O ATOM 471 CB ASN A 34 -4.402 -3.782 -2.494 1.00 0.00 C ATOM 472 CG ASN A 34 -5.683 -4.371 -3.074 1.00 0.00 C ATOM 473 OD1 ASN A 34 -6.509 -4.911 -2.337 1.00 0.00 O ATOM 474 ND2 ASN A 34 -5.901 -4.299 -4.359 1.00 0.00 N ATOM 0 H ASN A 34 -5.737 -1.747 -1.876 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.996 -4.179 -0.463 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.076 -2.935 -3.098 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.604 -4.523 -2.527 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -6.756 -4.690 -4.754 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.216 -3.852 -4.968 1.00 0.00 H new ATOM 481 N GLY A 35 -3.414 -1.781 0.355 1.00 0.00 N ATOM 482 CA GLY A 35 -2.228 -1.213 0.984 1.00 0.00 C ATOM 483 C GLY A 35 -1.686 -0.044 0.168 1.00 0.00 C ATOM 484 O GLY A 35 -1.000 0.830 0.697 1.00 0.00 O ATOM 0 H GLY A 35 -4.287 -1.306 0.586 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.472 -0.876 1.992 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.460 -1.981 1.081 1.00 0.00 H new ATOM 488 N LEU A 36 -2.002 -0.035 -1.123 1.00 0.00 N ATOM 489 CA LEU A 36 -1.547 1.035 -2.002 1.00 0.00 C ATOM 490 C LEU A 36 -0.023 1.095 -2.034 1.00 0.00 C ATOM 491 O LEU A 36 0.607 0.613 -2.976 1.00 0.00 O ATOM 492 CB LEU A 36 -2.102 2.377 -1.521 1.00 0.00 C ATOM 493 CG LEU A 36 -3.598 2.239 -1.236 1.00 0.00 C ATOM 494 CD1 LEU A 36 -4.169 3.599 -0.833 1.00 0.00 C ATOM 495 CD2 LEU A 36 -4.312 1.740 -2.494 1.00 0.00 C ATOM 0 H LEU A 36 -2.567 -0.751 -1.580 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.911 0.830 -3.009 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.578 2.697 -0.621 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.935 3.144 -2.277 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.749 1.527 -0.424 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.235 3.500 -0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.661 3.956 0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.019 4.312 -1.644 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.379 1.641 -2.292 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.161 2.452 -3.305 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.906 0.770 -2.782 1.00 0.00 H new ATOM 507 N LEU A 37 0.564 1.688 -0.999 1.00 0.00 N ATOM 508 CA LEU A 37 2.016 1.812 -0.925 1.00 0.00 C ATOM 509 C LEU A 37 2.585 0.835 0.099 1.00 0.00 C ATOM 510 O LEU A 37 2.071 0.718 1.212 1.00 0.00 O ATOM 511 CB LEU A 37 2.400 3.241 -0.537 1.00 0.00 C ATOM 512 CG LEU A 37 3.923 3.385 -0.565 1.00 0.00 C ATOM 513 CD1 LEU A 37 4.389 3.612 -2.003 1.00 0.00 C ATOM 514 CD2 LEU A 37 4.337 4.579 0.299 1.00 0.00 C ATOM 0 H LEU A 37 0.062 2.087 -0.206 1.00 0.00 H new ATOM 0 HA LEU A 37 2.432 1.578 -1.905 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.944 3.951 -1.227 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.020 3.474 0.458 1.00 0.00 H new ATOM 0 HG LEU A 37 4.381 2.476 -0.175 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.474 3.714 -2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.094 2.763 -2.619 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.932 4.521 -2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.422 4.683 0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.879 5.487 -0.092 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.006 4.418 1.325 1.00 0.00 H new ATOM 526 N PHE A 38 3.650 0.140 -0.284 1.00 0.00 N ATOM 527 CA PHE A 38 4.291 -0.816 0.613 1.00 0.00 C ATOM 528 C PHE A 38 5.642 -0.285 1.082 1.00 0.00 C ATOM 529 O PHE A 38 6.478 0.114 0.271 1.00 0.00 O ATOM 530 CB PHE A 38 4.485 -2.153 -0.102 1.00 0.00 C ATOM 531 CG PHE A 38 3.150 -2.661 -0.591 1.00 0.00 C ATOM 532 CD1 PHE A 38 2.606 -2.165 -1.782 1.00 0.00 C ATOM 533 CD2 PHE A 38 2.455 -3.628 0.146 1.00 0.00 C ATOM 534 CE1 PHE A 38 1.369 -2.635 -2.236 1.00 0.00 C ATOM 535 CE2 PHE A 38 1.218 -4.099 -0.308 1.00 0.00 C ATOM 536 CZ PHE A 38 0.674 -3.603 -1.499 1.00 0.00 C ATOM 0 H PHE A 38 4.086 0.219 -1.203 1.00 0.00 H new ATOM 0 HA PHE A 38 3.648 -0.960 1.482 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.170 -2.033 -0.941 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.936 -2.878 0.576 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.142 -1.419 -2.351 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.874 -4.010 1.065 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.950 -2.252 -3.155 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.683 -4.845 0.260 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.281 -3.966 -1.849 1.00 0.00 H new ATOM 546 N ARG A 39 5.848 -0.284 2.394 1.00 0.00 N ATOM 547 CA ARG A 39 7.105 0.197 2.959 1.00 0.00 C ATOM 548 C ARG A 39 8.143 -0.920 2.985 1.00 0.00 C ATOM 549 O ARG A 39 8.020 -1.878 3.749 1.00 0.00 O ATOM 550 CB ARG A 39 6.875 0.716 4.379 1.00 0.00 C ATOM 551 CG ARG A 39 8.172 1.322 4.917 1.00 0.00 C ATOM 552 CD ARG A 39 7.912 1.956 6.284 1.00 0.00 C ATOM 553 NE ARG A 39 7.641 0.922 7.277 1.00 0.00 N ATOM 554 CZ ARG A 39 7.299 1.238 8.522 1.00 0.00 C ATOM 555 NH1 ARG A 39 7.201 2.491 8.873 1.00 0.00 N ATOM 556 NH2 ARG A 39 7.062 0.295 9.391 1.00 0.00 N ATOM 0 H ARG A 39 5.168 -0.608 3.082 1.00 0.00 H new ATOM 0 HA ARG A 39 7.476 1.008 2.332 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.083 1.465 4.380 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.545 -0.097 5.026 1.00 0.00 H new ATOM 0 HG2 ARG A 39 8.938 0.551 5.002 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.550 2.072 4.223 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.776 2.546 6.589 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.066 2.640 6.220 1.00 0.00 H new ATOM 0 HE ARG A 39 7.715 -0.060 7.011 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.387 3.227 8.192 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.939 2.734 9.828 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.139 -0.684 9.115 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.800 0.536 10.347 1.00 0.00 H new ATOM 570 N ILE A 40 9.166 -0.790 2.147 1.00 0.00 N ATOM 571 CA ILE A 40 10.217 -1.798 2.077 1.00 0.00 C ATOM 572 C ILE A 40 11.474 -1.311 2.788 1.00 0.00 C ATOM 573 O ILE A 40 11.936 -0.192 2.557 1.00 0.00 O ATOM 574 CB ILE A 40 10.544 -2.109 0.615 1.00 0.00 C ATOM 575 CG1 ILE A 40 9.246 -2.370 -0.153 1.00 0.00 C ATOM 576 CG2 ILE A 40 11.435 -3.351 0.544 1.00 0.00 C ATOM 577 CD1 ILE A 40 9.562 -2.566 -1.637 1.00 0.00 C ATOM 0 H ILE A 40 9.289 -0.002 1.511 1.00 0.00 H new ATOM 0 HA ILE A 40 9.861 -2.702 2.571 1.00 0.00 H new ATOM 0 HB ILE A 40 11.066 -1.261 0.172 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.748 -3.255 0.244 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.560 -1.533 -0.024 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.668 -3.573 -0.497 1.00 0.00 H new ATOM 0 HG22 ILE A 40 12.359 -3.167 1.091 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.913 -4.199 0.987 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.638 -2.752 -2.184 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.041 -1.669 -2.029 1.00 0.00 H new ATOM 0 HD13 ILE A 40 10.232 -3.417 -1.757 1.00 0.00 H new ATOM 589 N VAL A 41 12.023 -2.154 3.657 1.00 0.00 N ATOM 590 CA VAL A 41 13.224 -1.794 4.400 1.00 0.00 C ATOM 591 C VAL A 41 14.247 -2.925 4.346 1.00 0.00 C ATOM 592 O VAL A 41 13.940 -4.070 4.680 1.00 0.00 O ATOM 593 CB VAL A 41 12.867 -1.496 5.857 1.00 0.00 C ATOM 594 CG1 VAL A 41 14.116 -1.024 6.604 1.00 0.00 C ATOM 595 CG2 VAL A 41 11.802 -0.399 5.905 1.00 0.00 C ATOM 0 H VAL A 41 11.658 -3.084 3.863 1.00 0.00 H new ATOM 0 HA VAL A 41 13.658 -0.905 3.943 1.00 0.00 H new ATOM 0 HB VAL A 41 12.482 -2.400 6.328 1.00 0.00 H new ATOM 0 HG11 VAL A 41 13.861 -0.812 7.642 1.00 0.00 H new ATOM 0 HG12 VAL A 41 14.877 -1.804 6.570 1.00 0.00 H new ATOM 0 HG13 VAL A 41 14.502 -0.120 6.133 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.546 -0.185 6.943 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.189 0.504 5.433 1.00 0.00 H new ATOM 0 HG23 VAL A 41 10.911 -0.733 5.373 1.00 0.00 H new ATOM 605 N ASN A 42 15.464 -2.596 3.923 1.00 0.00 N ATOM 606 CA ASN A 42 16.526 -3.591 3.833 1.00 0.00 C ATOM 607 C ASN A 42 17.494 -3.448 5.004 1.00 0.00 C ATOM 608 O ASN A 42 18.317 -2.533 5.033 1.00 0.00 O ATOM 609 CB ASN A 42 17.286 -3.426 2.517 1.00 0.00 C ATOM 610 CG ASN A 42 17.872 -4.764 2.080 1.00 0.00 C ATOM 611 OD1 ASN A 42 18.516 -5.450 2.874 1.00 0.00 O ATOM 612 ND2 ASN A 42 17.686 -5.179 0.857 1.00 0.00 N ATOM 0 H ASN A 42 15.737 -1.655 3.639 1.00 0.00 H new ATOM 0 HA ASN A 42 16.074 -4.582 3.869 1.00 0.00 H new ATOM 0 HB2 ASN A 42 16.616 -3.044 1.746 1.00 0.00 H new ATOM 0 HB3 ASN A 42 18.083 -2.693 2.638 1.00 0.00 H new ATOM 0 HD21 ASN A 42 18.074 -6.073 0.557 1.00 0.00 H new ATOM 0 HD22 ASN A 42 17.152 -4.609 0.201 1.00 0.00 H new ATOM 619 N LYS A 43 17.386 -4.356 5.968 1.00 0.00 N ATOM 620 CA LYS A 43 18.251 -4.316 7.142 1.00 0.00 C ATOM 621 C LYS A 43 19.717 -4.437 6.736 1.00 0.00 C ATOM 622 O LYS A 43 20.597 -3.870 7.383 1.00 0.00 O ATOM 623 CB LYS A 43 17.890 -5.457 8.095 1.00 0.00 C ATOM 624 CG LYS A 43 16.482 -5.233 8.651 1.00 0.00 C ATOM 625 CD LYS A 43 16.162 -6.315 9.683 1.00 0.00 C ATOM 626 CE LYS A 43 14.709 -6.170 10.139 1.00 0.00 C ATOM 627 NZ LYS A 43 14.556 -4.910 10.920 1.00 0.00 N ATOM 0 H LYS A 43 16.714 -5.123 5.961 1.00 0.00 H new ATOM 0 HA LYS A 43 18.103 -3.360 7.644 1.00 0.00 H new ATOM 0 HB2 LYS A 43 17.938 -6.411 7.571 1.00 0.00 H new ATOM 0 HB3 LYS A 43 18.611 -5.505 8.911 1.00 0.00 H new ATOM 0 HG2 LYS A 43 16.414 -4.247 9.110 1.00 0.00 H new ATOM 0 HG3 LYS A 43 15.752 -5.260 7.842 1.00 0.00 H new ATOM 0 HD2 LYS A 43 16.322 -7.303 9.252 1.00 0.00 H new ATOM 0 HD3 LYS A 43 16.833 -6.228 10.537 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.045 -6.157 9.275 1.00 0.00 H new ATOM 0 HE3 LYS A 43 14.421 -7.026 10.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.640 -4.916 11.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 15.324 -4.839 11.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 14.597 -4.095 10.275 1.00 0.00 H new ATOM 641 N LYS A 44 19.970 -5.178 5.663 1.00 0.00 N ATOM 642 CA LYS A 44 21.334 -5.375 5.189 1.00 0.00 C ATOM 643 C LYS A 44 21.983 -4.037 4.846 1.00 0.00 C ATOM 644 O LYS A 44 23.077 -3.727 5.321 1.00 0.00 O ATOM 645 CB LYS A 44 21.333 -6.275 3.952 1.00 0.00 C ATOM 646 CG LYS A 44 22.774 -6.594 3.550 1.00 0.00 C ATOM 647 CD LYS A 44 22.775 -7.633 2.427 1.00 0.00 C ATOM 648 CE LYS A 44 22.117 -7.037 1.180 1.00 0.00 C ATOM 649 NZ LYS A 44 22.562 -7.793 -0.025 1.00 0.00 N ATOM 0 H LYS A 44 19.255 -5.649 5.109 1.00 0.00 H new ATOM 0 HA LYS A 44 21.908 -5.851 5.984 1.00 0.00 H new ATOM 0 HB2 LYS A 44 20.790 -7.197 4.161 1.00 0.00 H new ATOM 0 HB3 LYS A 44 20.816 -5.780 3.130 1.00 0.00 H new ATOM 0 HG2 LYS A 44 23.280 -5.686 3.220 1.00 0.00 H new ATOM 0 HG3 LYS A 44 23.327 -6.972 4.410 1.00 0.00 H new ATOM 0 HD2 LYS A 44 23.796 -7.939 2.201 1.00 0.00 H new ATOM 0 HD3 LYS A 44 22.237 -8.527 2.743 1.00 0.00 H new ATOM 0 HE2 LYS A 44 21.032 -7.083 1.271 1.00 0.00 H new ATOM 0 HE3 LYS A 44 22.385 -5.985 1.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 22.115 -7.389 -0.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 23.596 -7.727 -0.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 22.285 -8.791 0.070 1.00 0.00 H new ATOM 663 N LYS A 45 21.304 -3.250 4.020 1.00 0.00 N ATOM 664 CA LYS A 45 21.826 -1.949 3.617 1.00 0.00 C ATOM 665 C LYS A 45 21.159 -0.833 4.414 1.00 0.00 C ATOM 666 O LYS A 45 21.539 0.333 4.306 1.00 0.00 O ATOM 667 CB LYS A 45 21.582 -1.730 2.123 1.00 0.00 C ATOM 668 CG LYS A 45 22.710 -0.874 1.542 1.00 0.00 C ATOM 669 CD LYS A 45 23.887 -1.773 1.156 1.00 0.00 C ATOM 670 CE LYS A 45 24.999 -0.920 0.539 1.00 0.00 C ATOM 671 NZ LYS A 45 25.634 -0.089 1.601 1.00 0.00 N ATOM 0 H LYS A 45 20.397 -3.487 3.618 1.00 0.00 H new ATOM 0 HA LYS A 45 22.897 -1.930 3.817 1.00 0.00 H new ATOM 0 HB2 LYS A 45 21.536 -2.689 1.607 1.00 0.00 H new ATOM 0 HB3 LYS A 45 20.621 -1.238 1.969 1.00 0.00 H new ATOM 0 HG2 LYS A 45 22.354 -0.328 0.668 1.00 0.00 H new ATOM 0 HG3 LYS A 45 23.030 -0.131 2.273 1.00 0.00 H new ATOM 0 HD2 LYS A 45 24.262 -2.298 2.035 1.00 0.00 H new ATOM 0 HD3 LYS A 45 23.561 -2.533 0.446 1.00 0.00 H new ATOM 0 HE2 LYS A 45 25.745 -1.561 0.069 1.00 0.00 H new ATOM 0 HE3 LYS A 45 24.590 -0.280 -0.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 26.528 0.306 1.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 24.993 0.687 1.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 25.825 -0.679 2.436 1.00 0.00 H new ATOM 685 N LYS A 46 20.163 -1.199 5.216 1.00 0.00 N ATOM 686 CA LYS A 46 19.438 -0.217 6.015 1.00 0.00 C ATOM 687 C LYS A 46 18.865 0.883 5.127 1.00 0.00 C ATOM 688 O LYS A 46 18.586 1.988 5.595 1.00 0.00 O ATOM 689 CB LYS A 46 20.373 0.401 7.057 1.00 0.00 C ATOM 690 CG LYS A 46 20.161 -0.289 8.405 1.00 0.00 C ATOM 691 CD LYS A 46 18.920 0.290 9.087 1.00 0.00 C ATOM 692 CE LYS A 46 18.206 -0.812 9.870 1.00 0.00 C ATOM 693 NZ LYS A 46 19.215 -1.731 10.468 1.00 0.00 N ATOM 0 H LYS A 46 19.842 -2.160 5.329 1.00 0.00 H new ATOM 0 HA LYS A 46 18.616 -0.724 6.519 1.00 0.00 H new ATOM 0 HB2 LYS A 46 21.410 0.293 6.740 1.00 0.00 H new ATOM 0 HB3 LYS A 46 20.177 1.469 7.149 1.00 0.00 H new ATOM 0 HG2 LYS A 46 20.042 -1.363 8.261 1.00 0.00 H new ATOM 0 HG3 LYS A 46 21.036 -0.148 9.039 1.00 0.00 H new ATOM 0 HD2 LYS A 46 19.206 1.100 9.758 1.00 0.00 H new ATOM 0 HD3 LYS A 46 18.248 0.715 8.342 1.00 0.00 H new ATOM 0 HE2 LYS A 46 17.588 -0.374 10.654 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.539 -1.367 9.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 18.820 -2.170 11.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 19.460 -2.472 9.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 20.070 -1.193 10.717 1.00 0.00 H new ATOM 707 N GLN A 47 18.690 0.576 3.846 1.00 0.00 N ATOM 708 CA GLN A 47 18.147 1.551 2.906 1.00 0.00 C ATOM 709 C GLN A 47 16.650 1.332 2.717 1.00 0.00 C ATOM 710 O GLN A 47 16.207 0.222 2.424 1.00 0.00 O ATOM 711 CB GLN A 47 18.858 1.430 1.556 1.00 0.00 C ATOM 712 CG GLN A 47 18.439 0.129 0.871 1.00 0.00 C ATOM 713 CD GLN A 47 19.423 -0.213 -0.243 1.00 0.00 C ATOM 714 OE1 GLN A 47 19.478 -1.356 -0.695 1.00 0.00 O ATOM 715 NE2 GLN A 47 20.206 0.718 -0.717 1.00 0.00 N ATOM 0 H GLN A 47 18.914 -0.331 3.437 1.00 0.00 H new ATOM 0 HA GLN A 47 18.310 2.550 3.311 1.00 0.00 H new ATOM 0 HB2 GLN A 47 18.608 2.282 0.924 1.00 0.00 H new ATOM 0 HB3 GLN A 47 19.938 1.446 1.700 1.00 0.00 H new ATOM 0 HG2 GLN A 47 18.406 -0.681 1.600 1.00 0.00 H new ATOM 0 HG3 GLN A 47 17.434 0.231 0.461 1.00 0.00 H new ATOM 0 HE21 GLN A 47 20.158 1.665 -0.341 1.00 0.00 H new ATOM 0 HE22 GLN A 47 20.865 0.499 -1.464 1.00 0.00 H new ATOM 724 N TRP A 48 15.875 2.399 2.887 1.00 0.00 N ATOM 725 CA TRP A 48 14.429 2.313 2.724 1.00 0.00 C ATOM 726 C TRP A 48 14.045 2.443 1.253 1.00 0.00 C ATOM 727 O TRP A 48 14.768 3.052 0.464 1.00 0.00 O ATOM 728 CB TRP A 48 13.745 3.419 3.531 1.00 0.00 C ATOM 729 CG TRP A 48 13.875 3.126 4.991 1.00 0.00 C ATOM 730 CD1 TRP A 48 14.733 2.231 5.532 1.00 0.00 C ATOM 731 CD2 TRP A 48 13.138 3.712 6.104 1.00 0.00 C ATOM 732 NE1 TRP A 48 14.571 2.230 6.907 1.00 0.00 N ATOM 733 CE2 TRP A 48 13.599 3.127 7.307 1.00 0.00 C ATOM 734 CE3 TRP A 48 12.126 4.684 6.186 1.00 0.00 C ATOM 735 CZ2 TRP A 48 13.074 3.493 8.547 1.00 0.00 C ATOM 736 CZ3 TRP A 48 11.594 5.055 7.432 1.00 0.00 C ATOM 737 CH2 TRP A 48 12.067 4.461 8.609 1.00 0.00 C ATOM 0 H TRP A 48 16.221 3.326 3.136 1.00 0.00 H new ATOM 0 HA TRP A 48 14.100 1.340 3.089 1.00 0.00 H new ATOM 0 HB2 TRP A 48 14.197 4.384 3.301 1.00 0.00 H new ATOM 0 HB3 TRP A 48 12.693 3.487 3.255 1.00 0.00 H new ATOM 0 HD1 TRP A 48 15.431 1.617 4.981 1.00 0.00 H new ATOM 0 HE1 TRP A 48 15.104 1.640 7.546 1.00 0.00 H new ATOM 0 HE3 TRP A 48 11.755 5.149 5.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 13.443 3.032 9.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 10.816 5.802 7.483 1.00 0.00 H new ATOM 0 HH2 TRP A 48 11.654 4.751 9.564 1.00 0.00 H new ATOM 748 N ALA A 49 12.902 1.869 0.893 1.00 0.00 N ATOM 749 CA ALA A 49 12.425 1.931 -0.484 1.00 0.00 C ATOM 750 C ALA A 49 10.900 1.927 -0.520 1.00 0.00 C ATOM 751 O ALA A 49 10.253 1.282 0.305 1.00 0.00 O ATOM 752 CB ALA A 49 12.960 0.737 -1.278 1.00 0.00 C ATOM 0 H ALA A 49 12.292 1.358 1.531 1.00 0.00 H new ATOM 0 HA ALA A 49 12.787 2.855 -0.934 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.599 0.792 -2.305 1.00 0.00 H new ATOM 0 HB2 ALA A 49 14.050 0.757 -1.275 1.00 0.00 H new ATOM 0 HB3 ALA A 49 12.613 -0.189 -0.820 1.00 0.00 H new ATOM 758 N TYR A 50 10.331 2.650 -1.479 1.00 0.00 N ATOM 759 CA TYR A 50 8.881 2.721 -1.607 1.00 0.00 C ATOM 760 C TYR A 50 8.441 2.301 -3.006 1.00 0.00 C ATOM 761 O TYR A 50 9.051 2.689 -4.003 1.00 0.00 O ATOM 762 CB TYR A 50 8.400 4.146 -1.327 1.00 0.00 C ATOM 763 CG TYR A 50 8.535 4.437 0.149 1.00 0.00 C ATOM 764 CD1 TYR A 50 7.675 3.820 1.065 1.00 0.00 C ATOM 765 CD2 TYR A 50 9.517 5.327 0.599 1.00 0.00 C ATOM 766 CE1 TYR A 50 7.800 4.093 2.434 1.00 0.00 C ATOM 767 CE2 TYR A 50 9.641 5.600 1.966 1.00 0.00 C ATOM 768 CZ TYR A 50 8.782 4.982 2.884 1.00 0.00 C ATOM 769 OH TYR A 50 8.903 5.251 4.232 1.00 0.00 O ATOM 0 H TYR A 50 10.847 3.191 -2.173 1.00 0.00 H new ATOM 0 HA TYR A 50 8.440 2.038 -0.881 1.00 0.00 H new ATOM 0 HB2 TYR A 50 8.986 4.860 -1.905 1.00 0.00 H new ATOM 0 HB3 TYR A 50 7.362 4.259 -1.638 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.916 3.135 0.717 1.00 0.00 H new ATOM 0 HD2 TYR A 50 10.179 5.803 -0.109 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.138 3.617 3.142 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.399 6.287 2.313 1.00 0.00 H new ATOM 0 HH TYR A 50 9.634 5.888 4.374 1.00 0.00 H new ATOM 779 N TYR A 51 7.378 1.507 -3.071 1.00 0.00 N ATOM 780 CA TYR A 51 6.851 1.051 -4.352 1.00 0.00 C ATOM 781 C TYR A 51 5.397 1.483 -4.515 1.00 0.00 C ATOM 782 O TYR A 51 4.545 1.156 -3.688 1.00 0.00 O ATOM 783 CB TYR A 51 6.948 -0.473 -4.442 1.00 0.00 C ATOM 784 CG TYR A 51 6.126 -0.963 -5.611 1.00 0.00 C ATOM 785 CD1 TYR A 51 6.649 -0.905 -6.908 1.00 0.00 C ATOM 786 CD2 TYR A 51 4.840 -1.473 -5.398 1.00 0.00 C ATOM 787 CE1 TYR A 51 5.887 -1.359 -7.991 1.00 0.00 C ATOM 788 CE2 TYR A 51 4.077 -1.927 -6.480 1.00 0.00 C ATOM 789 CZ TYR A 51 4.602 -1.870 -7.778 1.00 0.00 C ATOM 790 OH TYR A 51 3.850 -2.317 -8.846 1.00 0.00 O ATOM 0 H TYR A 51 6.867 1.167 -2.256 1.00 0.00 H new ATOM 0 HA TYR A 51 7.443 1.499 -5.150 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.988 -0.775 -4.563 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.590 -0.926 -3.517 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.640 -0.510 -7.073 1.00 0.00 H new ATOM 0 HD2 TYR A 51 4.436 -1.516 -4.397 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.291 -1.315 -8.992 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.085 -2.321 -6.315 1.00 0.00 H new ATOM 0 HH TYR A 51 3.166 -2.941 -8.526 1.00 0.00 H new ATOM 800 N ASN A 52 5.120 2.220 -5.585 1.00 0.00 N ATOM 801 CA ASN A 52 3.766 2.699 -5.840 1.00 0.00 C ATOM 802 C ASN A 52 3.013 1.731 -6.747 1.00 0.00 C ATOM 803 O ASN A 52 3.521 1.319 -7.790 1.00 0.00 O ATOM 804 CB ASN A 52 3.815 4.080 -6.497 1.00 0.00 C ATOM 805 CG ASN A 52 2.399 4.589 -6.745 1.00 0.00 C ATOM 806 OD1 ASN A 52 1.427 3.902 -6.430 1.00 0.00 O ATOM 807 ND2 ASN A 52 2.222 5.760 -7.294 1.00 0.00 N ATOM 0 H ASN A 52 5.808 2.497 -6.285 1.00 0.00 H new ATOM 0 HA ASN A 52 3.242 2.767 -4.887 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.354 4.778 -5.856 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.361 4.025 -7.439 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.278 6.107 -7.462 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.028 6.328 -7.554 1.00 0.00 H new ATOM 814 N ASP A 53 1.799 1.373 -6.341 1.00 0.00 N ATOM 815 CA ASP A 53 0.983 0.452 -7.125 1.00 0.00 C ATOM 816 C ASP A 53 -0.156 1.199 -7.811 1.00 0.00 C ATOM 817 O ASP A 53 -0.541 0.868 -8.932 1.00 0.00 O ATOM 818 CB ASP A 53 0.408 -0.638 -6.217 1.00 0.00 C ATOM 819 CG ASP A 53 -0.603 -0.031 -5.251 1.00 0.00 C ATOM 820 OD1 ASP A 53 -0.500 1.155 -4.984 1.00 0.00 O ATOM 821 OD2 ASP A 53 -1.466 -0.761 -4.791 1.00 0.00 O ATOM 0 H ASP A 53 1.361 1.703 -5.481 1.00 0.00 H new ATOM 0 HA ASP A 53 1.614 -0.006 -7.887 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.070 -1.410 -6.820 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.211 -1.120 -5.660 1.00 0.00 H new ATOM 826 N THR A 54 -0.688 2.209 -7.130 1.00 0.00 N ATOM 827 CA THR A 54 -1.785 2.996 -7.682 1.00 0.00 C ATOM 828 C THR A 54 -1.379 3.624 -9.011 1.00 0.00 C ATOM 829 O THR A 54 -0.421 4.393 -9.078 1.00 0.00 O ATOM 830 CB THR A 54 -2.186 4.097 -6.698 1.00 0.00 C ATOM 831 OG1 THR A 54 -1.016 4.738 -6.206 1.00 0.00 O ATOM 832 CG2 THR A 54 -2.962 3.484 -5.531 1.00 0.00 C ATOM 0 H THR A 54 -0.380 2.500 -6.202 1.00 0.00 H new ATOM 0 HA THR A 54 -2.633 2.332 -7.850 1.00 0.00 H new ATOM 0 HB THR A 54 -2.816 4.827 -7.206 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.237 4.433 -6.716 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.247 4.269 -4.831 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.858 2.992 -5.909 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.335 2.753 -5.021 1.00 0.00 H new ATOM 840 N THR A 55 -2.112 3.288 -10.067 1.00 0.00 N ATOM 841 CA THR A 55 -1.815 3.822 -11.392 1.00 0.00 C ATOM 842 C THR A 55 -2.676 5.048 -11.681 1.00 0.00 C ATOM 843 O THR A 55 -2.763 5.503 -12.821 1.00 0.00 O ATOM 844 CB THR A 55 -2.074 2.753 -12.456 1.00 0.00 C ATOM 845 OG1 THR A 55 -3.418 2.305 -12.357 1.00 0.00 O ATOM 846 CG2 THR A 55 -1.124 1.575 -12.239 1.00 0.00 C ATOM 0 H THR A 55 -2.910 2.654 -10.033 1.00 0.00 H new ATOM 0 HA THR A 55 -0.765 4.114 -11.418 1.00 0.00 H new ATOM 0 HB THR A 55 -1.904 3.176 -13.446 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.586 1.621 -13.039 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.309 0.814 -12.997 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.093 1.920 -12.315 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.292 1.150 -11.250 1.00 0.00 H new ATOM 854 N GLN A 56 -3.311 5.578 -10.640 1.00 0.00 N ATOM 855 CA GLN A 56 -4.161 6.754 -10.794 1.00 0.00 C ATOM 856 C GLN A 56 -3.740 7.853 -9.824 1.00 0.00 C ATOM 857 O GLN A 56 -4.127 9.011 -9.978 1.00 0.00 O ATOM 858 CB GLN A 56 -5.622 6.379 -10.539 1.00 0.00 C ATOM 859 CG GLN A 56 -5.686 5.234 -9.526 1.00 0.00 C ATOM 860 CD GLN A 56 -5.350 3.914 -10.210 1.00 0.00 C ATOM 861 OE1 GLN A 56 -4.594 3.108 -9.667 1.00 0.00 O ATOM 862 NE2 GLN A 56 -5.868 3.643 -11.376 1.00 0.00 N ATOM 0 H GLN A 56 -3.254 5.216 -9.688 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.053 7.125 -11.813 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.170 7.243 -10.162 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.100 6.080 -11.472 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.987 5.419 -8.711 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.682 5.182 -9.086 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.494 4.312 -11.824 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.647 2.762 -11.840 1.00 0.00 H new ATOM 871 N TYR A 57 -2.949 7.481 -8.823 1.00 0.00 N ATOM 872 CA TYR A 57 -2.475 8.446 -7.840 1.00 0.00 C ATOM 873 C TYR A 57 -0.992 8.236 -7.550 1.00 0.00 C ATOM 874 O TYR A 57 -0.503 7.106 -7.552 1.00 0.00 O ATOM 875 CB TYR A 57 -3.274 8.306 -6.542 1.00 0.00 C ATOM 876 CG TYR A 57 -4.686 7.877 -6.866 1.00 0.00 C ATOM 877 CD1 TYR A 57 -5.529 8.731 -7.587 1.00 0.00 C ATOM 878 CD2 TYR A 57 -5.152 6.627 -6.442 1.00 0.00 C ATOM 879 CE1 TYR A 57 -6.838 8.333 -7.885 1.00 0.00 C ATOM 880 CE2 TYR A 57 -6.461 6.230 -6.740 1.00 0.00 C ATOM 881 CZ TYR A 57 -7.304 7.083 -7.462 1.00 0.00 C ATOM 882 OH TYR A 57 -8.594 6.691 -7.756 1.00 0.00 O ATOM 0 H TYR A 57 -2.625 6.526 -8.672 1.00 0.00 H new ATOM 0 HA TYR A 57 -2.615 9.447 -8.248 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.801 7.574 -5.888 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.284 9.254 -6.004 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -5.170 9.696 -7.913 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.502 5.969 -5.885 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -7.489 8.991 -8.442 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.820 5.266 -6.413 1.00 0.00 H new ATOM 0 HH TYR A 57 -8.755 5.796 -7.390 1.00 0.00 H new ATOM 892 N GLU A 58 -0.281 9.331 -7.299 1.00 0.00 N ATOM 893 CA GLU A 58 1.140 9.253 -6.986 1.00 0.00 C ATOM 894 C GLU A 58 1.353 9.189 -5.477 1.00 0.00 C ATOM 895 O GLU A 58 0.609 9.799 -4.710 1.00 0.00 O ATOM 896 CB GLU A 58 1.869 10.474 -7.555 1.00 0.00 C ATOM 897 CG GLU A 58 0.901 11.657 -7.625 1.00 0.00 C ATOM 898 CD GLU A 58 1.639 12.904 -8.099 1.00 0.00 C ATOM 899 OE1 GLU A 58 2.855 12.859 -8.172 1.00 0.00 O ATOM 900 OE2 GLU A 58 0.975 13.889 -8.384 1.00 0.00 O ATOM 0 H GLU A 58 -0.663 10.277 -7.306 1.00 0.00 H new ATOM 0 HA GLU A 58 1.543 8.347 -7.438 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.724 10.726 -6.927 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.258 10.249 -8.548 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.082 11.428 -8.306 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.460 11.836 -6.644 1.00 0.00 H new ATOM 907 N MET A 59 2.370 8.444 -5.059 1.00 0.00 N ATOM 908 CA MET A 59 2.661 8.296 -3.638 1.00 0.00 C ATOM 909 C MET A 59 3.684 9.335 -3.187 1.00 0.00 C ATOM 910 O MET A 59 4.796 9.396 -3.715 1.00 0.00 O ATOM 911 CB MET A 59 3.200 6.893 -3.359 1.00 0.00 C ATOM 912 CG MET A 59 2.032 5.917 -3.203 1.00 0.00 C ATOM 913 SD MET A 59 0.774 6.280 -4.454 1.00 0.00 S ATOM 914 CE MET A 59 -0.627 5.527 -3.591 1.00 0.00 C ATOM 0 H MET A 59 3.002 7.937 -5.678 1.00 0.00 H new ATOM 0 HA MET A 59 1.737 8.448 -3.081 1.00 0.00 H new ATOM 0 HB2 MET A 59 3.849 6.573 -4.174 1.00 0.00 H new ATOM 0 HB3 MET A 59 3.806 6.899 -2.453 1.00 0.00 H new ATOM 0 HG2 MET A 59 2.384 4.891 -3.312 1.00 0.00 H new ATOM 0 HG3 MET A 59 1.603 6.002 -2.205 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.558 5.860 -4.049 1.00 0.00 H new ATOM 0 HE2 MET A 59 -0.556 4.442 -3.661 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.611 5.825 -2.543 1.00 0.00 H new ATOM 924 N HIS A 60 3.302 10.146 -2.207 1.00 0.00 N ATOM 925 CA HIS A 60 4.200 11.169 -1.679 1.00 0.00 C ATOM 926 C HIS A 60 4.681 10.784 -0.284 1.00 0.00 C ATOM 927 O HIS A 60 3.877 10.592 0.628 1.00 0.00 O ATOM 928 CB HIS A 60 3.481 12.518 -1.622 1.00 0.00 C ATOM 929 CG HIS A 60 3.104 12.946 -3.013 1.00 0.00 C ATOM 930 ND1 HIS A 60 3.753 13.981 -3.670 1.00 0.00 N ATOM 931 CD2 HIS A 60 2.150 12.488 -3.888 1.00 0.00 C ATOM 932 CE1 HIS A 60 3.185 14.111 -4.883 1.00 0.00 C ATOM 933 NE2 HIS A 60 2.202 13.225 -5.067 1.00 0.00 N ATOM 0 H HIS A 60 2.384 10.117 -1.764 1.00 0.00 H new ATOM 0 HA HIS A 60 5.063 11.249 -2.341 1.00 0.00 H new ATOM 0 HB2 HIS A 60 2.589 12.441 -1.000 1.00 0.00 H new ATOM 0 HB3 HIS A 60 4.126 13.267 -1.162 1.00 0.00 H new ATOM 0 HD1 HIS A 60 4.521 14.542 -3.301 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.463 11.678 -3.691 1.00 0.00 H new ATOM 0 HE1 HIS A 60 3.487 14.842 -5.618 1.00 0.00 H new ATOM 942 N VAL A 61 5.995 10.670 -0.125 1.00 0.00 N ATOM 943 CA VAL A 61 6.568 10.295 1.162 1.00 0.00 C ATOM 944 C VAL A 61 7.122 11.518 1.886 1.00 0.00 C ATOM 945 O VAL A 61 7.863 12.312 1.306 1.00 0.00 O ATOM 946 CB VAL A 61 7.685 9.271 0.956 1.00 0.00 C ATOM 947 CG1 VAL A 61 8.414 9.036 2.281 1.00 0.00 C ATOM 948 CG2 VAL A 61 7.082 7.953 0.466 1.00 0.00 C ATOM 0 H VAL A 61 6.679 10.830 -0.865 1.00 0.00 H new ATOM 0 HA VAL A 61 5.779 9.857 1.773 1.00 0.00 H new ATOM 0 HB VAL A 61 8.391 9.647 0.215 1.00 0.00 H new ATOM 0 HG11 VAL A 61 9.210 8.306 2.134 1.00 0.00 H new ATOM 0 HG12 VAL A 61 8.843 9.975 2.632 1.00 0.00 H new ATOM 0 HG13 VAL A 61 7.709 8.660 3.022 1.00 0.00 H new ATOM 0 HG21 VAL A 61 7.877 7.222 0.319 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.377 7.578 1.207 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.562 8.119 -0.478 1.00 0.00 H new ATOM 958 N LEU A 62 6.759 11.660 3.157 1.00 0.00 N ATOM 959 CA LEU A 62 7.234 12.782 3.958 1.00 0.00 C ATOM 960 C LEU A 62 7.520 12.329 5.387 1.00 0.00 C ATOM 961 O LEU A 62 6.630 12.326 6.237 1.00 0.00 O ATOM 962 CB LEU A 62 6.187 13.896 3.974 1.00 0.00 C ATOM 963 CG LEU A 62 6.727 15.096 4.752 1.00 0.00 C ATOM 964 CD1 LEU A 62 7.818 15.787 3.932 1.00 0.00 C ATOM 965 CD2 LEU A 62 5.590 16.083 5.021 1.00 0.00 C ATOM 0 H LEU A 62 6.141 11.016 3.652 1.00 0.00 H new ATOM 0 HA LEU A 62 8.155 13.160 3.513 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.941 14.192 2.954 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.266 13.537 4.433 1.00 0.00 H new ATOM 0 HG LEU A 62 7.145 14.756 5.699 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.203 16.643 4.487 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.629 15.084 3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.400 16.127 2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.975 16.939 5.576 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.172 16.423 4.074 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.812 15.592 5.606 1.00 0.00 H new ATOM 977 N VAL A 63 8.766 11.944 5.642 1.00 0.00 N ATOM 978 CA VAL A 63 9.153 11.476 6.968 1.00 0.00 C ATOM 979 C VAL A 63 10.164 12.426 7.603 1.00 0.00 C ATOM 980 O VAL A 63 11.151 12.808 6.975 1.00 0.00 O ATOM 981 CB VAL A 63 9.760 10.076 6.869 1.00 0.00 C ATOM 982 CG1 VAL A 63 10.037 9.537 8.274 1.00 0.00 C ATOM 983 CG2 VAL A 63 8.779 9.146 6.151 1.00 0.00 C ATOM 0 H VAL A 63 9.519 11.946 4.955 1.00 0.00 H new ATOM 0 HA VAL A 63 8.261 11.445 7.594 1.00 0.00 H new ATOM 0 HB VAL A 63 10.694 10.124 6.309 1.00 0.00 H new ATOM 0 HG11 VAL A 63 10.470 8.539 8.202 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.735 10.199 8.787 1.00 0.00 H new ATOM 0 HG13 VAL A 63 9.104 9.488 8.836 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.210 8.147 6.080 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.846 9.099 6.712 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.582 9.528 5.150 1.00 0.00 H new ATOM 993 N THR A 64 9.911 12.799 8.854 1.00 0.00 N ATOM 994 CA THR A 64 10.815 13.689 9.574 1.00 0.00 C ATOM 995 C THR A 64 11.535 12.930 10.685 1.00 0.00 C ATOM 996 O THR A 64 10.919 12.161 11.422 1.00 0.00 O ATOM 997 CB THR A 64 10.031 14.857 10.175 1.00 0.00 C ATOM 998 OG1 THR A 64 9.388 15.579 9.134 1.00 0.00 O ATOM 999 CG2 THR A 64 10.988 15.784 10.925 1.00 0.00 C ATOM 0 H THR A 64 9.094 12.501 9.387 1.00 0.00 H new ATOM 0 HA THR A 64 11.554 14.074 8.872 1.00 0.00 H new ATOM 0 HB THR A 64 9.282 14.474 10.868 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.884 16.327 9.518 1.00 0.00 H new ATOM 0 HG21 THR A 64 10.428 16.616 11.353 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.481 15.229 11.724 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.738 16.169 10.234 1.00 0.00 H new ATOM 1007 N PHE A 65 12.840 13.149 10.796 1.00 0.00 N ATOM 1008 CA PHE A 65 13.632 12.474 11.819 1.00 0.00 C ATOM 1009 C PHE A 65 14.252 13.486 12.777 1.00 0.00 C ATOM 1010 O PHE A 65 14.408 14.661 12.441 1.00 0.00 O ATOM 1011 CB PHE A 65 14.737 11.647 11.160 1.00 0.00 C ATOM 1012 CG PHE A 65 14.255 11.142 9.822 1.00 0.00 C ATOM 1013 CD1 PHE A 65 14.399 11.939 8.680 1.00 0.00 C ATOM 1014 CD2 PHE A 65 13.663 9.878 9.722 1.00 0.00 C ATOM 1015 CE1 PHE A 65 13.950 11.471 7.439 1.00 0.00 C ATOM 1016 CE2 PHE A 65 13.215 9.409 8.482 1.00 0.00 C ATOM 1017 CZ PHE A 65 13.359 10.206 7.340 1.00 0.00 C ATOM 0 H PHE A 65 13.369 13.783 10.197 1.00 0.00 H new ATOM 0 HA PHE A 65 12.973 11.816 12.385 1.00 0.00 H new ATOM 0 HB2 PHE A 65 15.633 12.254 11.031 1.00 0.00 H new ATOM 0 HB3 PHE A 65 15.010 10.809 11.801 1.00 0.00 H new ATOM 0 HD1 PHE A 65 14.856 12.914 8.756 1.00 0.00 H new ATOM 0 HD2 PHE A 65 13.552 9.263 10.603 1.00 0.00 H new ATOM 0 HE1 PHE A 65 14.060 12.086 6.558 1.00 0.00 H new ATOM 0 HE2 PHE A 65 12.759 8.433 8.406 1.00 0.00 H new ATOM 0 HZ PHE A 65 13.014 9.845 6.382 1.00 0.00 H new ATOM 1027 N ASN A 66 14.602 13.023 13.973 1.00 0.00 N ATOM 1028 CA ASN A 66 15.207 13.893 14.974 1.00 0.00 C ATOM 1029 C ASN A 66 16.674 14.152 14.644 1.00 0.00 C ATOM 1030 O ASN A 66 17.308 13.370 13.935 1.00 0.00 O ATOM 1031 CB ASN A 66 15.100 13.250 16.358 1.00 0.00 C ATOM 1032 CG ASN A 66 15.460 14.267 17.435 1.00 0.00 C ATOM 1033 OD1 ASN A 66 14.787 15.288 17.575 1.00 0.00 O ATOM 1034 ND2 ASN A 66 16.487 14.049 18.211 1.00 0.00 N ATOM 0 H ASN A 66 14.478 12.055 14.271 1.00 0.00 H new ATOM 0 HA ASN A 66 14.673 14.843 14.972 1.00 0.00 H new ATOM 0 HB2 ASN A 66 14.087 12.881 16.519 1.00 0.00 H new ATOM 0 HB3 ASN A 66 15.767 12.390 16.421 1.00 0.00 H new ATOM 0 HD21 ASN A 66 16.732 14.725 18.934 1.00 0.00 H new ATOM 0 HD22 ASN A 66 17.044 13.203 18.094 1.00 0.00 H new ATOM 1041 N GLU A 67 17.207 15.252 15.164 1.00 0.00 N ATOM 1042 CA GLU A 67 18.601 15.602 14.920 1.00 0.00 C ATOM 1043 C GLU A 67 19.501 14.392 15.142 1.00 0.00 C ATOM 1044 O GLU A 67 20.383 14.104 14.333 1.00 0.00 O ATOM 1045 CB GLU A 67 19.027 16.735 15.856 1.00 0.00 C ATOM 1046 CG GLU A 67 20.553 16.828 15.885 1.00 0.00 C ATOM 1047 CD GLU A 67 20.981 18.194 16.411 1.00 0.00 C ATOM 1048 OE1 GLU A 67 20.111 18.958 16.796 1.00 0.00 O ATOM 1049 OE2 GLU A 67 22.173 18.456 16.422 1.00 0.00 O ATOM 0 H GLU A 67 16.699 15.912 15.753 1.00 0.00 H new ATOM 0 HA GLU A 67 18.699 15.930 13.885 1.00 0.00 H new ATOM 0 HB2 GLU A 67 18.601 17.680 15.518 1.00 0.00 H new ATOM 0 HB3 GLU A 67 18.644 16.554 16.860 1.00 0.00 H new ATOM 0 HG2 GLU A 67 20.962 16.041 16.518 1.00 0.00 H new ATOM 0 HG3 GLU A 67 20.954 16.672 14.884 1.00 0.00 H new ATOM 1056 N ASP A 68 19.273 13.686 16.246 1.00 0.00 N ATOM 1057 CA ASP A 68 20.071 12.508 16.566 1.00 0.00 C ATOM 1058 C ASP A 68 19.572 11.296 15.786 1.00 0.00 C ATOM 1059 O ASP A 68 18.885 10.434 16.334 1.00 0.00 O ATOM 1060 CB ASP A 68 19.996 12.220 18.067 1.00 0.00 C ATOM 1061 CG ASP A 68 20.957 11.093 18.430 1.00 0.00 C ATOM 1062 OD1 ASP A 68 22.118 11.383 18.664 1.00 0.00 O ATOM 1063 OD2 ASP A 68 20.517 9.956 18.471 1.00 0.00 O ATOM 0 H ASP A 68 18.548 13.907 16.929 1.00 0.00 H new ATOM 0 HA ASP A 68 21.106 12.704 16.286 1.00 0.00 H new ATOM 0 HB2 ASP A 68 20.246 13.118 18.631 1.00 0.00 H new ATOM 0 HB3 ASP A 68 18.978 11.944 18.342 1.00 0.00 H new ATOM 1068 N CYS A 69 19.922 11.236 14.505 1.00 0.00 N ATOM 1069 CA CYS A 69 19.515 10.116 13.665 1.00 0.00 C ATOM 1070 C CYS A 69 20.488 9.936 12.504 1.00 0.00 C ATOM 1071 O CYS A 69 20.565 10.778 11.609 1.00 0.00 O ATOM 1072 CB CYS A 69 18.106 10.356 13.121 1.00 0.00 C ATOM 1073 SG CYS A 69 16.996 10.780 14.486 1.00 0.00 S ATOM 0 H CYS A 69 20.482 11.944 14.029 1.00 0.00 H new ATOM 0 HA CYS A 69 19.520 9.210 14.272 1.00 0.00 H new ATOM 0 HB2 CYS A 69 18.121 11.161 12.387 1.00 0.00 H new ATOM 0 HB3 CYS A 69 17.746 9.464 12.609 1.00 0.00 H new ATOM 0 HG CYS A 69 16.707 9.706 15.159 1.00 0.00 H new ATOM 1079 N ASP A 70 21.226 8.830 12.523 1.00 0.00 N ATOM 1080 CA ASP A 70 22.191 8.551 11.466 1.00 0.00 C ATOM 1081 C ASP A 70 21.478 8.072 10.206 1.00 0.00 C ATOM 1082 O ASP A 70 21.408 6.873 9.937 1.00 0.00 O ATOM 1083 CB ASP A 70 23.182 7.483 11.932 1.00 0.00 C ATOM 1084 CG ASP A 70 24.374 7.427 10.983 1.00 0.00 C ATOM 1085 OD1 ASP A 70 24.410 8.227 10.061 1.00 0.00 O ATOM 1086 OD2 ASP A 70 25.234 6.587 11.190 1.00 0.00 O ATOM 0 H ASP A 70 21.175 8.118 13.252 1.00 0.00 H new ATOM 0 HA ASP A 70 22.730 9.470 11.238 1.00 0.00 H new ATOM 0 HB2 ASP A 70 23.522 7.707 12.943 1.00 0.00 H new ATOM 0 HB3 ASP A 70 22.691 6.511 11.969 1.00 0.00 H new ATOM 1091 N ILE A 71 20.947 9.019 9.438 1.00 0.00 N ATOM 1092 CA ILE A 71 20.226 8.683 8.216 1.00 0.00 C ATOM 1093 C ILE A 71 20.839 9.400 7.017 1.00 0.00 C ATOM 1094 O ILE A 71 21.534 10.404 7.172 1.00 0.00 O ATOM 1095 CB ILE A 71 18.755 9.078 8.353 1.00 0.00 C ATOM 1096 CG1 ILE A 71 18.655 10.586 8.598 1.00 0.00 C ATOM 1097 CG2 ILE A 71 18.134 8.329 9.534 1.00 0.00 C ATOM 1098 CD1 ILE A 71 17.187 10.978 8.783 1.00 0.00 C ATOM 0 H ILE A 71 21.002 10.018 9.639 1.00 0.00 H new ATOM 0 HA ILE A 71 20.300 7.607 8.057 1.00 0.00 H new ATOM 0 HB ILE A 71 18.222 8.820 7.438 1.00 0.00 H new ATOM 0 HG12 ILE A 71 19.230 10.860 9.483 1.00 0.00 H new ATOM 0 HG13 ILE A 71 19.085 11.131 7.757 1.00 0.00 H new ATOM 0 HG21 ILE A 71 17.085 8.610 9.632 1.00 0.00 H new ATOM 0 HG22 ILE A 71 18.207 7.255 9.363 1.00 0.00 H new ATOM 0 HG23 ILE A 71 18.666 8.588 10.449 1.00 0.00 H new ATOM 0 HD11 ILE A 71 17.116 12.052 8.957 1.00 0.00 H new ATOM 0 HD12 ILE A 71 16.625 10.718 7.886 1.00 0.00 H new ATOM 0 HD13 ILE A 71 16.773 10.444 9.638 1.00 0.00 H new ATOM 1110 N LYS A 72 20.576 8.879 5.822 1.00 0.00 N ATOM 1111 CA LYS A 72 21.112 9.477 4.605 1.00 0.00 C ATOM 1112 C LYS A 72 20.014 9.637 3.556 1.00 0.00 C ATOM 1113 O LYS A 72 18.903 9.137 3.726 1.00 0.00 O ATOM 1114 CB LYS A 72 22.232 8.600 4.043 1.00 0.00 C ATOM 1115 CG LYS A 72 23.393 8.554 5.036 1.00 0.00 C ATOM 1116 CD LYS A 72 24.410 7.503 4.586 1.00 0.00 C ATOM 1117 CE LYS A 72 24.909 7.843 3.181 1.00 0.00 C ATOM 1118 NZ LYS A 72 26.231 7.193 2.954 1.00 0.00 N ATOM 0 H LYS A 72 20.000 8.051 5.671 1.00 0.00 H new ATOM 0 HA LYS A 72 21.509 10.462 4.851 1.00 0.00 H new ATOM 0 HB2 LYS A 72 21.860 7.593 3.856 1.00 0.00 H new ATOM 0 HB3 LYS A 72 22.573 8.997 3.087 1.00 0.00 H new ATOM 0 HG2 LYS A 72 23.870 9.532 5.100 1.00 0.00 H new ATOM 0 HG3 LYS A 72 23.023 8.314 6.033 1.00 0.00 H new ATOM 0 HD2 LYS A 72 25.248 7.471 5.283 1.00 0.00 H new ATOM 0 HD3 LYS A 72 23.953 6.514 4.591 1.00 0.00 H new ATOM 0 HE2 LYS A 72 24.191 7.502 2.436 1.00 0.00 H new ATOM 0 HE3 LYS A 72 24.998 8.923 3.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 26.572 7.423 1.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 26.914 7.539 3.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 26.131 6.162 3.047 1.00 0.00 H new ATOM 1132 N ALA A 73 20.337 10.335 2.472 1.00 0.00 N ATOM 1133 CA ALA A 73 19.369 10.557 1.403 1.00 0.00 C ATOM 1134 C ALA A 73 19.750 9.753 0.163 1.00 0.00 C ATOM 1135 O ALA A 73 20.917 9.709 -0.226 1.00 0.00 O ATOM 1136 CB ALA A 73 19.312 12.045 1.052 1.00 0.00 C ATOM 0 H ALA A 73 21.253 10.754 2.311 1.00 0.00 H new ATOM 0 HA ALA A 73 18.389 10.228 1.749 1.00 0.00 H new ATOM 0 HB1 ALA A 73 18.587 12.203 0.253 1.00 0.00 H new ATOM 0 HB2 ALA A 73 19.013 12.615 1.931 1.00 0.00 H new ATOM 0 HB3 ALA A 73 20.295 12.379 0.721 1.00 0.00 H new ATOM 1142 N LEU A 74 18.757 9.120 -0.453 1.00 0.00 N ATOM 1143 CA LEU A 74 18.999 8.327 -1.653 1.00 0.00 C ATOM 1144 C LEU A 74 18.319 8.963 -2.863 1.00 0.00 C ATOM 1145 O LEU A 74 17.574 9.934 -2.728 1.00 0.00 O ATOM 1146 CB LEU A 74 18.470 6.905 -1.455 1.00 0.00 C ATOM 1147 CG LEU A 74 18.889 6.394 -0.075 1.00 0.00 C ATOM 1148 CD1 LEU A 74 18.204 5.056 0.206 1.00 0.00 C ATOM 1149 CD2 LEU A 74 20.407 6.204 -0.044 1.00 0.00 C ATOM 0 H LEU A 74 17.785 9.140 -0.145 1.00 0.00 H new ATOM 0 HA LEU A 74 20.074 8.292 -1.832 1.00 0.00 H new ATOM 0 HB2 LEU A 74 17.384 6.894 -1.545 1.00 0.00 H new ATOM 0 HB3 LEU A 74 18.861 6.248 -2.232 1.00 0.00 H new ATOM 0 HG LEU A 74 18.595 7.118 0.685 1.00 0.00 H new ATOM 0 HD11 LEU A 74 18.503 4.693 1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 74 17.122 5.189 0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 74 18.497 4.331 -0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 74 20.708 5.840 0.938 1.00 0.00 H new ATOM 0 HD22 LEU A 74 20.699 5.480 -0.805 1.00 0.00 H new ATOM 0 HD23 LEU A 74 20.897 7.157 -0.244 1.00 0.00 H new ATOM 1161 N GLY A 75 18.581 8.408 -4.041 1.00 0.00 N ATOM 1162 CA GLY A 75 17.973 8.919 -5.265 1.00 0.00 C ATOM 1163 C GLY A 75 17.925 10.443 -5.254 1.00 0.00 C ATOM 1164 O GLY A 75 18.883 11.101 -4.851 1.00 0.00 O ATOM 0 H GLY A 75 19.204 7.612 -4.175 1.00 0.00 H new ATOM 0 HA2 GLY A 75 18.542 8.575 -6.129 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.964 8.520 -5.368 1.00 0.00 H new ATOM 1168 N LYS A 76 16.801 10.996 -5.700 1.00 0.00 N ATOM 1169 CA LYS A 76 16.639 12.445 -5.737 1.00 0.00 C ATOM 1170 C LYS A 76 16.108 12.959 -4.403 1.00 0.00 C ATOM 1171 O LYS A 76 15.951 14.164 -4.208 1.00 0.00 O ATOM 1172 CB LYS A 76 15.671 12.834 -6.857 1.00 0.00 C ATOM 1173 CG LYS A 76 14.272 12.312 -6.527 1.00 0.00 C ATOM 1174 CD LYS A 76 13.352 12.521 -7.731 1.00 0.00 C ATOM 1175 CE LYS A 76 13.276 14.012 -8.064 1.00 0.00 C ATOM 1176 NZ LYS A 76 13.287 14.804 -6.802 1.00 0.00 N ATOM 0 H LYS A 76 15.996 10.468 -6.038 1.00 0.00 H new ATOM 0 HA LYS A 76 17.613 12.896 -5.926 1.00 0.00 H new ATOM 0 HB2 LYS A 76 15.648 13.918 -6.972 1.00 0.00 H new ATOM 0 HB3 LYS A 76 16.011 12.419 -7.806 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.318 11.254 -6.271 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.874 12.834 -5.657 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.728 11.965 -8.590 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.356 12.135 -7.512 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.119 14.298 -8.693 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.369 14.223 -8.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.857 15.735 -6.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.744 14.301 -6.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.268 14.929 -6.479 1.00 0.00 H new ATOM 1190 N THR A 77 15.835 12.035 -3.486 1.00 0.00 N ATOM 1191 CA THR A 77 15.307 12.405 -2.178 1.00 0.00 C ATOM 1192 C THR A 77 16.068 13.599 -1.611 1.00 0.00 C ATOM 1193 O THR A 77 17.271 13.518 -1.361 1.00 0.00 O ATOM 1194 CB THR A 77 15.421 11.220 -1.216 1.00 0.00 C ATOM 1195 OG1 THR A 77 14.830 10.072 -1.808 1.00 0.00 O ATOM 1196 CG2 THR A 77 14.700 11.551 0.092 1.00 0.00 C ATOM 0 H THR A 77 15.969 11.033 -3.623 1.00 0.00 H new ATOM 0 HA THR A 77 14.259 12.680 -2.294 1.00 0.00 H new ATOM 0 HB THR A 77 16.472 11.021 -1.008 1.00 0.00 H new ATOM 0 HG1 THR A 77 15.503 9.593 -2.335 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.782 10.707 0.776 1.00 0.00 H new ATOM 0 HG22 THR A 77 15.155 12.431 0.546 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.648 11.751 -0.113 1.00 0.00 H new ATOM 1204 N LYS A 78 15.359 14.705 -1.413 1.00 0.00 N ATOM 1205 CA LYS A 78 15.977 15.909 -0.870 1.00 0.00 C ATOM 1206 C LYS A 78 16.073 15.822 0.650 1.00 0.00 C ATOM 1207 O LYS A 78 15.079 15.572 1.330 1.00 0.00 O ATOM 1208 CB LYS A 78 15.159 17.140 -1.263 1.00 0.00 C ATOM 1209 CG LYS A 78 15.960 18.406 -0.951 1.00 0.00 C ATOM 1210 CD LYS A 78 16.894 18.722 -2.120 1.00 0.00 C ATOM 1211 CE LYS A 78 17.619 20.042 -1.852 1.00 0.00 C ATOM 1212 NZ LYS A 78 16.619 21.115 -1.585 1.00 0.00 N ATOM 0 H LYS A 78 14.364 14.793 -1.618 1.00 0.00 H new ATOM 0 HA LYS A 78 16.982 15.996 -1.282 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.915 17.104 -2.325 1.00 0.00 H new ATOM 0 HB3 LYS A 78 14.215 17.151 -0.719 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.284 19.243 -0.776 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.538 18.267 -0.037 1.00 0.00 H new ATOM 0 HD2 LYS A 78 17.618 17.917 -2.249 1.00 0.00 H new ATOM 0 HD3 LYS A 78 16.324 18.790 -3.047 1.00 0.00 H new ATOM 0 HE2 LYS A 78 18.289 19.934 -0.999 1.00 0.00 H new ATOM 0 HE3 LYS A 78 18.236 20.311 -2.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 17.038 22.042 -1.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 15.781 20.965 -2.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 16.340 21.088 -0.584 1.00 0.00 H new ATOM 1226 N LEU A 79 17.277 16.030 1.175 1.00 0.00 N ATOM 1227 CA LEU A 79 17.492 15.961 2.615 1.00 0.00 C ATOM 1228 C LEU A 79 18.046 17.282 3.139 1.00 0.00 C ATOM 1229 O LEU A 79 19.045 17.792 2.633 1.00 0.00 O ATOM 1230 CB LEU A 79 18.469 14.831 2.944 1.00 0.00 C ATOM 1231 CG LEU A 79 18.782 14.843 4.440 1.00 0.00 C ATOM 1232 CD1 LEU A 79 17.480 14.738 5.235 1.00 0.00 C ATOM 1233 CD2 LEU A 79 19.684 13.656 4.782 1.00 0.00 C ATOM 0 H LEU A 79 18.111 16.246 0.630 1.00 0.00 H new ATOM 0 HA LEU A 79 16.534 15.765 3.096 1.00 0.00 H new ATOM 0 HB2 LEU A 79 18.039 13.871 2.660 1.00 0.00 H new ATOM 0 HB3 LEU A 79 19.387 14.952 2.369 1.00 0.00 H new ATOM 0 HG LEU A 79 19.291 15.772 4.696 1.00 0.00 H new ATOM 0 HD11 LEU A 79 17.703 14.747 6.302 1.00 0.00 H new ATOM 0 HD12 LEU A 79 16.836 15.583 4.992 1.00 0.00 H new ATOM 0 HD13 LEU A 79 16.971 13.809 4.978 1.00 0.00 H new ATOM 0 HD21 LEU A 79 19.907 13.664 5.849 1.00 0.00 H new ATOM 0 HD22 LEU A 79 19.176 12.727 4.525 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.613 13.730 4.216 1.00 0.00 H new ATOM 1245 N GLU A 80 17.389 17.831 4.157 1.00 0.00 N ATOM 1246 CA GLU A 80 17.824 19.093 4.741 1.00 0.00 C ATOM 1247 C GLU A 80 17.510 19.129 6.234 1.00 0.00 C ATOM 1248 O GLU A 80 16.590 18.457 6.700 1.00 0.00 O ATOM 1249 CB GLU A 80 17.126 20.261 4.043 1.00 0.00 C ATOM 1250 CG GLU A 80 15.609 20.062 4.108 1.00 0.00 C ATOM 1251 CD GLU A 80 14.905 21.175 3.340 1.00 0.00 C ATOM 1252 OE1 GLU A 80 15.585 22.085 2.896 1.00 0.00 O ATOM 1253 OE2 GLU A 80 13.695 21.100 3.206 1.00 0.00 O ATOM 0 H GLU A 80 16.560 17.425 4.591 1.00 0.00 H new ATOM 0 HA GLU A 80 18.902 19.181 4.605 1.00 0.00 H new ATOM 0 HB2 GLU A 80 17.401 21.201 4.521 1.00 0.00 H new ATOM 0 HB3 GLU A 80 17.451 20.325 3.005 1.00 0.00 H new ATOM 0 HG2 GLU A 80 15.342 19.093 3.686 1.00 0.00 H new ATOM 0 HG3 GLU A 80 15.278 20.060 5.147 1.00 0.00 H new ATOM 1260 N GLN A 81 18.281 19.916 6.977 1.00 0.00 N ATOM 1261 CA GLN A 81 18.074 20.030 8.417 1.00 0.00 C ATOM 1262 C GLN A 81 17.451 21.379 8.763 1.00 0.00 C ATOM 1263 O GLN A 81 17.647 22.365 8.053 1.00 0.00 O ATOM 1264 CB GLN A 81 19.409 19.880 9.148 1.00 0.00 C ATOM 1265 CG GLN A 81 19.159 19.792 10.655 1.00 0.00 C ATOM 1266 CD GLN A 81 20.478 19.591 11.392 1.00 0.00 C ATOM 1267 OE1 GLN A 81 21.516 19.380 10.764 1.00 0.00 O ATOM 1268 NE2 GLN A 81 20.501 19.645 12.696 1.00 0.00 N ATOM 0 H GLN A 81 19.048 20.480 6.611 1.00 0.00 H new ATOM 0 HA GLN A 81 17.395 19.238 8.733 1.00 0.00 H new ATOM 0 HB2 GLN A 81 19.927 18.986 8.802 1.00 0.00 H new ATOM 0 HB3 GLN A 81 20.055 20.729 8.925 1.00 0.00 H new ATOM 0 HG2 GLN A 81 18.673 20.703 11.005 1.00 0.00 H new ATOM 0 HG3 GLN A 81 18.482 18.966 10.872 1.00 0.00 H new ATOM 0 HE21 GLN A 81 19.640 19.820 13.214 1.00 0.00 H new ATOM 0 HE22 GLN A 81 21.380 19.512 13.197 1.00 0.00 H new ATOM 1277 N GLN A 82 16.700 21.413 9.858 1.00 0.00 N ATOM 1278 CA GLN A 82 16.051 22.646 10.290 1.00 0.00 C ATOM 1279 C GLN A 82 16.806 23.266 11.463 1.00 0.00 C ATOM 1280 O GLN A 82 17.649 22.619 12.082 1.00 0.00 O ATOM 1281 CB GLN A 82 14.607 22.358 10.705 1.00 0.00 C ATOM 1282 CG GLN A 82 14.023 21.272 9.800 1.00 0.00 C ATOM 1283 CD GLN A 82 14.189 21.667 8.337 1.00 0.00 C ATOM 1284 OE1 GLN A 82 14.557 20.768 7.465 1.00 0.00 O flip ATOM 1285 NE2 GLN A 82 13.978 22.825 7.978 1.00 0.00 N flip ATOM 0 H GLN A 82 16.526 20.608 10.459 1.00 0.00 H new ATOM 0 HA GLN A 82 16.056 23.349 9.457 1.00 0.00 H new ATOM 0 HB2 GLN A 82 14.574 22.036 11.746 1.00 0.00 H new ATOM 0 HB3 GLN A 82 14.009 23.266 10.634 1.00 0.00 H new ATOM 0 HG2 GLN A 82 14.524 20.322 9.988 1.00 0.00 H new ATOM 0 HG3 GLN A 82 12.967 21.126 10.028 1.00 0.00 H new ATOM 0 HE21 GLN A 82 13.690 23.526 8.661 1.00 0.00 H new ATOM 0 HE22 GLN A 82 14.091 23.084 6.998 1.00 0.00 H new ATOM 1294 N GLU A 83 16.496 24.524 11.761 1.00 0.00 N ATOM 1295 CA GLU A 83 17.153 25.222 12.860 1.00 0.00 C ATOM 1296 C GLU A 83 16.826 24.551 14.191 1.00 0.00 C ATOM 1297 O GLU A 83 17.666 24.486 15.088 1.00 0.00 O ATOM 1298 CB GLU A 83 16.698 26.682 12.898 1.00 0.00 C ATOM 1299 CG GLU A 83 17.534 27.450 13.923 1.00 0.00 C ATOM 1300 CD GLU A 83 17.037 28.888 14.028 1.00 0.00 C ATOM 1301 OE1 GLU A 83 16.056 29.204 13.374 1.00 0.00 O ATOM 1302 OE2 GLU A 83 17.645 29.652 14.759 1.00 0.00 O ATOM 0 H GLU A 83 15.800 25.077 11.261 1.00 0.00 H new ATOM 0 HA GLU A 83 18.230 25.182 12.699 1.00 0.00 H new ATOM 0 HB2 GLU A 83 16.807 27.134 11.912 1.00 0.00 H new ATOM 0 HB3 GLU A 83 15.641 26.738 13.159 1.00 0.00 H new ATOM 0 HG2 GLU A 83 17.470 26.962 14.896 1.00 0.00 H new ATOM 0 HG3 GLU A 83 18.584 27.440 13.630 1.00 0.00 H new ATOM 1309 N ASN A 84 15.599 24.053 14.311 1.00 0.00 N ATOM 1310 CA ASN A 84 15.169 23.392 15.537 1.00 0.00 C ATOM 1311 C ASN A 84 15.994 22.133 15.783 1.00 0.00 C ATOM 1312 O ASN A 84 16.137 21.686 16.922 1.00 0.00 O ATOM 1313 CB ASN A 84 13.688 23.021 15.439 1.00 0.00 C ATOM 1314 CG ASN A 84 13.430 22.244 14.153 1.00 0.00 C ATOM 1315 OD1 ASN A 84 14.135 21.177 13.894 1.00 0.00 O flip ATOM 1316 ND2 ASN A 84 12.562 22.618 13.364 1.00 0.00 N flip ATOM 0 H ASN A 84 14.890 24.094 13.579 1.00 0.00 H new ATOM 0 HA ASN A 84 15.317 24.080 16.370 1.00 0.00 H new ATOM 0 HB2 ASN A 84 13.397 22.421 16.301 1.00 0.00 H new ATOM 0 HB3 ASN A 84 13.076 23.923 15.458 1.00 0.00 H new ATOM 0 HD21 ASN A 84 12.012 23.452 13.569 1.00 0.00 H new ATOM 0 HD22 ASN A 84 12.393 22.093 12.506 1.00 0.00 H new ATOM 1323 N GLY A 85 16.535 21.565 14.710 1.00 0.00 N ATOM 1324 CA GLY A 85 17.356 20.366 14.825 1.00 0.00 C ATOM 1325 C GLY A 85 16.564 19.124 14.429 1.00 0.00 C ATOM 1326 O GLY A 85 16.358 18.223 15.242 1.00 0.00 O ATOM 0 H GLY A 85 16.421 21.913 13.758 1.00 0.00 H new ATOM 0 HA2 GLY A 85 18.235 20.460 14.188 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.714 20.263 15.849 1.00 0.00 H new ATOM 1330 N GLU A 86 16.121 19.086 13.178 1.00 0.00 N ATOM 1331 CA GLU A 86 15.370 17.939 12.678 1.00 0.00 C ATOM 1332 C GLU A 86 15.709 17.672 11.215 1.00 0.00 C ATOM 1333 O GLU A 86 15.971 18.599 10.449 1.00 0.00 O ATOM 1334 CB GLU A 86 13.869 18.198 12.816 1.00 0.00 C ATOM 1335 CG GLU A 86 13.482 18.190 14.295 1.00 0.00 C ATOM 1336 CD GLU A 86 11.978 18.392 14.442 1.00 0.00 C ATOM 1337 OE1 GLU A 86 11.337 18.672 13.441 1.00 0.00 O ATOM 1338 OE2 GLU A 86 11.487 18.264 15.551 1.00 0.00 O ATOM 0 H GLU A 86 16.267 19.830 12.495 1.00 0.00 H new ATOM 0 HA GLU A 86 15.644 17.064 13.268 1.00 0.00 H new ATOM 0 HB2 GLU A 86 13.612 19.158 12.368 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.307 17.435 12.278 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.777 17.245 14.751 1.00 0.00 H new ATOM 0 HG3 GLU A 86 14.017 18.979 14.823 1.00 0.00 H new ATOM 1345 N TRP A 87 15.700 16.400 10.833 1.00 0.00 N ATOM 1346 CA TRP A 87 16.002 16.022 9.457 1.00 0.00 C ATOM 1347 C TRP A 87 14.720 15.696 8.699 1.00 0.00 C ATOM 1348 O TRP A 87 13.836 15.014 9.218 1.00 0.00 O ATOM 1349 CB TRP A 87 16.931 14.806 9.439 1.00 0.00 C ATOM 1350 CG TRP A 87 18.279 15.200 9.951 1.00 0.00 C ATOM 1351 CD1 TRP A 87 18.705 15.032 11.224 1.00 0.00 C ATOM 1352 CD2 TRP A 87 19.376 15.836 9.232 1.00 0.00 C ATOM 1353 NE1 TRP A 87 19.998 15.514 11.328 1.00 0.00 N ATOM 1354 CE2 TRP A 87 20.455 16.019 10.128 1.00 0.00 C ATOM 1355 CE3 TRP A 87 19.536 16.268 7.903 1.00 0.00 C ATOM 1356 CZ2 TRP A 87 21.653 16.604 9.719 1.00 0.00 C ATOM 1357 CZ3 TRP A 87 20.742 16.857 7.488 1.00 0.00 C ATOM 1358 CH2 TRP A 87 21.798 17.024 8.394 1.00 0.00 C ATOM 0 H TRP A 87 15.488 15.617 11.452 1.00 0.00 H new ATOM 0 HA TRP A 87 16.496 16.862 8.970 1.00 0.00 H new ATOM 0 HB2 TRP A 87 16.515 14.008 10.055 1.00 0.00 H new ATOM 0 HB3 TRP A 87 17.016 14.415 8.425 1.00 0.00 H new ATOM 0 HD1 TRP A 87 18.131 14.594 12.027 1.00 0.00 H new ATOM 0 HE1 TRP A 87 20.547 15.498 12.188 1.00 0.00 H new ATOM 0 HE3 TRP A 87 18.727 16.146 7.198 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 22.463 16.732 10.422 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 20.856 17.183 6.465 1.00 0.00 H new ATOM 0 HH2 TRP A 87 22.723 17.477 8.069 1.00 0.00 H new ATOM 1369 N VAL A 88 14.624 16.188 7.467 1.00 0.00 N ATOM 1370 CA VAL A 88 13.440 15.948 6.650 1.00 0.00 C ATOM 1371 C VAL A 88 13.832 15.346 5.305 1.00 0.00 C ATOM 1372 O VAL A 88 14.825 15.747 4.699 1.00 0.00 O ATOM 1373 CB VAL A 88 12.685 17.258 6.426 1.00 0.00 C ATOM 1374 CG1 VAL A 88 11.515 17.016 5.472 1.00 0.00 C ATOM 1375 CG2 VAL A 88 12.154 17.775 7.765 1.00 0.00 C ATOM 0 H VAL A 88 15.346 16.751 7.016 1.00 0.00 H new ATOM 0 HA VAL A 88 12.795 15.244 7.176 1.00 0.00 H new ATOM 0 HB VAL A 88 13.359 17.997 5.993 1.00 0.00 H new ATOM 0 HG11 VAL A 88 10.977 17.950 5.312 1.00 0.00 H new ATOM 0 HG12 VAL A 88 11.893 16.648 4.518 1.00 0.00 H new ATOM 0 HG13 VAL A 88 10.840 16.277 5.904 1.00 0.00 H new ATOM 0 HG21 VAL A 88 11.615 18.709 7.607 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.480 17.036 8.199 1.00 0.00 H new ATOM 0 HG23 VAL A 88 12.988 17.948 8.445 1.00 0.00 H new ATOM 1385 N ALA A 89 13.044 14.380 4.842 1.00 0.00 N ATOM 1386 CA ALA A 89 13.315 13.731 3.565 1.00 0.00 C ATOM 1387 C ALA A 89 12.015 13.461 2.815 1.00 0.00 C ATOM 1388 O ALA A 89 11.239 12.584 3.194 1.00 0.00 O ATOM 1389 CB ALA A 89 14.056 12.413 3.796 1.00 0.00 C ATOM 0 H ALA A 89 12.218 14.032 5.329 1.00 0.00 H new ATOM 0 HA ALA A 89 13.936 14.396 2.965 1.00 0.00 H new ATOM 0 HB1 ALA A 89 14.255 11.934 2.837 1.00 0.00 H new ATOM 0 HB2 ALA A 89 14.999 12.610 4.305 1.00 0.00 H new ATOM 0 HB3 ALA A 89 13.443 11.754 4.410 1.00 0.00 H new ATOM 1395 N SER A 90 11.784 14.221 1.749 1.00 0.00 N ATOM 1396 CA SER A 90 10.562 14.070 0.967 1.00 0.00 C ATOM 1397 C SER A 90 10.888 13.668 -0.468 1.00 0.00 C ATOM 1398 O SER A 90 11.884 14.114 -1.036 1.00 0.00 O ATOM 1399 CB SER A 90 9.778 15.383 0.964 1.00 0.00 C ATOM 1400 OG SER A 90 10.467 16.338 0.169 1.00 0.00 O ATOM 0 H SER A 90 12.421 14.942 1.409 1.00 0.00 H new ATOM 0 HA SER A 90 9.957 13.286 1.423 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.775 15.220 0.570 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.664 15.754 1.982 1.00 0.00 H new ATOM 0 HG SER A 90 9.967 17.181 0.163 1.00 0.00 H new ATOM 1406 N VAL A 91 10.040 12.825 -1.047 1.00 0.00 N ATOM 1407 CA VAL A 91 10.238 12.380 -2.421 1.00 0.00 C ATOM 1408 C VAL A 91 8.944 11.804 -2.987 1.00 0.00 C ATOM 1409 O VAL A 91 8.167 11.174 -2.269 1.00 0.00 O ATOM 1410 CB VAL A 91 11.337 11.319 -2.474 1.00 0.00 C ATOM 1411 CG1 VAL A 91 10.815 10.011 -1.875 1.00 0.00 C ATOM 1412 CG2 VAL A 91 11.749 11.084 -3.929 1.00 0.00 C ATOM 0 H VAL A 91 9.214 12.438 -0.590 1.00 0.00 H new ATOM 0 HA VAL A 91 10.535 13.239 -3.023 1.00 0.00 H new ATOM 0 HB VAL A 91 12.199 11.661 -1.902 1.00 0.00 H new ATOM 0 HG11 VAL A 91 11.599 9.255 -1.913 1.00 0.00 H new ATOM 0 HG12 VAL A 91 10.521 10.177 -0.839 1.00 0.00 H new ATOM 0 HG13 VAL A 91 9.952 9.668 -2.446 1.00 0.00 H new ATOM 0 HG21 VAL A 91 12.533 10.327 -3.968 1.00 0.00 H new ATOM 0 HG22 VAL A 91 10.886 10.742 -4.501 1.00 0.00 H new ATOM 0 HG23 VAL A 91 12.122 12.015 -4.356 1.00 0.00 H new ATOM 1422 N VAL A 92 8.717 12.025 -4.278 1.00 0.00 N ATOM 1423 CA VAL A 92 7.511 11.525 -4.928 1.00 0.00 C ATOM 1424 C VAL A 92 7.825 10.292 -5.769 1.00 0.00 C ATOM 1425 O VAL A 92 8.811 10.265 -6.506 1.00 0.00 O ATOM 1426 CB VAL A 92 6.910 12.613 -5.819 1.00 0.00 C ATOM 1427 CG1 VAL A 92 5.553 12.149 -6.349 1.00 0.00 C ATOM 1428 CG2 VAL A 92 6.727 13.895 -5.003 1.00 0.00 C ATOM 0 H VAL A 92 9.347 12.543 -4.891 1.00 0.00 H new ATOM 0 HA VAL A 92 6.793 11.249 -4.156 1.00 0.00 H new ATOM 0 HB VAL A 92 7.579 12.806 -6.657 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.126 12.925 -6.984 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.682 11.236 -6.930 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.882 11.955 -5.512 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.299 14.672 -5.637 1.00 0.00 H new ATOM 0 HG22 VAL A 92 6.058 13.700 -4.165 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.694 14.227 -4.626 1.00 0.00 H new ATOM 1438 N VAL A 93 6.980 9.273 -5.654 1.00 0.00 N ATOM 1439 CA VAL A 93 7.176 8.041 -6.408 1.00 0.00 C ATOM 1440 C VAL A 93 6.039 7.839 -7.405 1.00 0.00 C ATOM 1441 O VAL A 93 4.865 7.905 -7.044 1.00 0.00 O ATOM 1442 CB VAL A 93 7.235 6.847 -5.454 1.00 0.00 C ATOM 1443 CG1 VAL A 93 7.591 5.583 -6.238 1.00 0.00 C ATOM 1444 CG2 VAL A 93 8.303 7.102 -4.387 1.00 0.00 C ATOM 0 H VAL A 93 6.158 9.275 -5.050 1.00 0.00 H new ATOM 0 HA VAL A 93 8.117 8.117 -6.953 1.00 0.00 H new ATOM 0 HB VAL A 93 6.264 6.716 -4.976 1.00 0.00 H new ATOM 0 HG11 VAL A 93 7.633 4.733 -5.558 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.833 5.401 -6.999 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.562 5.713 -6.717 1.00 0.00 H new ATOM 0 HG21 VAL A 93 8.347 6.252 -3.706 1.00 0.00 H new ATOM 0 HG22 VAL A 93 9.273 7.233 -4.867 1.00 0.00 H new ATOM 0 HG23 VAL A 93 8.051 8.003 -3.828 1.00 0.00 H new ATOM 1454 N TYR A 94 6.397 7.593 -8.661 1.00 0.00 N ATOM 1455 CA TYR A 94 5.396 7.384 -9.702 1.00 0.00 C ATOM 1456 C TYR A 94 5.038 5.905 -9.808 1.00 0.00 C ATOM 1457 O TYR A 94 5.819 5.036 -9.421 1.00 0.00 O ATOM 1458 CB TYR A 94 5.928 7.883 -11.046 1.00 0.00 C ATOM 1459 CG TYR A 94 6.173 9.370 -10.969 1.00 0.00 C ATOM 1460 CD1 TYR A 94 5.097 10.247 -10.787 1.00 0.00 C ATOM 1461 CD2 TYR A 94 7.476 9.872 -11.067 1.00 0.00 C ATOM 1462 CE1 TYR A 94 5.324 11.626 -10.707 1.00 0.00 C ATOM 1463 CE2 TYR A 94 7.703 11.251 -10.986 1.00 0.00 C ATOM 1464 CZ TYR A 94 6.626 12.128 -10.807 1.00 0.00 C ATOM 1465 OH TYR A 94 6.850 13.488 -10.728 1.00 0.00 O ATOM 0 H TYR A 94 7.364 7.534 -8.981 1.00 0.00 H new ATOM 0 HA TYR A 94 4.499 7.945 -9.438 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.853 7.364 -11.299 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.212 7.662 -11.837 1.00 0.00 H new ATOM 0 HD1 TYR A 94 4.092 9.860 -10.708 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.306 9.195 -11.205 1.00 0.00 H new ATOM 0 HE1 TYR A 94 4.494 12.303 -10.568 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.708 11.638 -11.062 1.00 0.00 H new ATOM 0 HH TYR A 94 7.810 13.667 -10.815 1.00 0.00 H new ATOM 1475 N PRO A 95 3.875 5.612 -10.322 1.00 0.00 N ATOM 1476 CA PRO A 95 3.385 4.209 -10.465 1.00 0.00 C ATOM 1477 C PRO A 95 4.265 3.387 -11.402 1.00 0.00 C ATOM 1478 O PRO A 95 4.951 3.934 -12.266 1.00 0.00 O ATOM 1479 CB PRO A 95 1.972 4.364 -11.037 1.00 0.00 C ATOM 1480 CG PRO A 95 1.590 5.787 -10.798 1.00 0.00 C ATOM 1481 CD PRO A 95 2.882 6.602 -10.843 1.00 0.00 C ATOM 0 HA PRO A 95 3.403 3.674 -9.515 1.00 0.00 H new ATOM 0 HB2 PRO A 95 1.953 4.127 -12.101 1.00 0.00 H new ATOM 0 HB3 PRO A 95 1.275 3.684 -10.547 1.00 0.00 H new ATOM 0 HG2 PRO A 95 0.888 6.132 -11.557 1.00 0.00 H new ATOM 0 HG3 PRO A 95 1.096 5.898 -9.833 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.124 6.933 -11.853 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.826 7.495 -10.220 1.00 0.00 H new ATOM 1489 N CYS A 96 4.241 2.071 -11.222 1.00 0.00 N ATOM 1490 CA CYS A 96 5.038 1.181 -12.058 1.00 0.00 C ATOM 1491 C CYS A 96 6.510 1.582 -12.014 1.00 0.00 C ATOM 1492 O CYS A 96 7.277 1.268 -12.925 1.00 0.00 O ATOM 1493 CB CYS A 96 4.536 1.230 -13.501 1.00 0.00 C ATOM 1494 SG CYS A 96 5.345 -0.069 -14.468 1.00 0.00 S ATOM 0 H CYS A 96 3.683 1.600 -10.510 1.00 0.00 H new ATOM 0 HA CYS A 96 4.938 0.166 -11.675 1.00 0.00 H new ATOM 0 HB2 CYS A 96 3.455 1.096 -13.525 1.00 0.00 H new ATOM 0 HB3 CYS A 96 4.746 2.207 -13.937 1.00 0.00 H new ATOM 0 HG CYS A 96 6.585 -0.181 -14.093 1.00 0.00 H new ATOM 1500 N GLU A 97 6.896 2.280 -10.950 1.00 0.00 N ATOM 1501 CA GLU A 97 8.276 2.721 -10.796 1.00 0.00 C ATOM 1502 C GLU A 97 8.692 2.682 -9.329 1.00 0.00 C ATOM 1503 O GLU A 97 7.883 2.942 -8.438 1.00 0.00 O ATOM 1504 CB GLU A 97 8.432 4.144 -11.335 1.00 0.00 C ATOM 1505 CG GLU A 97 8.195 4.147 -12.847 1.00 0.00 C ATOM 1506 CD GLU A 97 8.472 5.535 -13.414 1.00 0.00 C ATOM 1507 OE1 GLU A 97 7.618 6.394 -13.268 1.00 0.00 O ATOM 1508 OE2 GLU A 97 9.533 5.718 -13.987 1.00 0.00 O ATOM 0 H GLU A 97 6.276 2.550 -10.187 1.00 0.00 H new ATOM 0 HA GLU A 97 8.918 2.046 -11.361 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.722 4.810 -10.844 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.430 4.521 -11.112 1.00 0.00 H new ATOM 0 HG2 GLU A 97 8.843 3.413 -13.327 1.00 0.00 H new ATOM 0 HG3 GLU A 97 7.167 3.855 -13.063 1.00 0.00 H new ATOM 1515 N THR A 98 9.957 2.356 -9.086 1.00 0.00 N ATOM 1516 CA THR A 98 10.470 2.288 -7.722 1.00 0.00 C ATOM 1517 C THR A 98 11.691 3.188 -7.564 1.00 0.00 C ATOM 1518 O THR A 98 12.551 3.242 -8.442 1.00 0.00 O ATOM 1519 CB THR A 98 10.847 0.845 -7.377 1.00 0.00 C ATOM 1520 OG1 THR A 98 9.818 -0.029 -7.816 1.00 0.00 O ATOM 1521 CG2 THR A 98 11.024 0.710 -5.862 1.00 0.00 C ATOM 0 H THR A 98 10.642 2.136 -9.809 1.00 0.00 H new ATOM 0 HA THR A 98 9.690 2.631 -7.042 1.00 0.00 H new ATOM 0 HB THR A 98 11.781 0.584 -7.874 1.00 0.00 H new ATOM 0 HG1 THR A 98 9.784 -0.815 -7.231 1.00 0.00 H new ATOM 0 HG21 THR A 98 11.292 -0.318 -5.617 1.00 0.00 H new ATOM 0 HG22 THR A 98 11.815 1.381 -5.527 1.00 0.00 H new ATOM 0 HG23 THR A 98 10.091 0.970 -5.362 1.00 0.00 H new ATOM 1529 N GLU A 99 11.759 3.892 -6.439 1.00 0.00 N ATOM 1530 CA GLU A 99 12.876 4.796 -6.183 1.00 0.00 C ATOM 1531 C GLU A 99 13.410 4.603 -4.767 1.00 0.00 C ATOM 1532 O GLU A 99 12.743 4.012 -3.918 1.00 0.00 O ATOM 1533 CB GLU A 99 12.425 6.246 -6.366 1.00 0.00 C ATOM 1534 CG GLU A 99 11.904 6.443 -7.791 1.00 0.00 C ATOM 1535 CD GLU A 99 13.036 6.241 -8.793 1.00 0.00 C ATOM 1536 OE1 GLU A 99 14.183 6.324 -8.385 1.00 0.00 O ATOM 1537 OE2 GLU A 99 12.740 6.006 -9.953 1.00 0.00 O ATOM 0 H GLU A 99 11.061 3.856 -5.696 1.00 0.00 H new ATOM 0 HA GLU A 99 13.672 4.569 -6.893 1.00 0.00 H new ATOM 0 HB2 GLU A 99 11.644 6.489 -5.645 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.257 6.924 -6.175 1.00 0.00 H new ATOM 0 HG2 GLU A 99 11.098 5.737 -7.993 1.00 0.00 H new ATOM 0 HG3 GLU A 99 11.486 7.444 -7.899 1.00 0.00 H new ATOM 1544 N MET A 100 14.616 5.104 -4.523 1.00 0.00 N ATOM 1545 CA MET A 100 15.229 4.987 -3.204 1.00 0.00 C ATOM 1546 C MET A 100 14.800 6.145 -2.309 1.00 0.00 C ATOM 1547 O MET A 100 14.441 7.218 -2.795 1.00 0.00 O ATOM 1548 CB MET A 100 16.753 4.980 -3.336 1.00 0.00 C ATOM 1549 CG MET A 100 17.175 3.908 -4.341 1.00 0.00 C ATOM 1550 SD MET A 100 16.592 2.289 -3.778 1.00 0.00 S ATOM 1551 CE MET A 100 17.568 2.214 -2.256 1.00 0.00 C ATOM 0 H MET A 100 15.185 5.591 -5.215 1.00 0.00 H new ATOM 0 HA MET A 100 14.899 4.052 -2.752 1.00 0.00 H new ATOM 0 HB2 MET A 100 17.104 5.958 -3.663 1.00 0.00 H new ATOM 0 HB3 MET A 100 17.211 4.785 -2.367 1.00 0.00 H new ATOM 0 HG2 MET A 100 16.762 4.133 -5.324 1.00 0.00 H new ATOM 0 HG3 MET A 100 18.260 3.899 -4.446 1.00 0.00 H new ATOM 0 HE1 MET A 100 17.692 1.174 -1.954 1.00 0.00 H new ATOM 0 HE2 MET A 100 18.547 2.661 -2.429 1.00 0.00 H new ATOM 0 HE3 MET A 100 17.054 2.762 -1.466 1.00 0.00 H new ATOM 1561 N PHE A 101 14.842 5.921 -1.000 1.00 0.00 N ATOM 1562 CA PHE A 101 14.437 6.948 -0.047 1.00 0.00 C ATOM 1563 C PHE A 101 15.619 7.364 0.824 1.00 0.00 C ATOM 1564 O PHE A 101 16.487 8.120 0.389 1.00 0.00 O ATOM 1565 CB PHE A 101 13.307 6.423 0.842 1.00 0.00 C ATOM 1566 CG PHE A 101 12.883 7.505 1.806 1.00 0.00 C ATOM 1567 CD1 PHE A 101 12.666 8.808 1.342 1.00 0.00 C ATOM 1568 CD2 PHE A 101 12.665 7.196 3.154 1.00 0.00 C ATOM 1569 CE1 PHE A 101 12.245 9.805 2.230 1.00 0.00 C ATOM 1570 CE2 PHE A 101 12.244 8.192 4.041 1.00 0.00 C ATOM 1571 CZ PHE A 101 12.033 9.498 3.580 1.00 0.00 C ATOM 0 H PHE A 101 15.150 5.045 -0.577 1.00 0.00 H new ATOM 0 HA PHE A 101 14.085 7.816 -0.605 1.00 0.00 H new ATOM 0 HB2 PHE A 101 12.460 6.115 0.229 1.00 0.00 H new ATOM 0 HB3 PHE A 101 13.640 5.542 1.391 1.00 0.00 H new ATOM 0 HD1 PHE A 101 12.823 9.044 0.300 1.00 0.00 H new ATOM 0 HD2 PHE A 101 12.822 6.188 3.509 1.00 0.00 H new ATOM 0 HE1 PHE A 101 12.084 10.812 1.874 1.00 0.00 H new ATOM 0 HE2 PHE A 101 12.081 7.954 5.082 1.00 0.00 H new ATOM 0 HZ PHE A 101 11.707 10.267 4.265 1.00 0.00 H new ATOM 1581 N ILE A 102 15.644 6.865 2.055 1.00 0.00 N ATOM 1582 CA ILE A 102 16.721 7.198 2.981 1.00 0.00 C ATOM 1583 C ILE A 102 17.434 5.932 3.449 1.00 0.00 C ATOM 1584 O ILE A 102 16.900 4.830 3.337 1.00 0.00 O ATOM 1585 CB ILE A 102 16.159 7.945 4.191 1.00 0.00 C ATOM 1586 CG1 ILE A 102 15.214 7.021 4.964 1.00 0.00 C ATOM 1587 CG2 ILE A 102 15.388 9.178 3.716 1.00 0.00 C ATOM 1588 CD1 ILE A 102 15.969 6.379 6.129 1.00 0.00 C ATOM 0 H ILE A 102 14.937 6.234 2.433 1.00 0.00 H new ATOM 0 HA ILE A 102 17.437 7.836 2.462 1.00 0.00 H new ATOM 0 HB ILE A 102 16.978 8.256 4.840 1.00 0.00 H new ATOM 0 HG12 ILE A 102 14.360 7.586 5.337 1.00 0.00 H new ATOM 0 HG13 ILE A 102 14.821 6.249 4.302 1.00 0.00 H new ATOM 0 HG21 ILE A 102 14.987 9.711 4.578 1.00 0.00 H new ATOM 0 HG22 ILE A 102 16.058 9.836 3.163 1.00 0.00 H new ATOM 0 HG23 ILE A 102 14.568 8.867 3.068 1.00 0.00 H new ATOM 0 HD11 ILE A 102 15.297 5.721 6.680 1.00 0.00 H new ATOM 0 HD12 ILE A 102 16.808 5.800 5.744 1.00 0.00 H new ATOM 0 HD13 ILE A 102 16.341 7.158 6.795 1.00 0.00 H new ATOM 1600 N GLU A 103 18.644 6.100 3.972 1.00 0.00 N ATOM 1601 CA GLU A 103 19.421 4.964 4.457 1.00 0.00 C ATOM 1602 C GLU A 103 20.143 5.322 5.752 1.00 0.00 C ATOM 1603 O GLU A 103 20.445 6.489 6.006 1.00 0.00 O ATOM 1604 CB GLU A 103 20.444 4.542 3.401 1.00 0.00 C ATOM 1605 CG GLU A 103 21.290 3.389 3.941 1.00 0.00 C ATOM 1606 CD GLU A 103 22.241 2.889 2.858 1.00 0.00 C ATOM 1607 OE1 GLU A 103 22.150 3.379 1.745 1.00 0.00 O ATOM 1608 OE2 GLU A 103 23.046 2.023 3.159 1.00 0.00 O ATOM 0 H GLU A 103 19.106 7.004 4.071 1.00 0.00 H new ATOM 0 HA GLU A 103 18.738 4.138 4.652 1.00 0.00 H new ATOM 0 HB2 GLU A 103 19.934 4.236 2.488 1.00 0.00 H new ATOM 0 HB3 GLU A 103 21.084 5.386 3.142 1.00 0.00 H new ATOM 0 HG2 GLU A 103 21.858 3.720 4.811 1.00 0.00 H new ATOM 0 HG3 GLU A 103 20.643 2.576 4.272 1.00 0.00 H new ATOM 1615 N GLY A 104 20.417 4.310 6.570 1.00 0.00 N ATOM 1616 CA GLY A 104 21.108 4.528 7.836 1.00 0.00 C ATOM 1617 C GLY A 104 20.258 4.053 9.009 1.00 0.00 C ATOM 1618 O GLY A 104 19.346 3.243 8.839 1.00 0.00 O ATOM 0 H GLY A 104 20.173 3.338 6.381 1.00 0.00 H new ATOM 0 HA2 GLY A 104 22.059 3.996 7.832 1.00 0.00 H new ATOM 0 HA3 GLY A 104 21.336 5.587 7.953 1.00 0.00 H new ATOM 1622 N ARG A 105 20.562 4.562 10.199 1.00 0.00 N ATOM 1623 CA ARG A 105 19.820 4.178 11.396 1.00 0.00 C ATOM 1624 C ARG A 105 18.722 5.195 11.690 1.00 0.00 C ATOM 1625 O ARG A 105 18.928 6.401 11.555 1.00 0.00 O ATOM 1626 CB ARG A 105 20.771 4.086 12.591 1.00 0.00 C ATOM 1627 CG ARG A 105 20.037 3.463 13.780 1.00 0.00 C ATOM 1628 CD ARG A 105 20.965 3.432 14.995 1.00 0.00 C ATOM 1629 NE ARG A 105 20.323 2.736 16.105 1.00 0.00 N ATOM 1630 CZ ARG A 105 20.779 2.855 17.347 1.00 0.00 C ATOM 1631 NH1 ARG A 105 21.819 3.605 17.591 1.00 0.00 N ATOM 1632 NH2 ARG A 105 20.188 2.223 18.323 1.00 0.00 N ATOM 0 H ARG A 105 21.311 5.236 10.360 1.00 0.00 H new ATOM 0 HA ARG A 105 19.361 3.204 11.224 1.00 0.00 H new ATOM 0 HB2 ARG A 105 21.641 3.484 12.331 1.00 0.00 H new ATOM 0 HB3 ARG A 105 21.137 5.078 12.855 1.00 0.00 H new ATOM 0 HG2 ARG A 105 19.140 4.039 14.009 1.00 0.00 H new ATOM 0 HG3 ARG A 105 19.712 2.453 13.531 1.00 0.00 H new ATOM 0 HD2 ARG A 105 21.899 2.933 14.735 1.00 0.00 H new ATOM 0 HD3 ARG A 105 21.219 4.449 15.293 1.00 0.00 H new ATOM 0 HE ARG A 105 19.510 2.148 15.924 1.00 0.00 H new ATOM 0 HH11 ARG A 105 22.281 4.100 16.828 1.00 0.00 H new ATOM 0 HH12 ARG A 105 22.169 3.697 18.545 1.00 0.00 H new ATOM 0 HH21 ARG A 105 19.375 1.637 18.133 1.00 0.00 H new ATOM 0 HH22 ARG A 105 20.539 2.315 19.276 1.00 0.00 H new ATOM 1646 N VAL A 106 17.555 4.701 12.093 1.00 0.00 N ATOM 1647 CA VAL A 106 16.432 5.579 12.399 1.00 0.00 C ATOM 1648 C VAL A 106 15.993 5.410 13.850 1.00 0.00 C ATOM 1649 O VAL A 106 15.819 4.290 14.331 1.00 0.00 O ATOM 1650 CB VAL A 106 15.258 5.266 11.470 1.00 0.00 C ATOM 1651 CG1 VAL A 106 14.266 6.430 11.490 1.00 0.00 C ATOM 1652 CG2 VAL A 106 15.777 5.064 10.045 1.00 0.00 C ATOM 0 H VAL A 106 17.364 3.706 12.214 1.00 0.00 H new ATOM 0 HA VAL A 106 16.752 6.610 12.248 1.00 0.00 H new ATOM 0 HB VAL A 106 14.759 4.358 11.809 1.00 0.00 H new ATOM 0 HG11 VAL A 106 13.430 6.207 10.828 1.00 0.00 H new ATOM 0 HG12 VAL A 106 13.896 6.576 12.505 1.00 0.00 H new ATOM 0 HG13 VAL A 106 14.764 7.338 11.151 1.00 0.00 H new ATOM 0 HG21 VAL A 106 14.941 4.841 9.382 1.00 0.00 H new ATOM 0 HG22 VAL A 106 16.276 5.972 9.707 1.00 0.00 H new ATOM 0 HG23 VAL A 106 16.484 4.235 10.029 1.00 0.00 H new ATOM 1662 N ASN A 107 15.812 6.532 14.540 1.00 0.00 N ATOM 1663 CA ASN A 107 15.398 6.503 15.938 1.00 0.00 C ATOM 1664 C ASN A 107 14.367 7.595 16.207 1.00 0.00 C ATOM 1665 O ASN A 107 14.650 8.781 16.043 1.00 0.00 O ATOM 1666 CB ASN A 107 16.610 6.706 16.849 1.00 0.00 C ATOM 1667 CG ASN A 107 17.545 7.751 16.249 1.00 0.00 C ATOM 1668 OD1 ASN A 107 17.334 8.199 15.122 1.00 0.00 O ATOM 1669 ND2 ASN A 107 18.570 8.167 16.939 1.00 0.00 N ATOM 0 H ASN A 107 15.945 7.468 14.156 1.00 0.00 H new ATOM 0 HA ASN A 107 14.950 5.532 16.147 1.00 0.00 H new ATOM 0 HB2 ASN A 107 16.282 7.025 17.838 1.00 0.00 H new ATOM 0 HB3 ASN A 107 17.141 5.763 16.978 1.00 0.00 H new ATOM 0 HD21 ASN A 107 19.200 8.866 16.545 1.00 0.00 H new ATOM 0 HD22 ASN A 107 18.742 7.794 17.873 1.00 0.00 H new ATOM 1676 N GLY A 108 13.170 7.186 16.616 1.00 0.00 N ATOM 1677 CA GLY A 108 12.108 8.143 16.902 1.00 0.00 C ATOM 1678 C GLY A 108 11.923 9.106 15.736 1.00 0.00 C ATOM 1679 O GLY A 108 12.652 10.091 15.610 1.00 0.00 O ATOM 0 H GLY A 108 12.913 6.209 16.756 1.00 0.00 H new ATOM 0 HA2 GLY A 108 11.175 7.612 17.093 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.349 8.701 17.807 1.00 0.00 H new ATOM 1683 N PHE A 109 10.948 8.816 14.880 1.00 0.00 N ATOM 1684 CA PHE A 109 10.689 9.665 13.723 1.00 0.00 C ATOM 1685 C PHE A 109 9.198 9.706 13.404 1.00 0.00 C ATOM 1686 O PHE A 109 8.448 8.803 13.777 1.00 0.00 O ATOM 1687 CB PHE A 109 11.454 9.132 12.510 1.00 0.00 C ATOM 1688 CG PHE A 109 11.068 7.692 12.267 1.00 0.00 C ATOM 1689 CD1 PHE A 109 11.584 6.682 13.089 1.00 0.00 C ATOM 1690 CD2 PHE A 109 10.195 7.368 11.222 1.00 0.00 C ATOM 1691 CE1 PHE A 109 11.228 5.347 12.862 1.00 0.00 C ATOM 1692 CE2 PHE A 109 9.840 6.033 10.996 1.00 0.00 C ATOM 1693 CZ PHE A 109 10.355 5.023 11.815 1.00 0.00 C ATOM 0 H PHE A 109 10.330 8.009 14.964 1.00 0.00 H new ATOM 0 HA PHE A 109 11.024 10.676 13.956 1.00 0.00 H new ATOM 0 HB2 PHE A 109 11.228 9.734 11.630 1.00 0.00 H new ATOM 0 HB3 PHE A 109 12.528 9.208 12.681 1.00 0.00 H new ATOM 0 HD1 PHE A 109 12.256 6.933 13.897 1.00 0.00 H new ATOM 0 HD2 PHE A 109 9.795 8.148 10.590 1.00 0.00 H new ATOM 0 HE1 PHE A 109 11.626 4.567 13.494 1.00 0.00 H new ATOM 0 HE2 PHE A 109 9.168 5.783 10.189 1.00 0.00 H new ATOM 0 HZ PHE A 109 10.080 3.993 11.640 1.00 0.00 H new ATOM 1703 N LYS A 110 8.777 10.759 12.711 1.00 0.00 N ATOM 1704 CA LYS A 110 7.376 10.903 12.331 1.00 0.00 C ATOM 1705 C LYS A 110 7.210 10.686 10.830 1.00 0.00 C ATOM 1706 O LYS A 110 7.899 11.309 10.022 1.00 0.00 O ATOM 1707 CB LYS A 110 6.873 12.298 12.707 1.00 0.00 C ATOM 1708 CG LYS A 110 5.386 12.413 12.368 1.00 0.00 C ATOM 1709 CD LYS A 110 4.820 13.699 12.974 1.00 0.00 C ATOM 1710 CE LYS A 110 5.581 14.904 12.417 1.00 0.00 C ATOM 1711 NZ LYS A 110 5.861 14.689 10.969 1.00 0.00 N ATOM 0 H LYS A 110 9.381 11.521 12.403 1.00 0.00 H new ATOM 0 HA LYS A 110 6.792 10.153 12.865 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.029 12.478 13.771 1.00 0.00 H new ATOM 0 HB3 LYS A 110 7.439 13.058 12.168 1.00 0.00 H new ATOM 0 HG2 LYS A 110 5.248 12.417 11.287 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.846 11.548 12.755 1.00 0.00 H new ATOM 0 HD2 LYS A 110 3.759 13.787 12.742 1.00 0.00 H new ATOM 0 HD3 LYS A 110 4.907 13.671 14.060 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.995 15.813 12.554 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.515 15.042 12.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 6.027 15.606 10.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 6.705 14.091 10.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 5.047 14.220 10.524 1.00 0.00 H new ATOM 1725 N SER A 111 6.296 9.794 10.464 1.00 0.00 N ATOM 1726 CA SER A 111 6.062 9.487 9.058 1.00 0.00 C ATOM 1727 C SER A 111 4.696 9.999 8.609 1.00 0.00 C ATOM 1728 O SER A 111 3.694 9.817 9.300 1.00 0.00 O ATOM 1729 CB SER A 111 6.138 7.977 8.836 1.00 0.00 C ATOM 1730 OG SER A 111 7.328 7.476 9.432 1.00 0.00 O ATOM 0 H SER A 111 5.709 9.274 11.116 1.00 0.00 H new ATOM 0 HA SER A 111 6.832 9.984 8.468 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.266 7.489 9.271 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.129 7.753 7.769 1.00 0.00 H new ATOM 0 HG SER A 111 7.380 6.507 9.294 1.00 0.00 H new ATOM 1736 N LYS A 112 4.667 10.636 7.442 1.00 0.00 N ATOM 1737 CA LYS A 112 3.420 11.155 6.891 1.00 0.00 C ATOM 1738 C LYS A 112 3.336 10.852 5.398 1.00 0.00 C ATOM 1739 O LYS A 112 4.225 11.222 4.631 1.00 0.00 O ATOM 1740 CB LYS A 112 3.336 12.667 7.113 1.00 0.00 C ATOM 1741 CG LYS A 112 1.926 13.154 6.775 1.00 0.00 C ATOM 1742 CD LYS A 112 1.915 14.682 6.705 1.00 0.00 C ATOM 1743 CE LYS A 112 2.406 15.257 8.035 1.00 0.00 C ATOM 1744 NZ LYS A 112 1.845 14.456 9.159 1.00 0.00 N ATOM 0 H LYS A 112 5.489 10.805 6.862 1.00 0.00 H new ATOM 0 HA LYS A 112 2.587 10.670 7.401 1.00 0.00 H new ATOM 0 HB2 LYS A 112 3.577 12.907 8.149 1.00 0.00 H new ATOM 0 HB3 LYS A 112 4.068 13.178 6.488 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.604 12.734 5.822 1.00 0.00 H new ATOM 0 HG3 LYS A 112 1.220 12.809 7.531 1.00 0.00 H new ATOM 0 HD2 LYS A 112 2.554 15.024 5.891 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.908 15.040 6.492 1.00 0.00 H new ATOM 0 HE2 LYS A 112 3.495 15.241 8.071 1.00 0.00 H new ATOM 0 HE3 LYS A 112 2.100 16.299 8.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 1.852 15.026 10.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 0.868 14.179 8.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 2.423 13.603 9.300 1.00 0.00 H new ATOM 1758 N MET A 113 2.268 10.171 4.993 1.00 0.00 N ATOM 1759 CA MET A 113 2.093 9.816 3.589 1.00 0.00 C ATOM 1760 C MET A 113 0.702 10.203 3.098 1.00 0.00 C ATOM 1761 O MET A 113 -0.208 10.436 3.892 1.00 0.00 O ATOM 1762 CB MET A 113 2.297 8.311 3.404 1.00 0.00 C ATOM 1763 CG MET A 113 3.762 7.958 3.666 1.00 0.00 C ATOM 1764 SD MET A 113 4.051 6.226 3.229 1.00 0.00 S ATOM 1765 CE MET A 113 3.445 5.499 4.773 1.00 0.00 C ATOM 0 H MET A 113 1.518 9.857 5.609 1.00 0.00 H new ATOM 0 HA MET A 113 2.833 10.363 3.005 1.00 0.00 H new ATOM 0 HB2 MET A 113 1.651 7.759 4.087 1.00 0.00 H new ATOM 0 HB3 MET A 113 2.016 8.017 2.393 1.00 0.00 H new ATOM 0 HG2 MET A 113 4.414 8.606 3.080 1.00 0.00 H new ATOM 0 HG3 MET A 113 4.006 8.125 4.715 1.00 0.00 H new ATOM 0 HE1 MET A 113 3.814 4.477 4.864 1.00 0.00 H new ATOM 0 HE2 MET A 113 3.801 6.089 5.617 1.00 0.00 H new ATOM 0 HE3 MET A 113 2.355 5.492 4.769 1.00 0.00 H new ATOM 1775 N ASP A 114 0.549 10.267 1.778 1.00 0.00 N ATOM 1776 CA ASP A 114 -0.729 10.631 1.178 1.00 0.00 C ATOM 1777 C ASP A 114 -0.820 10.091 -0.246 1.00 0.00 C ATOM 1778 O ASP A 114 0.158 9.573 -0.785 1.00 0.00 O ATOM 1779 CB ASP A 114 -0.884 12.154 1.161 1.00 0.00 C ATOM 1780 CG ASP A 114 -2.342 12.526 0.913 1.00 0.00 C ATOM 1781 OD1 ASP A 114 -3.155 11.622 0.808 1.00 0.00 O ATOM 1782 OD2 ASP A 114 -2.625 13.710 0.830 1.00 0.00 O ATOM 0 H ASP A 114 1.292 10.072 1.107 1.00 0.00 H new ATOM 0 HA ASP A 114 -1.530 10.193 1.774 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -0.549 12.573 2.110 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -0.253 12.584 0.383 1.00 0.00 H new ATOM 1787 N ALA A 115 -1.996 10.213 -0.851 1.00 0.00 N ATOM 1788 CA ALA A 115 -2.193 9.737 -2.216 1.00 0.00 C ATOM 1789 C ALA A 115 -2.716 10.859 -3.108 1.00 0.00 C ATOM 1790 O ALA A 115 -3.924 11.016 -3.279 1.00 0.00 O ATOM 1791 CB ALA A 115 -3.184 8.571 -2.227 1.00 0.00 C ATOM 0 H ALA A 115 -2.821 10.633 -0.423 1.00 0.00 H new ATOM 0 HA ALA A 115 -1.231 9.400 -2.603 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -3.325 8.223 -3.250 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -2.794 7.756 -1.617 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -4.140 8.902 -1.822 1.00 0.00 H new ATOM 1797 N LEU A 116 -1.797 11.633 -3.674 1.00 0.00 N ATOM 1798 CA LEU A 116 -2.175 12.742 -4.541 1.00 0.00 C ATOM 1799 C LEU A 116 -2.379 12.256 -5.973 1.00 0.00 C ATOM 1800 O LEU A 116 -1.754 11.288 -6.407 1.00 0.00 O ATOM 1801 CB LEU A 116 -1.089 13.819 -4.513 1.00 0.00 C ATOM 1802 CG LEU A 116 -0.609 14.019 -3.074 1.00 0.00 C ATOM 1803 CD1 LEU A 116 0.357 15.205 -3.015 1.00 0.00 C ATOM 1804 CD2 LEU A 116 -1.812 14.298 -2.171 1.00 0.00 C ATOM 0 H LEU A 116 -0.792 11.514 -3.549 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.112 13.163 -4.176 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -0.254 13.526 -5.149 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.480 14.755 -4.911 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.098 13.118 -2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.698 15.346 -1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 116 1.214 15.008 -3.659 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.153 16.107 -3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -1.472 14.441 -1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -2.322 15.199 -2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -2.500 13.454 -2.211 1.00 0.00 H new ATOM 1816 N PRO A 117 -3.240 12.910 -6.704 1.00 0.00 N ATOM 1817 CA PRO A 117 -3.535 12.551 -8.122 1.00 0.00 C ATOM 1818 C PRO A 117 -2.379 12.903 -9.056 1.00 0.00 C ATOM 1819 O PRO A 117 -1.676 13.890 -8.843 1.00 0.00 O ATOM 1820 CB PRO A 117 -4.780 13.376 -8.461 1.00 0.00 C ATOM 1821 CG PRO A 117 -4.743 14.553 -7.545 1.00 0.00 C ATOM 1822 CD PRO A 117 -4.058 14.087 -6.261 1.00 0.00 C ATOM 0 HA PRO A 117 -3.685 11.479 -8.247 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -4.769 13.691 -9.504 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -5.689 12.793 -8.313 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -4.195 15.379 -7.998 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -5.750 14.914 -7.337 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -3.433 14.871 -5.833 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -4.784 13.806 -5.498 1.00 0.00 H new ATOM 1830 N LEU A 118 -2.191 12.089 -10.090 1.00 0.00 N ATOM 1831 CA LEU A 118 -1.118 12.326 -11.049 1.00 0.00 C ATOM 1832 C LEU A 118 -1.398 13.587 -11.860 1.00 0.00 C ATOM 1833 O LEU A 118 -2.327 13.624 -12.667 1.00 0.00 O ATOM 1834 CB LEU A 118 -0.984 11.131 -11.994 1.00 0.00 C ATOM 1835 CG LEU A 118 -0.697 9.866 -11.183 1.00 0.00 C ATOM 1836 CD1 LEU A 118 -1.095 8.637 -12.002 1.00 0.00 C ATOM 1837 CD2 LEU A 118 0.797 9.797 -10.857 1.00 0.00 C ATOM 0 H LEU A 118 -2.762 11.267 -10.284 1.00 0.00 H new ATOM 0 HA LEU A 118 -0.187 12.457 -10.498 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -1.901 11.006 -12.570 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -0.180 11.308 -12.708 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.271 9.890 -10.257 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -0.891 7.734 -11.426 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -2.158 8.685 -12.237 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -0.519 8.614 -12.927 1.00 0.00 H new ATOM 0 HD21 LEU A 118 1.002 8.896 -10.279 1.00 0.00 H new ATOM 0 HD22 LEU A 118 1.371 9.772 -11.783 1.00 0.00 H new ATOM 0 HD23 LEU A 118 1.083 10.674 -10.276 1.00 0.00 H new ATOM 1849 N SER A 119 -0.589 14.617 -11.641 1.00 0.00 N ATOM 1850 CA SER A 119 -0.762 15.878 -12.353 1.00 0.00 C ATOM 1851 C SER A 119 -0.017 15.848 -13.682 1.00 0.00 C ATOM 1852 O SER A 119 0.436 14.793 -14.129 1.00 0.00 O ATOM 1853 CB SER A 119 -0.242 17.034 -11.501 1.00 0.00 C ATOM 1854 OG SER A 119 -1.041 17.152 -10.331 1.00 0.00 O ATOM 0 H SER A 119 0.188 14.605 -10.981 1.00 0.00 H new ATOM 0 HA SER A 119 -1.825 16.021 -12.548 1.00 0.00 H new ATOM 0 HB2 SER A 119 0.799 16.860 -11.228 1.00 0.00 H new ATOM 0 HB3 SER A 119 -0.272 17.963 -12.071 1.00 0.00 H new ATOM 0 HG SER A 119 -0.709 17.892 -9.781 1.00 0.00 H new ATOM 1860 N GLU A 120 0.109 17.012 -14.311 1.00 0.00 N ATOM 1861 CA GLU A 120 0.800 17.106 -15.591 1.00 0.00 C ATOM 1862 C GLU A 120 2.245 16.639 -15.453 1.00 0.00 C ATOM 1863 O GLU A 120 2.830 16.110 -16.397 1.00 0.00 O ATOM 1864 CB GLU A 120 0.773 18.550 -16.096 1.00 0.00 C ATOM 1865 CG GLU A 120 1.588 19.437 -15.153 1.00 0.00 C ATOM 1866 CD GLU A 120 1.409 20.903 -15.535 1.00 0.00 C ATOM 1867 OE1 GLU A 120 0.781 21.159 -16.548 1.00 0.00 O ATOM 1868 OE2 GLU A 120 1.903 21.748 -14.807 1.00 0.00 O ATOM 0 H GLU A 120 -0.255 17.897 -13.958 1.00 0.00 H new ATOM 0 HA GLU A 120 0.289 16.463 -16.307 1.00 0.00 H new ATOM 0 HB2 GLU A 120 1.183 18.601 -17.105 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -0.255 18.908 -16.151 1.00 0.00 H new ATOM 0 HG2 GLU A 120 1.268 19.279 -14.123 1.00 0.00 H new ATOM 0 HG3 GLU A 120 2.642 19.165 -15.204 1.00 0.00 H new ATOM 1875 N GLU A 121 2.815 16.841 -14.269 1.00 0.00 N ATOM 1876 CA GLU A 121 4.193 16.438 -14.017 1.00 0.00 C ATOM 1877 C GLU A 121 4.382 14.957 -14.326 1.00 0.00 C ATOM 1878 O GLU A 121 5.389 14.559 -14.912 1.00 0.00 O ATOM 1879 CB GLU A 121 4.558 16.708 -12.555 1.00 0.00 C ATOM 1880 CG GLU A 121 3.770 15.761 -11.648 1.00 0.00 C ATOM 1881 CD GLU A 121 3.880 16.216 -10.197 1.00 0.00 C ATOM 1882 OE1 GLU A 121 3.669 17.391 -9.949 1.00 0.00 O ATOM 1883 OE2 GLU A 121 4.174 15.383 -9.356 1.00 0.00 O ATOM 0 H GLU A 121 2.348 17.278 -13.475 1.00 0.00 H new ATOM 0 HA GLU A 121 4.847 17.020 -14.667 1.00 0.00 H new ATOM 0 HB2 GLU A 121 5.628 16.566 -12.404 1.00 0.00 H new ATOM 0 HB3 GLU A 121 4.335 17.744 -12.299 1.00 0.00 H new ATOM 0 HG2 GLU A 121 2.724 15.739 -11.953 1.00 0.00 H new ATOM 0 HG3 GLU A 121 4.152 14.745 -11.749 1.00 0.00 H new ATOM 1890 N TYR A 122 3.406 14.146 -13.931 1.00 0.00 N ATOM 1891 CA TYR A 122 3.472 12.711 -14.183 1.00 0.00 C ATOM 1892 C TYR A 122 3.405 12.429 -15.680 1.00 0.00 C ATOM 1893 O TYR A 122 4.137 11.586 -16.197 1.00 0.00 O ATOM 1894 CB TYR A 122 2.318 12.000 -13.475 1.00 0.00 C ATOM 1895 CG TYR A 122 2.191 10.593 -14.007 1.00 0.00 C ATOM 1896 CD1 TYR A 122 3.166 9.638 -13.697 1.00 0.00 C ATOM 1897 CD2 TYR A 122 1.104 10.246 -14.819 1.00 0.00 C ATOM 1898 CE1 TYR A 122 3.055 8.336 -14.200 1.00 0.00 C ATOM 1899 CE2 TYR A 122 0.992 8.944 -15.319 1.00 0.00 C ATOM 1900 CZ TYR A 122 1.968 7.988 -15.010 1.00 0.00 C ATOM 1901 OH TYR A 122 1.857 6.705 -15.504 1.00 0.00 O ATOM 0 H TYR A 122 2.567 14.454 -13.439 1.00 0.00 H new ATOM 0 HA TYR A 122 4.419 12.336 -13.795 1.00 0.00 H new ATOM 0 HB2 TYR A 122 2.495 11.979 -12.400 1.00 0.00 H new ATOM 0 HB3 TYR A 122 1.388 12.546 -13.634 1.00 0.00 H new ATOM 0 HD1 TYR A 122 4.004 9.905 -13.070 1.00 0.00 H new ATOM 0 HD2 TYR A 122 0.352 10.983 -15.059 1.00 0.00 H new ATOM 0 HE1 TYR A 122 3.809 7.600 -13.963 1.00 0.00 H new ATOM 0 HE2 TYR A 122 0.153 8.676 -15.943 1.00 0.00 H new ATOM 0 HH TYR A 122 1.044 6.633 -16.047 1.00 0.00 H new ATOM 1911 N ARG A 123 2.521 13.143 -16.371 1.00 0.00 N ATOM 1912 CA ARG A 123 2.366 12.963 -17.810 1.00 0.00 C ATOM 1913 C ARG A 123 3.689 13.219 -18.524 1.00 0.00 C ATOM 1914 O ARG A 123 4.066 12.483 -19.437 1.00 0.00 O ATOM 1915 CB ARG A 123 1.301 13.921 -18.345 1.00 0.00 C ATOM 1916 CG ARG A 123 -0.028 13.657 -17.636 1.00 0.00 C ATOM 1917 CD ARG A 123 -1.125 14.512 -18.272 1.00 0.00 C ATOM 1918 NE ARG A 123 -1.397 14.056 -19.630 1.00 0.00 N ATOM 1919 CZ ARG A 123 -2.073 12.934 -19.855 1.00 0.00 C ATOM 1920 NH1 ARG A 123 -2.507 12.220 -18.852 1.00 0.00 N ATOM 1921 NH2 ARG A 123 -2.303 12.546 -21.079 1.00 0.00 N ATOM 0 H ARG A 123 1.906 13.846 -15.961 1.00 0.00 H new ATOM 0 HA ARG A 123 2.055 11.935 -17.999 1.00 0.00 H new ATOM 0 HB2 ARG A 123 1.612 14.953 -18.184 1.00 0.00 H new ATOM 0 HB3 ARG A 123 1.184 13.787 -19.420 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -0.287 12.601 -17.709 1.00 0.00 H new ATOM 0 HG3 ARG A 123 0.061 13.891 -16.575 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -2.034 14.455 -17.673 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -0.818 15.558 -18.287 1.00 0.00 H new ATOM 0 HE ARG A 123 -1.063 14.607 -20.420 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -2.327 12.523 -17.895 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -3.026 11.359 -19.026 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -1.964 13.104 -21.863 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -2.822 11.685 -21.252 1.00 0.00 H new ATOM 1935 N GLN A 124 4.389 14.266 -18.103 1.00 0.00 N ATOM 1936 CA GLN A 124 5.677 14.602 -18.699 1.00 0.00 C ATOM 1937 C GLN A 124 6.730 13.568 -18.315 1.00 0.00 C ATOM 1938 O GLN A 124 7.583 13.206 -19.127 1.00 0.00 O ATOM 1939 CB GLN A 124 6.123 15.987 -18.228 1.00 0.00 C ATOM 1940 CG GLN A 124 5.192 17.049 -18.814 1.00 0.00 C ATOM 1941 CD GLN A 124 5.596 18.431 -18.310 1.00 0.00 C ATOM 1942 OE1 GLN A 124 6.335 18.545 -17.332 1.00 0.00 O ATOM 1943 NE2 GLN A 124 5.152 19.494 -18.924 1.00 0.00 N ATOM 0 H GLN A 124 4.089 14.893 -17.356 1.00 0.00 H new ATOM 0 HA GLN A 124 5.566 14.605 -19.783 1.00 0.00 H new ATOM 0 HB2 GLN A 124 6.107 16.035 -17.139 1.00 0.00 H new ATOM 0 HB3 GLN A 124 7.150 16.176 -18.541 1.00 0.00 H new ATOM 0 HG2 GLN A 124 5.236 17.023 -19.903 1.00 0.00 H new ATOM 0 HG3 GLN A 124 4.161 16.837 -18.531 1.00 0.00 H new ATOM 0 HE21 GLN A 124 4.540 19.397 -19.734 1.00 0.00 H new ATOM 0 HE22 GLN A 124 5.417 20.422 -18.594 1.00 0.00 H new ATOM 1952 N HIS A 125 6.666 13.097 -17.075 1.00 0.00 N ATOM 1953 CA HIS A 125 7.615 12.098 -16.597 1.00 0.00 C ATOM 1954 C HIS A 125 7.609 10.875 -17.510 1.00 0.00 C ATOM 1955 O HIS A 125 8.663 10.368 -17.891 1.00 0.00 O ATOM 1956 CB HIS A 125 7.255 11.675 -15.172 1.00 0.00 C ATOM 1957 CG HIS A 125 7.951 10.384 -14.841 1.00 0.00 C ATOM 1958 ND1 HIS A 125 9.193 10.350 -14.229 1.00 0.00 N ATOM 1959 CD2 HIS A 125 7.574 9.074 -15.000 1.00 0.00 C ATOM 1960 CE1 HIS A 125 9.517 9.058 -14.040 1.00 0.00 C ATOM 1961 NE2 HIS A 125 8.567 8.237 -14.498 1.00 0.00 N ATOM 0 H HIS A 125 5.972 13.388 -16.386 1.00 0.00 H new ATOM 0 HA HIS A 125 8.612 12.538 -16.603 1.00 0.00 H new ATOM 0 HB2 HIS A 125 7.550 12.451 -14.466 1.00 0.00 H new ATOM 0 HB3 HIS A 125 6.176 11.553 -15.079 1.00 0.00 H new ATOM 0 HD2 HIS A 125 6.648 8.743 -15.447 1.00 0.00 H new ATOM 0 HE1 HIS A 125 10.433 8.725 -13.575 1.00 0.00 H new ATOM 0 HE2 HIS A 125 8.569 7.217 -14.483 1.00 0.00 H new ATOM 1970 N GLN A 126 6.413 10.410 -17.855 1.00 0.00 N ATOM 1971 CA GLN A 126 6.279 9.251 -18.730 1.00 0.00 C ATOM 1972 C GLN A 126 6.718 9.599 -20.149 1.00 0.00 C ATOM 1973 O GLN A 126 7.286 8.765 -20.855 1.00 0.00 O ATOM 1974 CB GLN A 126 4.825 8.774 -18.745 1.00 0.00 C ATOM 1975 CG GLN A 126 4.421 8.324 -17.340 1.00 0.00 C ATOM 1976 CD GLN A 126 4.984 6.936 -17.055 1.00 0.00 C ATOM 1977 OE1 GLN A 126 6.251 6.801 -16.773 1.00 0.00 O flip ATOM 1978 NE2 GLN A 126 4.250 5.948 -17.089 1.00 0.00 N flip ATOM 0 H GLN A 126 5.529 10.814 -17.545 1.00 0.00 H new ATOM 0 HA GLN A 126 6.918 8.454 -18.349 1.00 0.00 H new ATOM 0 HB2 GLN A 126 4.171 9.578 -19.083 1.00 0.00 H new ATOM 0 HB3 GLN A 126 4.709 7.951 -19.450 1.00 0.00 H new ATOM 0 HG2 GLN A 126 4.791 9.034 -16.601 1.00 0.00 H new ATOM 0 HG3 GLN A 126 3.335 8.310 -17.252 1.00 0.00 H new ATOM 0 HE21 GLN A 126 3.260 6.056 -17.310 1.00 0.00 H new ATOM 0 HE22 GLN A 126 4.632 5.022 -16.897 1.00 0.00 H new ATOM 1987 N ALA A 127 6.453 10.835 -20.559 1.00 0.00 N ATOM 1988 CA ALA A 127 6.822 11.281 -21.898 1.00 0.00 C ATOM 1989 C ALA A 127 8.336 11.426 -22.014 1.00 0.00 C ATOM 1990 O ALA A 127 8.961 10.834 -22.894 1.00 0.00 O ATOM 1991 CB ALA A 127 6.152 12.621 -22.205 1.00 0.00 C ATOM 0 H ALA A 127 5.988 11.541 -19.989 1.00 0.00 H new ATOM 0 HA ALA A 127 6.484 10.535 -22.617 1.00 0.00 H new ATOM 0 HB1 ALA A 127 6.433 12.947 -23.207 1.00 0.00 H new ATOM 0 HB2 ALA A 127 5.069 12.507 -22.150 1.00 0.00 H new ATOM 0 HB3 ALA A 127 6.476 13.365 -21.477 1.00 0.00 H new ATOM 1997 N GLU A 128 8.918 12.218 -21.119 1.00 0.00 N ATOM 1998 CA GLU A 128 10.360 12.436 -21.130 1.00 0.00 C ATOM 1999 C GLU A 128 11.099 11.146 -20.787 1.00 0.00 C ATOM 2000 O GLU A 128 12.291 11.012 -21.058 1.00 0.00 O ATOM 2001 CB GLU A 128 10.732 13.522 -20.119 1.00 0.00 C ATOM 2002 CG GLU A 128 10.585 12.971 -18.700 1.00 0.00 C ATOM 2003 CD GLU A 128 11.862 12.248 -18.286 1.00 0.00 C ATOM 2004 OE1 GLU A 128 12.783 12.207 -19.088 1.00 0.00 O ATOM 2005 OE2 GLU A 128 11.903 11.745 -17.176 1.00 0.00 O ATOM 0 H GLU A 128 8.418 12.716 -20.382 1.00 0.00 H new ATOM 0 HA GLU A 128 10.652 12.755 -22.130 1.00 0.00 H new ATOM 0 HB2 GLU A 128 11.756 13.854 -20.287 1.00 0.00 H new ATOM 0 HB3 GLU A 128 10.089 14.392 -20.251 1.00 0.00 H new ATOM 0 HG2 GLU A 128 10.376 13.784 -18.005 1.00 0.00 H new ATOM 0 HG3 GLU A 128 9.738 12.286 -18.653 1.00 0.00 H new ATOM 2012 N LYS A 129 10.381 10.200 -20.190 1.00 0.00 N ATOM 2013 CA LYS A 129 10.978 8.924 -19.816 1.00 0.00 C ATOM 2014 C LYS A 129 11.909 8.425 -20.917 1.00 0.00 C ATOM 2015 O LYS A 129 13.076 8.122 -20.667 1.00 0.00 O ATOM 2016 CB LYS A 129 9.882 7.887 -19.564 1.00 0.00 C ATOM 2017 CG LYS A 129 10.480 6.673 -18.850 1.00 0.00 C ATOM 2018 CD LYS A 129 9.371 5.663 -18.546 1.00 0.00 C ATOM 2019 CE LYS A 129 8.776 5.147 -19.857 1.00 0.00 C ATOM 2020 NZ LYS A 129 8.206 3.787 -19.643 1.00 0.00 N ATOM 0 H LYS A 129 9.392 10.292 -19.956 1.00 0.00 H new ATOM 0 HA LYS A 129 11.557 9.069 -18.904 1.00 0.00 H new ATOM 0 HB2 LYS A 129 9.087 8.323 -18.959 1.00 0.00 H new ATOM 0 HB3 LYS A 129 9.432 7.581 -20.509 1.00 0.00 H new ATOM 0 HG2 LYS A 129 11.246 6.212 -19.474 1.00 0.00 H new ATOM 0 HG3 LYS A 129 10.966 6.984 -17.926 1.00 0.00 H new ATOM 0 HD2 LYS A 129 9.771 4.832 -17.964 1.00 0.00 H new ATOM 0 HD3 LYS A 129 8.594 6.131 -17.941 1.00 0.00 H new ATOM 0 HE2 LYS A 129 8.000 5.827 -20.209 1.00 0.00 H new ATOM 0 HE3 LYS A 129 9.545 5.113 -20.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 7.801 3.436 -20.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 8.957 3.142 -19.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 7.461 3.833 -18.919 1.00 0.00 H new ATOM 2034 N ASP A 130 11.384 8.342 -22.136 1.00 0.00 N ATOM 2035 CA ASP A 130 12.179 7.877 -23.267 1.00 0.00 C ATOM 2036 C ASP A 130 13.033 6.679 -22.868 1.00 0.00 C ATOM 2037 O ASP A 130 14.199 6.581 -23.249 1.00 0.00 O ATOM 2038 CB ASP A 130 13.081 9.005 -23.769 1.00 0.00 C ATOM 2039 CG ASP A 130 13.787 8.577 -25.051 1.00 0.00 C ATOM 2040 OD1 ASP A 130 13.516 7.482 -25.516 1.00 0.00 O ATOM 2041 OD2 ASP A 130 14.587 9.351 -25.550 1.00 0.00 O ATOM 0 H ASP A 130 10.421 8.588 -22.364 1.00 0.00 H new ATOM 0 HA ASP A 130 11.499 7.573 -24.063 1.00 0.00 H new ATOM 0 HB2 ASP A 130 12.488 9.901 -23.952 1.00 0.00 H new ATOM 0 HB3 ASP A 130 13.817 9.260 -23.006 1.00 0.00 H new ATOM 2046 N LYS A 131 12.445 5.770 -22.096 1.00 0.00 N ATOM 2047 CA LYS A 131 13.162 4.580 -21.652 1.00 0.00 C ATOM 2048 C LYS A 131 14.504 4.962 -21.038 1.00 0.00 C ATOM 2049 O LYS A 131 14.560 5.108 -19.829 1.00 0.00 O ATOM 2050 CB LYS A 131 13.389 3.636 -22.834 1.00 0.00 C ATOM 2051 CG LYS A 131 13.956 2.309 -22.326 1.00 0.00 C ATOM 2052 CD LYS A 131 14.230 1.382 -23.512 1.00 0.00 C ATOM 2053 CE LYS A 131 14.690 0.016 -22.999 1.00 0.00 C ATOM 2054 NZ LYS A 131 15.973 0.170 -22.257 1.00 0.00 N ATOM 2055 OXT LYS A 131 15.458 5.103 -21.787 1.00 0.00 O ATOM 0 H LYS A 131 11.482 5.834 -21.767 1.00 0.00 H new ATOM 0 HA LYS A 131 12.560 4.076 -20.896 1.00 0.00 H new ATOM 0 HB2 LYS A 131 12.451 3.465 -23.362 1.00 0.00 H new ATOM 0 HB3 LYS A 131 14.078 4.089 -23.547 1.00 0.00 H new ATOM 0 HG2 LYS A 131 14.876 2.484 -21.768 1.00 0.00 H new ATOM 0 HG3 LYS A 131 13.251 1.840 -21.639 1.00 0.00 H new ATOM 0 HD2 LYS A 131 13.329 1.271 -24.115 1.00 0.00 H new ATOM 0 HD3 LYS A 131 14.994 1.816 -24.157 1.00 0.00 H new ATOM 0 HE2 LYS A 131 13.930 -0.414 -22.347 1.00 0.00 H new ATOM 0 HE3 LYS A 131 14.821 -0.673 -23.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 16.431 -0.759 -22.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 16.602 0.813 -22.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 15.783 0.564 -21.313 1.00 0.00 H new TER 2069 LYS A 131