USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 763 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 106 SER OG : rot 126:sc= 0.912 USER MOD Set 1.2: A 118 GLN :FLIP amide:sc= -0.717 F(o=-5.4!,f=0.19) USER MOD Set 2.1: A 58 GLN :FLIP amide:sc= -3.33! C(o=-11!,f=-2.5!) USER MOD Set 2.2: A 84 GLN : amide:sc= 0.822 K(o=-2.5,f=-5) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -116:sc= -1.13 (180deg=-3.22!) USER MOD Single : A 34 ASN : amide:sc= -0.334 K(o=-0.33,f=-7.6!) USER MOD Single : A 36 ASN :FLIP amide:sc= -0.858 F(o=-1.7!,f=-0.86) USER MOD Single : A 41 MET CE :methyl -176:sc= 0 (180deg=-0.042) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 141:sc= -1.98 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -99:sc= 0.735 USER MOD Single : A 64 THR OG1 : rot 180:sc= -2.44 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 153:sc= -0.274 (180deg=-1.34!) USER MOD Single : A 82 THR OG1 : rot -47:sc= 0.0492 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.0137 K(o=-0.014,f=-1.3!) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot -64:sc= 0.743 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -2.87! C(o=-2.9!,f=-3.4!) USER MOD Single : A 98 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -1.16! C(o=-1.2!,f=-12!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= -0.741 K(o=-0.74,f=-3.5!) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 122 HIS : no HE2:sc= 0.208 K(o=0.21,f=-0.99) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 126 ASN : amide:sc= -1.21 K(o=-1.2,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 31 -0.007 19.224 -21.282 1.00 0.00 N ATOM 2 CA MET A 31 -1.199 20.098 -21.102 1.00 0.00 C ATOM 3 C MET A 31 -1.994 19.627 -19.888 1.00 0.00 C ATOM 4 O MET A 31 -2.204 18.429 -19.698 1.00 0.00 O ATOM 5 CB MET A 31 -2.075 20.033 -22.354 1.00 0.00 C ATOM 6 CG MET A 31 -1.349 20.707 -23.520 1.00 0.00 C ATOM 7 SD MET A 31 -2.412 20.681 -24.986 1.00 0.00 S ATOM 8 CE MET A 31 -1.174 21.254 -26.174 1.00 0.00 C ATOM 0 HA MET A 31 -0.877 21.127 -20.944 1.00 0.00 H new ATOM 0 HB2 MET A 31 -2.298 18.995 -22.601 1.00 0.00 H new ATOM 0 HB3 MET A 31 -3.028 20.528 -22.170 1.00 0.00 H new ATOM 0 HG2 MET A 31 -1.095 21.735 -23.260 1.00 0.00 H new ATOM 0 HG3 MET A 31 -0.412 20.190 -23.727 1.00 0.00 H new ATOM 0 HE1 MET A 31 -1.622 21.313 -27.166 1.00 0.00 H new ATOM 0 HE2 MET A 31 -0.815 22.240 -25.878 1.00 0.00 H new ATOM 0 HE3 MET A 31 -0.338 20.555 -26.194 1.00 0.00 H new ATOM 18 N GLY A 32 -2.441 20.577 -19.074 1.00 0.00 N ATOM 19 CA GLY A 32 -3.218 20.248 -17.884 1.00 0.00 C ATOM 20 C GLY A 32 -2.317 19.733 -16.767 1.00 0.00 C ATOM 21 O GLY A 32 -2.768 19.011 -15.877 1.00 0.00 O ATOM 0 H GLY A 32 -2.280 21.574 -19.214 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.758 21.131 -17.542 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.965 19.493 -18.130 1.00 0.00 H new ATOM 25 N LYS A 33 -1.038 20.106 -16.819 1.00 0.00 N ATOM 26 CA LYS A 33 -0.070 19.678 -15.805 1.00 0.00 C ATOM 27 C LYS A 33 0.661 20.880 -15.218 1.00 0.00 C ATOM 28 O LYS A 33 0.950 21.848 -15.922 1.00 0.00 O ATOM 29 CB LYS A 33 0.949 18.721 -16.429 1.00 0.00 C ATOM 30 CG LYS A 33 0.236 17.447 -16.888 1.00 0.00 C ATOM 31 CD LYS A 33 1.270 16.432 -17.388 1.00 0.00 C ATOM 32 CE LYS A 33 2.001 16.983 -18.621 1.00 0.00 C ATOM 33 NZ LYS A 33 3.186 17.774 -18.177 1.00 0.00 N1+ ATOM 0 H LYS A 33 -0.648 20.702 -17.549 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.611 19.169 -15.007 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.443 19.199 -17.275 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.725 18.475 -15.704 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.337 17.022 -16.064 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.473 17.681 -17.682 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.988 16.214 -16.598 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.777 15.493 -17.638 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.317 16.164 -19.267 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.329 17.610 -19.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.063 18.769 -18.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.278 17.711 -17.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.044 17.394 -18.625 1.00 0.00 H new ATOM 47 N ASN A 34 0.957 20.811 -13.924 1.00 0.00 N ATOM 48 CA ASN A 34 1.654 21.898 -13.247 1.00 0.00 C ATOM 49 C ASN A 34 3.132 21.907 -13.630 1.00 0.00 C ATOM 50 O ASN A 34 3.659 20.914 -14.131 1.00 0.00 O ATOM 51 CB ASN A 34 1.516 21.740 -11.732 1.00 0.00 C ATOM 52 CG ASN A 34 2.020 22.996 -11.032 1.00 0.00 C ATOM 53 OD1 ASN A 34 3.219 23.136 -10.793 1.00 0.00 O ATOM 54 ND2 ASN A 34 1.170 23.924 -10.685 1.00 0.00 N ATOM 0 H ASN A 34 0.726 20.018 -13.326 1.00 0.00 H new ATOM 0 HA ASN A 34 1.206 22.843 -13.556 1.00 0.00 H new ATOM 0 HB2 ASN A 34 0.473 21.560 -11.470 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.083 20.873 -11.395 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.499 24.767 -10.215 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.177 23.806 -10.884 1.00 0.00 H new ATOM 61 N ASP A 35 3.792 23.036 -13.393 1.00 0.00 N ATOM 62 CA ASP A 35 5.206 23.163 -13.721 1.00 0.00 C ATOM 63 C ASP A 35 6.032 22.157 -12.924 1.00 0.00 C ATOM 64 O ASP A 35 6.959 21.542 -13.452 1.00 0.00 O ATOM 65 CB ASP A 35 5.686 24.581 -13.407 1.00 0.00 C ATOM 66 CG ASP A 35 7.056 24.821 -14.034 1.00 0.00 C ATOM 67 OD1 ASP A 35 7.413 24.079 -14.934 1.00 0.00 O ATOM 68 OD2 ASP A 35 7.726 25.746 -13.605 1.00 0.00 O1- ATOM 0 H ASP A 35 3.374 23.869 -12.979 1.00 0.00 H new ATOM 0 HA ASP A 35 5.335 22.961 -14.784 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.970 25.309 -13.789 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.741 24.724 -12.328 1.00 0.00 H new ATOM 73 N ASN A 36 5.688 21.992 -11.652 1.00 0.00 N ATOM 74 CA ASN A 36 6.398 21.055 -10.789 1.00 0.00 C ATOM 75 C ASN A 36 6.205 19.626 -11.285 1.00 0.00 C ATOM 76 O ASN A 36 7.115 18.799 -11.201 1.00 0.00 O ATOM 77 CB ASN A 36 5.895 21.180 -9.350 1.00 0.00 C ATOM 78 CG ASN A 36 6.291 22.535 -8.768 1.00 0.00 C ATOM 79 OD1 ASN A 36 7.360 23.143 -9.205 1.00 0.00 O flip ATOM 80 ND2 ASN A 36 5.606 23.053 -7.886 1.00 0.00 N flip ATOM 0 H ASN A 36 4.925 22.493 -11.197 1.00 0.00 H new ATOM 0 HA ASN A 36 7.461 21.295 -10.816 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.811 21.068 -9.325 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.312 20.378 -8.740 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.770 22.578 -7.544 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.874 23.957 -7.497 1.00 0.00 H new ATOM 87 N ASP A 37 5.012 19.341 -11.800 1.00 0.00 N ATOM 88 CA ASP A 37 4.706 18.009 -12.307 1.00 0.00 C ATOM 89 C ASP A 37 5.580 17.674 -13.511 1.00 0.00 C ATOM 90 O ASP A 37 5.410 16.632 -14.143 1.00 0.00 O ATOM 91 CB ASP A 37 3.230 17.926 -12.701 1.00 0.00 C ATOM 92 CG ASP A 37 2.850 16.478 -12.996 1.00 0.00 C ATOM 93 OD1 ASP A 37 3.550 15.595 -12.528 1.00 0.00 O1- ATOM 94 OD2 ASP A 37 1.864 16.274 -13.684 1.00 0.00 O ATOM 0 H ASP A 37 4.246 20.011 -11.877 1.00 0.00 H new ATOM 0 HA ASP A 37 4.911 17.286 -11.517 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.608 18.317 -11.896 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.044 18.546 -13.578 1.00 0.00 H new ATOM 99 N ALA A 38 6.518 18.561 -13.813 1.00 0.00 N ATOM 100 CA ALA A 38 7.427 18.352 -14.936 1.00 0.00 C ATOM 101 C ALA A 38 8.253 17.096 -14.713 1.00 0.00 C ATOM 102 O ALA A 38 8.600 16.773 -13.581 1.00 0.00 O ATOM 103 CB ALA A 38 8.361 19.553 -15.090 1.00 0.00 C ATOM 0 H ALA A 38 6.671 19.429 -13.300 1.00 0.00 H new ATOM 0 HA ALA A 38 6.835 18.238 -15.844 1.00 0.00 H new ATOM 0 HB1 ALA A 38 9.034 19.385 -15.931 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.771 20.452 -15.271 1.00 0.00 H new ATOM 0 HB3 ALA A 38 8.944 19.680 -14.178 1.00 0.00 H new ATOM 109 N LEU A 39 8.570 16.388 -15.797 1.00 0.00 N ATOM 110 CA LEU A 39 9.367 15.161 -15.708 1.00 0.00 C ATOM 111 C LEU A 39 10.708 15.352 -16.410 1.00 0.00 C ATOM 112 O LEU A 39 10.763 15.778 -17.566 1.00 0.00 O ATOM 113 CB LEU A 39 8.605 13.998 -16.352 1.00 0.00 C ATOM 114 CG LEU A 39 7.348 13.668 -15.527 1.00 0.00 C ATOM 115 CD1 LEU A 39 6.381 12.848 -16.386 1.00 0.00 C ATOM 116 CD2 LEU A 39 7.722 12.856 -14.277 1.00 0.00 C ATOM 0 H LEU A 39 8.289 16.640 -16.745 1.00 0.00 H new ATOM 0 HA LEU A 39 9.548 14.934 -14.657 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.322 14.259 -17.372 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.249 13.121 -16.414 1.00 0.00 H new ATOM 0 HG LEU A 39 6.877 14.601 -15.216 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.489 12.612 -15.805 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.099 13.424 -17.267 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.866 11.923 -16.698 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.821 12.632 -13.706 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.202 11.925 -14.578 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.409 13.435 -13.659 1.00 0.00 H new ATOM 128 N ILE A 40 11.788 15.038 -15.699 1.00 0.00 N ATOM 129 CA ILE A 40 13.136 15.180 -16.250 1.00 0.00 C ATOM 130 C ILE A 40 13.734 13.815 -16.553 1.00 0.00 C ATOM 131 O ILE A 40 13.763 12.930 -15.700 1.00 0.00 O ATOM 132 CB ILE A 40 14.036 15.920 -15.253 1.00 0.00 C ATOM 133 CG1 ILE A 40 13.269 17.124 -14.658 1.00 0.00 C ATOM 134 CG2 ILE A 40 15.296 16.408 -15.983 1.00 0.00 C ATOM 135 CD1 ILE A 40 12.569 16.718 -13.347 1.00 0.00 C ATOM 0 H ILE A 40 11.758 14.684 -14.743 1.00 0.00 H new ATOM 0 HA ILE A 40 13.070 15.753 -17.175 1.00 0.00 H new ATOM 0 HB ILE A 40 14.323 15.249 -14.443 1.00 0.00 H new ATOM 0 HG12 ILE A 40 13.959 17.946 -14.470 1.00 0.00 H new ATOM 0 HG13 ILE A 40 12.532 17.484 -15.375 1.00 0.00 H new ATOM 0 HG21 ILE A 40 15.942 16.936 -15.281 1.00 0.00 H new ATOM 0 HG22 ILE A 40 15.831 15.553 -16.396 1.00 0.00 H new ATOM 0 HG23 ILE A 40 15.011 17.082 -16.790 1.00 0.00 H new ATOM 0 HD11 ILE A 40 12.033 17.576 -12.940 1.00 0.00 H new ATOM 0 HD12 ILE A 40 11.864 15.911 -13.546 1.00 0.00 H new ATOM 0 HD13 ILE A 40 13.314 16.380 -12.626 1.00 0.00 H new ATOM 147 N MET A 41 14.208 13.661 -17.781 1.00 0.00 N ATOM 148 CA MET A 41 14.809 12.404 -18.213 1.00 0.00 C ATOM 149 C MET A 41 16.293 12.387 -17.878 1.00 0.00 C ATOM 150 O MET A 41 17.015 13.345 -18.156 1.00 0.00 O ATOM 151 CB MET A 41 14.623 12.226 -19.722 1.00 0.00 C ATOM 152 CG MET A 41 15.212 10.881 -20.151 1.00 0.00 C ATOM 153 SD MET A 41 14.857 10.591 -21.903 1.00 0.00 S ATOM 154 CE MET A 41 14.686 8.791 -21.807 1.00 0.00 C ATOM 0 H MET A 41 14.189 14.388 -18.496 1.00 0.00 H new ATOM 0 HA MET A 41 14.316 11.585 -17.689 1.00 0.00 H new ATOM 0 HB2 MET A 41 13.564 12.270 -19.977 1.00 0.00 H new ATOM 0 HB3 MET A 41 15.114 13.038 -20.258 1.00 0.00 H new ATOM 0 HG2 MET A 41 16.289 10.874 -19.982 1.00 0.00 H new ATOM 0 HG3 MET A 41 14.789 10.078 -19.547 1.00 0.00 H new ATOM 0 HE1 MET A 41 14.532 8.386 -22.807 1.00 0.00 H new ATOM 0 HE2 MET A 41 15.591 8.362 -21.378 1.00 0.00 H new ATOM 0 HE3 MET A 41 13.832 8.540 -21.178 1.00 0.00 H new ATOM 164 N CYS A 42 16.745 11.293 -17.277 1.00 0.00 N ATOM 165 CA CYS A 42 18.149 11.161 -16.908 1.00 0.00 C ATOM 166 C CYS A 42 18.971 10.720 -18.109 1.00 0.00 C ATOM 167 O CYS A 42 18.681 9.701 -18.722 1.00 0.00 O ATOM 168 CB CYS A 42 18.292 10.129 -15.791 1.00 0.00 C ATOM 169 SG CYS A 42 19.962 10.221 -15.099 1.00 0.00 S ATOM 0 H CYS A 42 16.164 10.490 -17.036 1.00 0.00 H new ATOM 0 HA CYS A 42 18.513 12.129 -16.563 1.00 0.00 H new ATOM 0 HB2 CYS A 42 17.553 10.315 -15.012 1.00 0.00 H new ATOM 0 HB3 CYS A 42 18.102 9.128 -16.179 1.00 0.00 H new ATOM 174 N MET A 43 19.989 11.492 -18.447 1.00 0.00 N ATOM 175 CA MET A 43 20.826 11.152 -19.589 1.00 0.00 C ATOM 176 C MET A 43 21.658 9.899 -19.300 1.00 0.00 C ATOM 177 O MET A 43 22.454 9.469 -20.136 1.00 0.00 O ATOM 178 CB MET A 43 21.756 12.328 -19.919 1.00 0.00 C ATOM 179 CG MET A 43 22.203 13.006 -18.620 1.00 0.00 C ATOM 180 SD MET A 43 23.641 14.053 -18.955 1.00 0.00 S ATOM 181 CE MET A 43 24.902 12.781 -18.706 1.00 0.00 C ATOM 0 H MET A 43 20.255 12.346 -17.957 1.00 0.00 H new ATOM 0 HA MET A 43 20.179 10.948 -20.442 1.00 0.00 H new ATOM 0 HB2 MET A 43 22.624 11.974 -20.474 1.00 0.00 H new ATOM 0 HB3 MET A 43 21.240 13.045 -20.557 1.00 0.00 H new ATOM 0 HG2 MET A 43 21.390 13.606 -18.211 1.00 0.00 H new ATOM 0 HG3 MET A 43 22.453 12.254 -17.871 1.00 0.00 H new ATOM 0 HE1 MET A 43 25.890 13.212 -18.865 1.00 0.00 H new ATOM 0 HE2 MET A 43 24.834 12.395 -17.689 1.00 0.00 H new ATOM 0 HE3 MET A 43 24.743 11.968 -19.414 1.00 0.00 H new ATOM 191 N ARG A 44 21.474 9.319 -18.111 1.00 0.00 N ATOM 192 CA ARG A 44 22.222 8.120 -17.716 1.00 0.00 C ATOM 193 C ARG A 44 21.311 6.898 -17.630 1.00 0.00 C ATOM 194 O ARG A 44 21.159 6.151 -18.597 1.00 0.00 O ATOM 195 CB ARG A 44 22.878 8.362 -16.348 1.00 0.00 C ATOM 196 CG ARG A 44 24.046 9.365 -16.481 1.00 0.00 C ATOM 197 CD ARG A 44 25.375 8.611 -16.612 1.00 0.00 C ATOM 198 NE ARG A 44 25.377 7.792 -17.818 1.00 0.00 N ATOM 199 CZ ARG A 44 26.173 6.733 -17.928 1.00 0.00 C ATOM 200 NH1 ARG A 44 26.962 6.405 -16.940 1.00 0.00 N ATOM 201 NH2 ARG A 44 26.163 6.020 -19.020 1.00 0.00 N1+ ATOM 0 H ARG A 44 20.817 9.657 -17.408 1.00 0.00 H new ATOM 0 HA ARG A 44 22.981 7.925 -18.473 1.00 0.00 H new ATOM 0 HB2 ARG A 44 22.138 8.746 -15.646 1.00 0.00 H new ATOM 0 HB3 ARG A 44 23.244 7.419 -15.941 1.00 0.00 H new ATOM 0 HG2 ARG A 44 23.892 10.001 -17.353 1.00 0.00 H new ATOM 0 HG3 ARG A 44 24.075 10.020 -15.610 1.00 0.00 H new ATOM 0 HD2 ARG A 44 26.202 9.321 -16.645 1.00 0.00 H new ATOM 0 HD3 ARG A 44 25.531 7.981 -15.736 1.00 0.00 H new ATOM 0 HE ARG A 44 24.757 8.036 -18.591 1.00 0.00 H new ATOM 0 HH11 ARG A 44 26.967 6.961 -16.085 1.00 0.00 H new ATOM 0 HH12 ARG A 44 27.573 5.593 -17.023 1.00 0.00 H new ATOM 0 HH21 ARG A 44 25.544 6.275 -19.790 1.00 0.00 H new ATOM 0 HH22 ARG A 44 26.774 5.207 -19.104 1.00 0.00 H new ATOM 215 N CYS A 45 20.713 6.700 -16.461 1.00 0.00 N ATOM 216 CA CYS A 45 19.830 5.559 -16.251 1.00 0.00 C ATOM 217 C CYS A 45 18.518 5.731 -17.015 1.00 0.00 C ATOM 218 O CYS A 45 17.550 5.009 -16.769 1.00 0.00 O ATOM 219 CB CYS A 45 19.544 5.382 -14.758 1.00 0.00 C ATOM 220 SG CYS A 45 18.633 6.820 -14.144 1.00 0.00 S ATOM 0 H CYS A 45 20.822 7.309 -15.650 1.00 0.00 H new ATOM 0 HA CYS A 45 20.332 4.669 -16.630 1.00 0.00 H new ATOM 0 HB2 CYS A 45 18.965 4.473 -14.593 1.00 0.00 H new ATOM 0 HB3 CYS A 45 20.479 5.268 -14.209 1.00 0.00 H new ATOM 225 N ARG A 46 18.491 6.682 -17.946 1.00 0.00 N ATOM 226 CA ARG A 46 17.288 6.929 -18.746 1.00 0.00 C ATOM 227 C ARG A 46 16.030 6.809 -17.892 1.00 0.00 C ATOM 228 O ARG A 46 14.987 6.356 -18.363 1.00 0.00 O ATOM 229 CB ARG A 46 17.224 5.928 -19.907 1.00 0.00 C ATOM 230 CG ARG A 46 18.483 6.047 -20.779 1.00 0.00 C ATOM 231 CD ARG A 46 18.371 7.259 -21.715 1.00 0.00 C ATOM 232 NE ARG A 46 19.482 7.262 -22.666 1.00 0.00 N ATOM 233 CZ ARG A 46 19.773 8.348 -23.378 1.00 0.00 C ATOM 234 NH1 ARG A 46 19.068 9.432 -23.224 1.00 0.00 N ATOM 235 NH2 ARG A 46 20.764 8.326 -24.230 1.00 0.00 N1+ ATOM 0 H ARG A 46 19.279 7.291 -18.166 1.00 0.00 H new ATOM 0 HA ARG A 46 17.340 7.944 -19.140 1.00 0.00 H new ATOM 0 HB2 ARG A 46 17.137 4.914 -19.518 1.00 0.00 H new ATOM 0 HB3 ARG A 46 16.336 6.116 -20.510 1.00 0.00 H new ATOM 0 HG2 ARG A 46 19.364 6.149 -20.145 1.00 0.00 H new ATOM 0 HG3 ARG A 46 18.615 5.137 -21.365 1.00 0.00 H new ATOM 0 HD2 ARG A 46 17.423 7.228 -22.251 1.00 0.00 H new ATOM 0 HD3 ARG A 46 18.378 8.180 -21.133 1.00 0.00 H new ATOM 0 HE ARG A 46 20.043 6.418 -22.785 1.00 0.00 H new ATOM 0 HH11 ARG A 46 18.295 9.447 -22.559 1.00 0.00 H new ATOM 0 HH12 ARG A 46 19.289 10.266 -23.768 1.00 0.00 H new ATOM 0 HH21 ARG A 46 21.315 7.476 -24.350 1.00 0.00 H new ATOM 0 HH22 ARG A 46 20.986 9.159 -24.775 1.00 0.00 H new ATOM 249 N LYS A 47 16.134 7.229 -16.634 1.00 0.00 N ATOM 250 CA LYS A 47 15.000 7.173 -15.716 1.00 0.00 C ATOM 251 C LYS A 47 14.231 8.489 -15.744 1.00 0.00 C ATOM 252 O LYS A 47 14.799 9.558 -15.518 1.00 0.00 O ATOM 253 CB LYS A 47 15.498 6.898 -14.295 1.00 0.00 C ATOM 254 CG LYS A 47 14.300 6.733 -13.360 1.00 0.00 C ATOM 255 CD LYS A 47 14.792 6.393 -11.953 1.00 0.00 C ATOM 256 CE LYS A 47 13.591 6.213 -11.026 1.00 0.00 C ATOM 257 NZ LYS A 47 14.069 5.887 -9.654 1.00 0.00 N1+ ATOM 0 H LYS A 47 16.988 7.610 -16.228 1.00 0.00 H new ATOM 0 HA LYS A 47 14.334 6.369 -16.029 1.00 0.00 H new ATOM 0 HB2 LYS A 47 16.111 5.997 -14.281 1.00 0.00 H new ATOM 0 HB3 LYS A 47 16.129 7.719 -13.954 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.713 7.651 -13.339 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.644 5.944 -13.728 1.00 0.00 H new ATOM 0 HD2 LYS A 47 15.389 5.481 -11.975 1.00 0.00 H new ATOM 0 HD3 LYS A 47 15.438 7.188 -11.580 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.992 7.124 -11.008 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.947 5.416 -11.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.252 5.764 -9.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.623 5.007 -9.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.666 6.662 -9.301 1.00 0.00 H new ATOM 271 N VAL A 48 12.932 8.399 -16.026 1.00 0.00 N ATOM 272 CA VAL A 48 12.076 9.583 -16.085 1.00 0.00 C ATOM 273 C VAL A 48 11.293 9.727 -14.782 1.00 0.00 C ATOM 274 O VAL A 48 10.685 8.771 -14.302 1.00 0.00 O ATOM 275 CB VAL A 48 11.106 9.464 -17.261 1.00 0.00 C ATOM 276 CG1 VAL A 48 10.198 10.693 -17.298 1.00 0.00 C ATOM 277 CG2 VAL A 48 11.902 9.381 -18.565 1.00 0.00 C ATOM 0 H VAL A 48 12.450 7.521 -16.217 1.00 0.00 H new ATOM 0 HA VAL A 48 12.701 10.465 -16.224 1.00 0.00 H new ATOM 0 HB VAL A 48 10.498 8.567 -17.145 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.506 10.609 -18.136 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.634 10.757 -16.367 1.00 0.00 H new ATOM 0 HG13 VAL A 48 10.805 11.590 -17.417 1.00 0.00 H new ATOM 0 HG21 VAL A 48 11.214 9.296 -19.406 1.00 0.00 H new ATOM 0 HG22 VAL A 48 12.507 10.281 -18.680 1.00 0.00 H new ATOM 0 HG23 VAL A 48 12.553 8.507 -18.539 1.00 0.00 H new ATOM 287 N LYS A 49 11.324 10.926 -14.215 1.00 0.00 N ATOM 288 CA LYS A 49 10.626 11.191 -12.965 1.00 0.00 C ATOM 289 C LYS A 49 10.441 12.696 -12.779 1.00 0.00 C ATOM 290 O LYS A 49 10.991 13.498 -13.532 1.00 0.00 O ATOM 291 CB LYS A 49 11.415 10.600 -11.773 1.00 0.00 C ATOM 292 CG LYS A 49 10.707 9.362 -11.190 1.00 0.00 C ATOM 293 CD LYS A 49 9.533 9.802 -10.305 1.00 0.00 C ATOM 294 CE LYS A 49 8.819 8.572 -9.734 1.00 0.00 C ATOM 295 NZ LYS A 49 7.682 9.024 -8.885 1.00 0.00 N1+ ATOM 0 H LYS A 49 11.823 11.728 -14.600 1.00 0.00 H new ATOM 0 HA LYS A 49 9.646 10.716 -13.003 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.419 10.328 -12.098 1.00 0.00 H new ATOM 0 HB3 LYS A 49 11.526 11.357 -10.997 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.347 8.724 -11.997 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.412 8.770 -10.607 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.895 10.432 -9.493 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.833 10.402 -10.887 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.456 7.938 -10.543 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.514 7.972 -9.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.191 8.195 -8.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.042 9.613 -8.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.018 9.579 -9.461 1.00 0.00 H new ATOM 309 N GLY A 50 9.668 13.055 -11.759 1.00 0.00 N ATOM 310 CA GLY A 50 9.398 14.456 -11.446 1.00 0.00 C ATOM 311 C GLY A 50 10.392 14.988 -10.420 1.00 0.00 C ATOM 312 O GLY A 50 11.376 14.323 -10.088 1.00 0.00 O ATOM 0 H GLY A 50 9.215 12.391 -11.131 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.455 15.053 -12.356 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.383 14.557 -11.061 1.00 0.00 H new ATOM 316 N ILE A 51 10.135 16.196 -9.929 1.00 0.00 N ATOM 317 CA ILE A 51 11.016 16.814 -8.944 1.00 0.00 C ATOM 318 C ILE A 51 11.271 15.878 -7.758 1.00 0.00 C ATOM 319 O ILE A 51 12.095 16.173 -6.893 1.00 0.00 O ATOM 320 CB ILE A 51 10.386 18.115 -8.447 1.00 0.00 C ATOM 321 CG1 ILE A 51 11.385 18.879 -7.579 1.00 0.00 C ATOM 322 CG2 ILE A 51 9.138 17.798 -7.622 1.00 0.00 C ATOM 323 CD1 ILE A 51 10.876 20.305 -7.372 1.00 0.00 C ATOM 0 H ILE A 51 9.330 16.763 -10.194 1.00 0.00 H new ATOM 0 HA ILE A 51 11.974 17.021 -9.422 1.00 0.00 H new ATOM 0 HB ILE A 51 10.112 18.728 -9.306 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.507 18.380 -6.618 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.364 18.895 -8.057 1.00 0.00 H new ATOM 0 HG21 ILE A 51 8.690 18.727 -7.268 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.419 17.261 -8.241 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.414 17.180 -6.768 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.583 20.858 -6.753 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.776 20.799 -8.338 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.906 20.277 -6.877 1.00 0.00 H new ATOM 335 N ASP A 52 10.583 14.739 -7.733 1.00 0.00 N ATOM 336 CA ASP A 52 10.765 13.764 -6.659 1.00 0.00 C ATOM 337 C ASP A 52 12.125 13.076 -6.776 1.00 0.00 C ATOM 338 O ASP A 52 12.870 12.981 -5.802 1.00 0.00 O ATOM 339 CB ASP A 52 9.658 12.711 -6.730 1.00 0.00 C ATOM 340 CG ASP A 52 9.881 11.642 -5.667 1.00 0.00 C ATOM 341 OD1 ASP A 52 10.746 11.837 -4.828 1.00 0.00 O ATOM 342 OD2 ASP A 52 9.183 10.642 -5.709 1.00 0.00 O1- ATOM 0 H ASP A 52 9.898 14.469 -8.439 1.00 0.00 H new ATOM 0 HA ASP A 52 10.719 14.289 -5.705 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.687 13.183 -6.583 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.644 12.253 -7.719 1.00 0.00 H new ATOM 347 N SER A 53 12.441 12.602 -7.984 1.00 0.00 N ATOM 348 CA SER A 53 13.724 11.927 -8.223 1.00 0.00 C ATOM 349 C SER A 53 14.798 12.938 -8.624 1.00 0.00 C ATOM 350 O SER A 53 15.929 12.563 -8.938 1.00 0.00 O ATOM 351 CB SER A 53 13.595 10.864 -9.318 1.00 0.00 C ATOM 352 OG SER A 53 13.751 11.481 -10.586 1.00 0.00 O ATOM 0 H SER A 53 11.837 12.670 -8.803 1.00 0.00 H new ATOM 0 HA SER A 53 14.015 11.440 -7.293 1.00 0.00 H new ATOM 0 HB2 SER A 53 14.350 10.090 -9.181 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.623 10.375 -9.255 1.00 0.00 H new ATOM 0 HG SER A 53 14.270 10.894 -11.174 1.00 0.00 H new ATOM 358 N TYR A 54 14.441 14.224 -8.609 1.00 0.00 N ATOM 359 CA TYR A 54 15.382 15.293 -8.965 1.00 0.00 C ATOM 360 C TYR A 54 15.501 16.310 -7.829 1.00 0.00 C ATOM 361 O TYR A 54 14.499 16.737 -7.255 1.00 0.00 O ATOM 362 CB TYR A 54 14.906 16.000 -10.259 1.00 0.00 C ATOM 363 CG TYR A 54 15.554 15.359 -11.475 1.00 0.00 C ATOM 364 CD1 TYR A 54 15.130 14.102 -11.926 1.00 0.00 C ATOM 365 CD2 TYR A 54 16.594 16.022 -12.138 1.00 0.00 C ATOM 366 CE1 TYR A 54 15.747 13.510 -13.034 1.00 0.00 C ATOM 367 CE2 TYR A 54 17.206 15.432 -13.244 1.00 0.00 C ATOM 368 CZ TYR A 54 16.786 14.175 -13.694 1.00 0.00 C ATOM 369 OH TYR A 54 17.401 13.592 -14.784 1.00 0.00 O ATOM 0 H TYR A 54 13.509 14.552 -8.355 1.00 0.00 H new ATOM 0 HA TYR A 54 16.363 14.850 -9.134 1.00 0.00 H new ATOM 0 HB2 TYR A 54 13.821 15.935 -10.339 1.00 0.00 H new ATOM 0 HB3 TYR A 54 15.160 17.059 -10.218 1.00 0.00 H new ATOM 0 HD1 TYR A 54 14.326 13.589 -11.418 1.00 0.00 H new ATOM 0 HD2 TYR A 54 16.923 16.991 -11.793 1.00 0.00 H new ATOM 0 HE1 TYR A 54 15.421 12.540 -13.379 1.00 0.00 H new ATOM 0 HE2 TYR A 54 18.006 15.947 -13.755 1.00 0.00 H new ATOM 0 HH TYR A 54 18.100 14.189 -15.123 1.00 0.00 H new ATOM 379 N SER A 55 16.737 16.698 -7.521 1.00 0.00 N ATOM 380 CA SER A 55 16.992 17.672 -6.469 1.00 0.00 C ATOM 381 C SER A 55 16.501 19.046 -6.906 1.00 0.00 C ATOM 382 O SER A 55 16.327 19.303 -8.097 1.00 0.00 O ATOM 383 CB SER A 55 18.491 17.728 -6.168 1.00 0.00 C ATOM 384 OG SER A 55 18.916 16.462 -5.679 1.00 0.00 O ATOM 0 H SER A 55 17.576 16.351 -7.987 1.00 0.00 H new ATOM 0 HA SER A 55 16.457 17.373 -5.568 1.00 0.00 H new ATOM 0 HB2 SER A 55 19.046 17.988 -7.069 1.00 0.00 H new ATOM 0 HB3 SER A 55 18.698 18.504 -5.431 1.00 0.00 H new ATOM 0 HG SER A 55 19.876 16.491 -5.486 1.00 0.00 H new ATOM 390 N LYS A 56 16.273 19.921 -5.937 1.00 0.00 N ATOM 391 CA LYS A 56 15.793 21.263 -6.230 1.00 0.00 C ATOM 392 C LYS A 56 16.794 21.998 -7.117 1.00 0.00 C ATOM 393 O LYS A 56 16.411 22.697 -8.057 1.00 0.00 O ATOM 394 CB LYS A 56 15.608 22.032 -4.919 1.00 0.00 C ATOM 395 CG LYS A 56 14.959 23.392 -5.197 1.00 0.00 C ATOM 396 CD LYS A 56 14.871 24.207 -3.899 1.00 0.00 C ATOM 397 CE LYS A 56 13.821 23.612 -2.956 1.00 0.00 C ATOM 398 NZ LYS A 56 13.513 24.605 -1.884 1.00 0.00 N1+ ATOM 0 H LYS A 56 16.412 19.727 -4.945 1.00 0.00 H new ATOM 0 HA LYS A 56 14.840 21.195 -6.755 1.00 0.00 H new ATOM 0 HB2 LYS A 56 14.986 21.456 -4.234 1.00 0.00 H new ATOM 0 HB3 LYS A 56 16.572 22.173 -4.431 1.00 0.00 H new ATOM 0 HG2 LYS A 56 15.542 23.937 -5.940 1.00 0.00 H new ATOM 0 HG3 LYS A 56 13.962 23.250 -5.615 1.00 0.00 H new ATOM 0 HD2 LYS A 56 15.843 24.221 -3.406 1.00 0.00 H new ATOM 0 HD3 LYS A 56 14.615 25.241 -4.130 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.916 23.363 -3.510 1.00 0.00 H new ATOM 0 HE3 LYS A 56 14.191 22.686 -2.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.800 24.209 -1.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.380 24.821 -1.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 13.144 25.477 -2.314 1.00 0.00 H new ATOM 412 N THR A 57 18.076 21.842 -6.804 1.00 0.00 N ATOM 413 CA THR A 57 19.125 22.503 -7.572 1.00 0.00 C ATOM 414 C THR A 57 19.121 22.016 -9.019 1.00 0.00 C ATOM 415 O THR A 57 19.121 22.821 -9.947 1.00 0.00 O ATOM 416 CB THR A 57 20.501 22.231 -6.939 1.00 0.00 C ATOM 417 OG1 THR A 57 21.490 22.189 -7.957 1.00 0.00 O ATOM 418 CG2 THR A 57 20.483 20.889 -6.201 1.00 0.00 C ATOM 0 H THR A 57 18.412 21.268 -6.030 1.00 0.00 H new ATOM 0 HA THR A 57 18.930 23.575 -7.561 1.00 0.00 H new ATOM 0 HB THR A 57 20.730 23.028 -6.232 1.00 0.00 H new ATOM 0 HG1 THR A 57 22.367 22.017 -7.554 1.00 0.00 H new ATOM 0 HG21 THR A 57 21.461 20.705 -5.756 1.00 0.00 H new ATOM 0 HG22 THR A 57 19.727 20.915 -5.416 1.00 0.00 H new ATOM 0 HG23 THR A 57 20.248 20.090 -6.904 1.00 0.00 H new ATOM 426 N GLN A 58 19.117 20.700 -9.202 1.00 0.00 N ATOM 427 CA GLN A 58 19.118 20.123 -10.544 1.00 0.00 C ATOM 428 C GLN A 58 17.834 20.478 -11.284 1.00 0.00 C ATOM 429 O GLN A 58 17.861 20.820 -12.465 1.00 0.00 O ATOM 430 CB GLN A 58 19.253 18.603 -10.455 1.00 0.00 C ATOM 431 CG GLN A 58 20.649 18.246 -9.944 1.00 0.00 C ATOM 432 CD GLN A 58 20.778 16.733 -9.809 1.00 0.00 C ATOM 433 OE1 GLN A 58 21.891 16.220 -9.361 1.00 0.00 O flip ATOM 434 NE2 GLN A 58 19.842 15.999 -10.122 1.00 0.00 N flip ATOM 0 H GLN A 58 19.113 20.016 -8.445 1.00 0.00 H new ATOM 0 HA GLN A 58 19.964 20.534 -11.095 1.00 0.00 H new ATOM 0 HB2 GLN A 58 18.494 18.198 -9.785 1.00 0.00 H new ATOM 0 HB3 GLN A 58 19.086 18.154 -11.434 1.00 0.00 H new ATOM 0 HG2 GLN A 58 21.406 18.625 -10.631 1.00 0.00 H new ATOM 0 HG3 GLN A 58 20.826 18.723 -8.980 1.00 0.00 H new ATOM 0 HE21 GLN A 58 18.973 16.402 -10.472 1.00 0.00 H new ATOM 0 HE22 GLN A 58 19.935 14.987 -10.032 1.00 0.00 H new ATOM 443 N TRP A 59 16.711 20.397 -10.584 1.00 0.00 N ATOM 444 CA TRP A 59 15.420 20.717 -11.178 1.00 0.00 C ATOM 445 C TRP A 59 15.362 22.192 -11.575 1.00 0.00 C ATOM 446 O TRP A 59 14.783 22.548 -12.598 1.00 0.00 O ATOM 447 CB TRP A 59 14.294 20.410 -10.187 1.00 0.00 C ATOM 448 CG TRP A 59 12.973 20.727 -10.816 1.00 0.00 C ATOM 449 CD1 TRP A 59 12.395 20.008 -11.805 1.00 0.00 C ATOM 450 CD2 TRP A 59 12.058 21.820 -10.517 1.00 0.00 C ATOM 451 NE1 TRP A 59 11.184 20.590 -12.134 1.00 0.00 N ATOM 452 CE2 TRP A 59 10.931 21.711 -11.369 1.00 0.00 C ATOM 453 CE3 TRP A 59 12.094 22.887 -9.600 1.00 0.00 C ATOM 454 CZ2 TRP A 59 9.882 22.628 -11.314 1.00 0.00 C ATOM 455 CZ3 TRP A 59 11.036 23.810 -9.543 1.00 0.00 C ATOM 456 CH2 TRP A 59 9.933 23.681 -10.398 1.00 0.00 C ATOM 0 H TRP A 59 16.667 20.113 -9.605 1.00 0.00 H new ATOM 0 HA TRP A 59 15.293 20.105 -12.071 1.00 0.00 H new ATOM 0 HB2 TRP A 59 14.327 19.360 -9.896 1.00 0.00 H new ATOM 0 HB3 TRP A 59 14.426 20.997 -9.278 1.00 0.00 H new ATOM 0 HD1 TRP A 59 12.811 19.123 -12.263 1.00 0.00 H new ATOM 0 HE1 TRP A 59 10.555 20.234 -12.854 1.00 0.00 H new ATOM 0 HE3 TRP A 59 12.939 22.997 -8.937 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 9.035 22.525 -11.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 11.073 24.625 -8.835 1.00 0.00 H new ATOM 0 HH2 TRP A 59 9.124 24.395 -10.349 1.00 0.00 H new ATOM 467 N SER A 60 15.966 23.046 -10.752 1.00 0.00 N ATOM 468 CA SER A 60 15.973 24.482 -11.019 1.00 0.00 C ATOM 469 C SER A 60 16.658 24.786 -12.349 1.00 0.00 C ATOM 470 O SER A 60 16.423 25.835 -12.950 1.00 0.00 O ATOM 471 CB SER A 60 16.700 25.221 -9.894 1.00 0.00 C ATOM 472 OG SER A 60 17.072 26.517 -10.348 1.00 0.00 O ATOM 0 H SER A 60 16.454 22.771 -9.900 1.00 0.00 H new ATOM 0 HA SER A 60 14.938 24.821 -11.072 1.00 0.00 H new ATOM 0 HB2 SER A 60 16.055 25.301 -9.019 1.00 0.00 H new ATOM 0 HB3 SER A 60 17.584 24.662 -9.588 1.00 0.00 H new ATOM 0 HG SER A 60 17.537 26.994 -9.629 1.00 0.00 H new ATOM 478 N LYS A 61 17.505 23.868 -12.800 1.00 0.00 N ATOM 479 CA LYS A 61 18.218 24.053 -14.060 1.00 0.00 C ATOM 480 C LYS A 61 17.300 23.762 -15.240 1.00 0.00 C ATOM 481 O LYS A 61 17.649 24.023 -16.388 1.00 0.00 O ATOM 482 CB LYS A 61 19.424 23.117 -14.120 1.00 0.00 C ATOM 483 CG LYS A 61 20.401 23.481 -13.006 1.00 0.00 C ATOM 484 CD LYS A 61 21.578 22.510 -13.023 1.00 0.00 C ATOM 485 CE LYS A 61 22.502 22.828 -11.852 1.00 0.00 C ATOM 486 NZ LYS A 61 23.649 21.877 -11.850 1.00 0.00 N1+ ATOM 0 H LYS A 61 17.714 22.994 -12.317 1.00 0.00 H new ATOM 0 HA LYS A 61 18.554 25.088 -14.115 1.00 0.00 H new ATOM 0 HB2 LYS A 61 19.101 22.082 -14.012 1.00 0.00 H new ATOM 0 HB3 LYS A 61 19.914 23.198 -15.090 1.00 0.00 H new ATOM 0 HG2 LYS A 61 20.757 24.503 -13.139 1.00 0.00 H new ATOM 0 HG3 LYS A 61 19.898 23.442 -12.040 1.00 0.00 H new ATOM 0 HD2 LYS A 61 21.220 21.483 -12.952 1.00 0.00 H new ATOM 0 HD3 LYS A 61 22.121 22.593 -13.964 1.00 0.00 H new ATOM 0 HE2 LYS A 61 22.866 23.853 -11.930 1.00 0.00 H new ATOM 0 HE3 LYS A 61 21.954 22.755 -10.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 24.279 22.094 -11.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 23.293 20.904 -11.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 24.177 21.968 -12.742 1.00 0.00 H new ATOM 500 N THR A 62 16.129 23.207 -14.945 1.00 0.00 N ATOM 501 CA THR A 62 15.163 22.873 -15.992 1.00 0.00 C ATOM 502 C THR A 62 14.550 24.139 -16.589 1.00 0.00 C ATOM 503 O THR A 62 13.959 24.105 -17.668 1.00 0.00 O ATOM 504 CB THR A 62 14.048 21.989 -15.426 1.00 0.00 C ATOM 505 OG1 THR A 62 13.332 22.709 -14.434 1.00 0.00 O ATOM 506 CG2 THR A 62 14.650 20.726 -14.810 1.00 0.00 C ATOM 0 H THR A 62 15.825 22.979 -13.998 1.00 0.00 H new ATOM 0 HA THR A 62 15.693 22.332 -16.776 1.00 0.00 H new ATOM 0 HB THR A 62 13.369 21.705 -16.230 1.00 0.00 H new ATOM 0 HG1 THR A 62 13.649 22.445 -13.545 1.00 0.00 H new ATOM 0 HG21 THR A 62 13.852 20.101 -14.409 1.00 0.00 H new ATOM 0 HG22 THR A 62 15.195 20.172 -15.575 1.00 0.00 H new ATOM 0 HG23 THR A 62 15.333 21.003 -14.007 1.00 0.00 H new ATOM 514 N PHE A 63 14.695 25.251 -15.871 1.00 0.00 N ATOM 515 CA PHE A 63 14.161 26.536 -16.314 1.00 0.00 C ATOM 516 C PHE A 63 15.106 27.662 -15.906 1.00 0.00 C ATOM 517 O PHE A 63 15.879 27.525 -14.955 1.00 0.00 O ATOM 518 CB PHE A 63 12.773 26.774 -15.697 1.00 0.00 C ATOM 519 CG PHE A 63 12.883 26.805 -14.191 1.00 0.00 C ATOM 520 CD1 PHE A 63 13.276 27.980 -13.539 1.00 0.00 C ATOM 521 CD2 PHE A 63 12.591 25.655 -13.447 1.00 0.00 C ATOM 522 CE1 PHE A 63 13.378 28.004 -12.143 1.00 0.00 C ATOM 523 CE2 PHE A 63 12.693 25.679 -12.053 1.00 0.00 C ATOM 524 CZ PHE A 63 13.086 26.854 -11.399 1.00 0.00 C ATOM 0 H PHE A 63 15.181 25.287 -14.975 1.00 0.00 H new ATOM 0 HA PHE A 63 14.069 26.522 -17.400 1.00 0.00 H new ATOM 0 HB2 PHE A 63 12.360 27.715 -16.060 1.00 0.00 H new ATOM 0 HB3 PHE A 63 12.087 25.984 -16.005 1.00 0.00 H new ATOM 0 HD1 PHE A 63 13.500 28.867 -14.113 1.00 0.00 H new ATOM 0 HD2 PHE A 63 12.287 24.749 -13.950 1.00 0.00 H new ATOM 0 HE1 PHE A 63 13.682 28.910 -11.640 1.00 0.00 H new ATOM 0 HE2 PHE A 63 12.469 24.791 -11.480 1.00 0.00 H new ATOM 0 HZ PHE A 63 13.164 26.873 -10.322 1.00 0.00 H new ATOM 534 N THR A 64 15.046 28.774 -16.636 1.00 0.00 N ATOM 535 CA THR A 64 15.904 29.930 -16.355 1.00 0.00 C ATOM 536 C THR A 64 15.042 31.145 -16.040 1.00 0.00 C ATOM 537 O THR A 64 13.822 31.110 -16.199 1.00 0.00 O ATOM 538 CB THR A 64 16.795 30.238 -17.570 1.00 0.00 C ATOM 539 OG1 THR A 64 16.138 31.165 -18.421 1.00 0.00 O ATOM 540 CG2 THR A 64 17.068 28.948 -18.342 1.00 0.00 C ATOM 0 H THR A 64 14.414 28.902 -17.426 1.00 0.00 H new ATOM 0 HA THR A 64 16.536 29.698 -15.498 1.00 0.00 H new ATOM 0 HB THR A 64 17.737 30.665 -17.227 1.00 0.00 H new ATOM 0 HG1 THR A 64 16.708 31.361 -19.194 1.00 0.00 H new ATOM 0 HG21 THR A 64 17.700 29.166 -19.203 1.00 0.00 H new ATOM 0 HG22 THR A 64 17.575 28.235 -17.692 1.00 0.00 H new ATOM 0 HG23 THR A 64 16.125 28.521 -18.683 1.00 0.00 H new ATOM 548 N PHE A 65 15.678 32.217 -15.579 1.00 0.00 N ATOM 549 CA PHE A 65 14.956 33.444 -15.236 1.00 0.00 C ATOM 550 C PHE A 65 15.294 34.548 -16.236 1.00 0.00 C ATOM 551 O PHE A 65 16.456 34.923 -16.391 1.00 0.00 O ATOM 552 CB PHE A 65 15.340 33.872 -13.798 1.00 0.00 C ATOM 553 CG PHE A 65 14.096 34.137 -12.975 1.00 0.00 C ATOM 554 CD1 PHE A 65 13.161 33.113 -12.787 1.00 0.00 C ATOM 555 CD2 PHE A 65 13.872 35.401 -12.409 1.00 0.00 C ATOM 556 CE1 PHE A 65 12.005 33.346 -12.035 1.00 0.00 C ATOM 557 CE2 PHE A 65 12.712 35.634 -11.656 1.00 0.00 C ATOM 558 CZ PHE A 65 11.780 34.607 -11.469 1.00 0.00 C ATOM 0 H PHE A 65 16.686 32.265 -15.434 1.00 0.00 H new ATOM 0 HA PHE A 65 13.882 33.264 -15.280 1.00 0.00 H new ATOM 0 HB2 PHE A 65 15.936 33.091 -13.326 1.00 0.00 H new ATOM 0 HB3 PHE A 65 15.959 34.769 -13.832 1.00 0.00 H new ATOM 0 HD1 PHE A 65 13.332 32.140 -13.224 1.00 0.00 H new ATOM 0 HD2 PHE A 65 14.592 36.193 -12.553 1.00 0.00 H new ATOM 0 HE1 PHE A 65 11.286 32.553 -11.891 1.00 0.00 H new ATOM 0 HE2 PHE A 65 12.538 36.607 -11.220 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.887 34.787 -10.888 1.00 0.00 H new ATOM 568 N VAL A 66 14.269 35.066 -16.908 1.00 0.00 N ATOM 569 CA VAL A 66 14.455 36.135 -17.892 1.00 0.00 C ATOM 570 C VAL A 66 13.535 37.304 -17.567 1.00 0.00 C ATOM 571 O VAL A 66 12.327 37.130 -17.409 1.00 0.00 O ATOM 572 CB VAL A 66 14.148 35.604 -19.295 1.00 0.00 C ATOM 573 CG1 VAL A 66 14.129 36.762 -20.296 1.00 0.00 C ATOM 574 CG2 VAL A 66 15.227 34.596 -19.695 1.00 0.00 C ATOM 0 H VAL A 66 13.301 34.765 -16.791 1.00 0.00 H new ATOM 0 HA VAL A 66 15.489 36.478 -17.858 1.00 0.00 H new ATOM 0 HB VAL A 66 13.172 35.119 -19.296 1.00 0.00 H new ATOM 0 HG11 VAL A 66 13.910 36.378 -21.292 1.00 0.00 H new ATOM 0 HG12 VAL A 66 13.362 37.480 -20.007 1.00 0.00 H new ATOM 0 HG13 VAL A 66 15.102 37.254 -20.302 1.00 0.00 H new ATOM 0 HG21 VAL A 66 15.015 34.213 -20.693 1.00 0.00 H new ATOM 0 HG22 VAL A 66 16.201 35.086 -19.693 1.00 0.00 H new ATOM 0 HG23 VAL A 66 15.235 33.770 -18.984 1.00 0.00 H new ATOM 584 N ARG A 67 14.115 38.493 -17.472 1.00 0.00 N ATOM 585 CA ARG A 67 13.341 39.693 -17.168 1.00 0.00 C ATOM 586 C ARG A 67 12.299 39.416 -16.084 1.00 0.00 C ATOM 587 O ARG A 67 11.202 39.971 -16.111 1.00 0.00 O ATOM 588 CB ARG A 67 12.645 40.189 -18.434 1.00 0.00 C ATOM 589 CG ARG A 67 13.698 40.527 -19.489 1.00 0.00 C ATOM 590 CD ARG A 67 13.007 41.020 -20.760 1.00 0.00 C ATOM 591 NE ARG A 67 12.258 39.933 -21.383 1.00 0.00 N ATOM 592 CZ ARG A 67 11.523 40.142 -22.471 1.00 0.00 C ATOM 593 NH1 ARG A 67 11.464 41.333 -23.000 1.00 0.00 N ATOM 594 NH2 ARG A 67 10.862 39.155 -23.011 1.00 0.00 N1+ ATOM 0 H ARG A 67 15.114 38.654 -17.600 1.00 0.00 H new ATOM 0 HA ARG A 67 14.025 40.457 -16.798 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.966 39.425 -18.813 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.042 41.069 -18.210 1.00 0.00 H new ATOM 0 HG2 ARG A 67 14.375 41.293 -19.110 1.00 0.00 H new ATOM 0 HG3 ARG A 67 14.303 39.647 -19.709 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.334 41.844 -20.520 1.00 0.00 H new ATOM 0 HD3 ARG A 67 13.749 41.407 -21.459 1.00 0.00 H new ATOM 0 HE ARG A 67 12.299 38.998 -20.977 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.982 42.104 -22.579 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.900 41.493 -23.835 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.909 38.223 -22.598 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.298 39.315 -23.846 1.00 0.00 H new ATOM 608 N GLY A 68 12.651 38.555 -15.132 1.00 0.00 N ATOM 609 CA GLY A 68 11.737 38.217 -14.047 1.00 0.00 C ATOM 610 C GLY A 68 10.615 37.307 -14.537 1.00 0.00 C ATOM 611 O GLY A 68 9.505 37.335 -14.007 1.00 0.00 O ATOM 0 H GLY A 68 13.554 38.083 -15.090 1.00 0.00 H new ATOM 0 HA2 GLY A 68 12.286 37.723 -13.245 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.313 39.129 -13.628 1.00 0.00 H new ATOM 615 N ARG A 69 10.910 36.502 -15.558 1.00 0.00 N ATOM 616 CA ARG A 69 9.917 35.581 -16.123 1.00 0.00 C ATOM 617 C ARG A 69 10.484 34.166 -16.191 1.00 0.00 C ATOM 618 O ARG A 69 11.579 33.949 -16.712 1.00 0.00 O ATOM 619 CB ARG A 69 9.528 36.039 -17.532 1.00 0.00 C ATOM 620 CG ARG A 69 8.409 35.145 -18.080 1.00 0.00 C ATOM 621 CD ARG A 69 8.039 35.600 -19.494 1.00 0.00 C ATOM 622 NE ARG A 69 7.662 37.007 -19.490 1.00 0.00 N ATOM 623 CZ ARG A 69 7.527 37.682 -20.625 1.00 0.00 C ATOM 624 NH1 ARG A 69 7.740 37.084 -21.766 1.00 0.00 N ATOM 625 NH2 ARG A 69 7.188 38.942 -20.601 1.00 0.00 N1+ ATOM 0 H ARG A 69 11.823 36.467 -16.011 1.00 0.00 H new ATOM 0 HA ARG A 69 9.036 35.582 -15.481 1.00 0.00 H new ATOM 0 HB2 ARG A 69 9.197 37.077 -17.508 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.396 35.996 -18.191 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.734 34.105 -18.095 1.00 0.00 H new ATOM 0 HG3 ARG A 69 7.536 35.197 -17.430 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.883 35.445 -20.166 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.214 34.997 -19.873 1.00 0.00 H new ATOM 0 HE ARG A 69 7.499 37.481 -18.602 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.009 36.100 -21.784 1.00 0.00 H new ATOM 0 HH12 ARG A 69 7.637 37.600 -22.640 1.00 0.00 H new ATOM 0 HH21 ARG A 69 7.026 39.410 -19.709 1.00 0.00 H new ATOM 0 HH22 ARG A 69 7.085 39.459 -21.474 1.00 0.00 H new ATOM 639 N THR A 70 9.727 33.206 -15.672 1.00 0.00 N ATOM 640 CA THR A 70 10.157 31.813 -15.688 1.00 0.00 C ATOM 641 C THR A 70 10.144 31.269 -17.113 1.00 0.00 C ATOM 642 O THR A 70 9.138 31.370 -17.816 1.00 0.00 O ATOM 643 CB THR A 70 9.226 30.975 -14.809 1.00 0.00 C ATOM 644 OG1 THR A 70 9.104 31.588 -13.533 1.00 0.00 O ATOM 645 CG2 THR A 70 9.802 29.569 -14.650 1.00 0.00 C ATOM 0 H THR A 70 8.818 33.365 -15.237 1.00 0.00 H new ATOM 0 HA THR A 70 11.174 31.756 -15.299 1.00 0.00 H new ATOM 0 HB THR A 70 8.243 30.911 -15.276 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.507 31.053 -12.969 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.138 28.973 -14.024 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.894 29.101 -15.630 1.00 0.00 H new ATOM 0 HG23 THR A 70 10.785 29.629 -14.183 1.00 0.00 H new ATOM 653 N VAL A 71 11.267 30.691 -17.537 1.00 0.00 N ATOM 654 CA VAL A 71 11.382 30.130 -18.886 1.00 0.00 C ATOM 655 C VAL A 71 11.986 28.728 -18.831 1.00 0.00 C ATOM 656 O VAL A 71 12.992 28.502 -18.165 1.00 0.00 O ATOM 657 CB VAL A 71 12.257 31.042 -19.750 1.00 0.00 C ATOM 658 CG1 VAL A 71 11.469 32.291 -20.143 1.00 0.00 C ATOM 659 CG2 VAL A 71 13.497 31.462 -18.956 1.00 0.00 C ATOM 0 H VAL A 71 12.109 30.598 -16.969 1.00 0.00 H new ATOM 0 HA VAL A 71 10.387 30.062 -19.325 1.00 0.00 H new ATOM 0 HB VAL A 71 12.559 30.503 -20.648 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.095 32.938 -20.758 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.583 32.000 -20.708 1.00 0.00 H new ATOM 0 HG13 VAL A 71 11.166 32.828 -19.244 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.120 32.111 -19.571 1.00 0.00 H new ATOM 0 HG22 VAL A 71 13.190 31.998 -18.058 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.065 30.576 -18.673 1.00 0.00 H new ATOM 669 N SER A 72 11.366 27.789 -19.536 1.00 0.00 N ATOM 670 CA SER A 72 11.862 26.418 -19.554 1.00 0.00 C ATOM 671 C SER A 72 13.094 26.304 -20.450 1.00 0.00 C ATOM 672 O SER A 72 13.152 26.914 -21.518 1.00 0.00 O ATOM 673 CB SER A 72 10.775 25.479 -20.061 1.00 0.00 C ATOM 674 OG SER A 72 11.264 24.145 -20.052 1.00 0.00 O ATOM 0 H SER A 72 10.529 27.948 -20.096 1.00 0.00 H new ATOM 0 HA SER A 72 12.139 26.139 -18.537 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.888 25.558 -19.432 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.476 25.762 -21.070 1.00 0.00 H new ATOM 0 HG SER A 72 10.566 23.538 -20.376 1.00 0.00 H new ATOM 680 N VAL A 73 14.073 25.514 -20.015 1.00 0.00 N ATOM 681 CA VAL A 73 15.292 25.323 -20.796 1.00 0.00 C ATOM 682 C VAL A 73 14.994 24.505 -22.056 1.00 0.00 C ATOM 683 O VAL A 73 14.197 23.566 -22.021 1.00 0.00 O ATOM 684 CB VAL A 73 16.359 24.617 -19.954 1.00 0.00 C ATOM 685 CG1 VAL A 73 17.551 24.235 -20.838 1.00 0.00 C ATOM 686 CG2 VAL A 73 16.846 25.550 -18.844 1.00 0.00 C ATOM 0 H VAL A 73 14.047 25.000 -19.134 1.00 0.00 H new ATOM 0 HA VAL A 73 15.669 26.302 -21.093 1.00 0.00 H new ATOM 0 HB VAL A 73 15.922 23.719 -19.516 1.00 0.00 H new ATOM 0 HG11 VAL A 73 18.306 23.733 -20.233 1.00 0.00 H new ATOM 0 HG12 VAL A 73 17.217 23.565 -21.630 1.00 0.00 H new ATOM 0 HG13 VAL A 73 17.979 25.135 -21.280 1.00 0.00 H new ATOM 0 HG21 VAL A 73 17.605 25.042 -18.249 1.00 0.00 H new ATOM 0 HG22 VAL A 73 17.274 26.450 -19.286 1.00 0.00 H new ATOM 0 HG23 VAL A 73 16.007 25.824 -18.205 1.00 0.00 H new ATOM 696 N SER A 74 15.638 24.867 -23.164 1.00 0.00 N ATOM 697 CA SER A 74 15.436 24.157 -24.425 1.00 0.00 C ATOM 698 C SER A 74 16.041 22.754 -24.368 1.00 0.00 C ATOM 699 O SER A 74 15.469 21.800 -24.896 1.00 0.00 O ATOM 700 CB SER A 74 16.075 24.941 -25.572 1.00 0.00 C ATOM 701 OG SER A 74 17.446 25.176 -25.273 1.00 0.00 O ATOM 0 H SER A 74 16.299 25.642 -23.214 1.00 0.00 H new ATOM 0 HA SER A 74 14.363 24.066 -24.594 1.00 0.00 H new ATOM 0 HB2 SER A 74 15.984 24.383 -26.504 1.00 0.00 H new ATOM 0 HB3 SER A 74 15.554 25.888 -25.715 1.00 0.00 H new ATOM 0 HG SER A 74 17.860 25.677 -26.007 1.00 0.00 H new ATOM 707 N ASP A 75 17.200 22.640 -23.722 1.00 0.00 N ATOM 708 CA ASP A 75 17.885 21.349 -23.599 1.00 0.00 C ATOM 709 C ASP A 75 18.584 21.243 -22.241 1.00 0.00 C ATOM 710 O ASP A 75 19.791 21.462 -22.143 1.00 0.00 O ATOM 711 CB ASP A 75 18.924 21.199 -24.718 1.00 0.00 C ATOM 712 CG ASP A 75 19.506 19.789 -24.697 1.00 0.00 C ATOM 713 OD1 ASP A 75 19.471 19.170 -23.647 1.00 0.00 O ATOM 714 OD2 ASP A 75 19.982 19.350 -25.732 1.00 0.00 O1- ATOM 0 H ASP A 75 17.684 23.420 -23.277 1.00 0.00 H new ATOM 0 HA ASP A 75 17.143 20.555 -23.681 1.00 0.00 H new ATOM 0 HB2 ASP A 75 18.462 21.397 -25.685 1.00 0.00 H new ATOM 0 HB3 ASP A 75 19.720 21.933 -24.589 1.00 0.00 H new ATOM 719 N PRO A 76 17.856 20.917 -21.199 1.00 0.00 N ATOM 720 CA PRO A 76 18.429 20.791 -19.829 1.00 0.00 C ATOM 721 C PRO A 76 19.144 19.457 -19.622 1.00 0.00 C ATOM 722 O PRO A 76 18.527 18.393 -19.694 1.00 0.00 O ATOM 723 CB PRO A 76 17.206 20.913 -18.913 1.00 0.00 C ATOM 724 CG PRO A 76 16.045 20.426 -19.731 1.00 0.00 C ATOM 725 CD PRO A 76 16.409 20.635 -21.214 1.00 0.00 C ATOM 0 HA PRO A 76 19.190 21.546 -19.631 1.00 0.00 H new ATOM 0 HB2 PRO A 76 17.330 20.314 -18.011 1.00 0.00 H new ATOM 0 HB3 PRO A 76 17.056 21.944 -18.593 1.00 0.00 H new ATOM 0 HG2 PRO A 76 15.847 19.373 -19.529 1.00 0.00 H new ATOM 0 HG3 PRO A 76 15.139 20.975 -19.477 1.00 0.00 H new ATOM 0 HD2 PRO A 76 16.183 19.749 -21.808 1.00 0.00 H new ATOM 0 HD3 PRO A 76 15.847 21.462 -21.649 1.00 0.00 H new ATOM 733 N LYS A 77 20.446 19.526 -19.357 1.00 0.00 N ATOM 734 CA LYS A 77 21.248 18.323 -19.127 1.00 0.00 C ATOM 735 C LYS A 77 21.617 18.217 -17.656 1.00 0.00 C ATOM 736 O LYS A 77 22.453 18.971 -17.158 1.00 0.00 O ATOM 737 CB LYS A 77 22.522 18.375 -19.973 1.00 0.00 C ATOM 738 CG LYS A 77 22.145 18.335 -21.457 1.00 0.00 C ATOM 739 CD LYS A 77 23.404 18.479 -22.325 1.00 0.00 C ATOM 740 CE LYS A 77 24.082 17.117 -22.501 1.00 0.00 C ATOM 741 NZ LYS A 77 23.134 16.178 -23.169 1.00 0.00 N1+ ATOM 0 H LYS A 77 20.969 20.399 -19.296 1.00 0.00 H new ATOM 0 HA LYS A 77 20.662 17.450 -19.413 1.00 0.00 H new ATOM 0 HB2 LYS A 77 23.082 19.284 -19.752 1.00 0.00 H new ATOM 0 HB3 LYS A 77 23.170 17.534 -19.728 1.00 0.00 H new ATOM 0 HG2 LYS A 77 21.641 17.397 -21.687 1.00 0.00 H new ATOM 0 HG3 LYS A 77 21.444 19.138 -21.684 1.00 0.00 H new ATOM 0 HD2 LYS A 77 23.138 18.890 -23.299 1.00 0.00 H new ATOM 0 HD3 LYS A 77 24.097 19.181 -21.861 1.00 0.00 H new ATOM 0 HE2 LYS A 77 24.988 17.223 -23.098 1.00 0.00 H new ATOM 0 HE3 LYS A 77 24.383 16.720 -21.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 23.671 15.457 -23.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 22.540 15.715 -22.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 22.530 16.707 -23.830 1.00 0.00 H new ATOM 755 N VAL A 78 20.995 17.272 -16.965 1.00 0.00 N ATOM 756 CA VAL A 78 21.267 17.061 -15.548 1.00 0.00 C ATOM 757 C VAL A 78 21.180 15.575 -15.215 1.00 0.00 C ATOM 758 O VAL A 78 20.534 14.807 -15.925 1.00 0.00 O ATOM 759 CB VAL A 78 20.270 17.866 -14.698 1.00 0.00 C ATOM 760 CG1 VAL A 78 20.726 19.325 -14.606 1.00 0.00 C ATOM 761 CG2 VAL A 78 18.882 17.825 -15.348 1.00 0.00 C ATOM 0 H VAL A 78 20.299 16.640 -17.361 1.00 0.00 H new ATOM 0 HA VAL A 78 22.275 17.407 -15.321 1.00 0.00 H new ATOM 0 HB VAL A 78 20.226 17.428 -13.701 1.00 0.00 H new ATOM 0 HG11 VAL A 78 20.016 19.891 -14.003 1.00 0.00 H new ATOM 0 HG12 VAL A 78 21.712 19.370 -14.143 1.00 0.00 H new ATOM 0 HG13 VAL A 78 20.775 19.755 -15.607 1.00 0.00 H new ATOM 0 HG21 VAL A 78 18.179 18.397 -14.742 1.00 0.00 H new ATOM 0 HG22 VAL A 78 18.935 18.258 -16.347 1.00 0.00 H new ATOM 0 HG23 VAL A 78 18.543 16.791 -15.418 1.00 0.00 H new ATOM 771 N ILE A 79 21.835 15.179 -14.125 1.00 0.00 N ATOM 772 CA ILE A 79 21.832 13.781 -13.696 1.00 0.00 C ATOM 773 C ILE A 79 20.813 13.581 -12.577 1.00 0.00 C ATOM 774 O ILE A 79 20.489 14.521 -11.851 1.00 0.00 O ATOM 775 CB ILE A 79 23.219 13.383 -13.193 1.00 0.00 C ATOM 776 CG1 ILE A 79 24.236 13.513 -14.329 1.00 0.00 C ATOM 777 CG2 ILE A 79 23.178 11.931 -12.714 1.00 0.00 C ATOM 778 CD1 ILE A 79 25.650 13.349 -13.767 1.00 0.00 C ATOM 0 H ILE A 79 22.373 15.804 -13.524 1.00 0.00 H new ATOM 0 HA ILE A 79 21.564 13.156 -14.548 1.00 0.00 H new ATOM 0 HB ILE A 79 23.511 14.037 -12.372 1.00 0.00 H new ATOM 0 HG12 ILE A 79 24.046 12.757 -15.091 1.00 0.00 H new ATOM 0 HG13 ILE A 79 24.135 14.485 -14.812 1.00 0.00 H new ATOM 0 HG21 ILE A 79 24.164 11.639 -12.353 1.00 0.00 H new ATOM 0 HG22 ILE A 79 22.453 11.835 -11.906 1.00 0.00 H new ATOM 0 HG23 ILE A 79 22.888 11.283 -13.541 1.00 0.00 H new ATOM 0 HD11 ILE A 79 26.376 13.441 -14.575 1.00 0.00 H new ATOM 0 HD12 ILE A 79 25.837 14.122 -13.021 1.00 0.00 H new ATOM 0 HD13 ILE A 79 25.746 12.367 -13.304 1.00 0.00 H new ATOM 790 N CYS A 80 20.307 12.357 -12.446 1.00 0.00 N ATOM 791 CA CYS A 80 19.320 12.054 -11.412 1.00 0.00 C ATOM 792 C CYS A 80 20.000 11.781 -10.071 1.00 0.00 C ATOM 793 O CYS A 80 21.219 11.646 -9.995 1.00 0.00 O ATOM 794 CB CYS A 80 18.492 10.838 -11.824 1.00 0.00 C ATOM 795 SG CYS A 80 19.467 9.334 -11.583 1.00 0.00 S ATOM 0 H CYS A 80 20.561 11.565 -13.037 1.00 0.00 H new ATOM 0 HA CYS A 80 18.667 12.920 -11.299 1.00 0.00 H new ATOM 0 HB2 CYS A 80 17.578 10.790 -11.232 1.00 0.00 H new ATOM 0 HB3 CYS A 80 18.192 10.926 -12.868 1.00 0.00 H new ATOM 800 N ARG A 81 19.202 11.696 -9.017 1.00 0.00 N ATOM 801 CA ARG A 81 19.735 11.437 -7.686 1.00 0.00 C ATOM 802 C ARG A 81 20.290 10.019 -7.572 1.00 0.00 C ATOM 803 O ARG A 81 21.283 9.787 -6.882 1.00 0.00 O ATOM 804 CB ARG A 81 18.639 11.647 -6.642 1.00 0.00 C ATOM 805 CG ARG A 81 18.278 13.132 -6.585 1.00 0.00 C ATOM 806 CD ARG A 81 17.101 13.335 -5.633 1.00 0.00 C ATOM 807 NE ARG A 81 17.479 12.955 -4.276 1.00 0.00 N ATOM 808 CZ ARG A 81 16.587 12.958 -3.291 1.00 0.00 C ATOM 809 NH1 ARG A 81 15.355 13.317 -3.528 1.00 0.00 N ATOM 810 NH2 ARG A 81 16.944 12.605 -2.087 1.00 0.00 N1+ ATOM 0 H ARG A 81 18.188 11.802 -9.056 1.00 0.00 H new ATOM 0 HA ARG A 81 20.553 12.135 -7.509 1.00 0.00 H new ATOM 0 HB2 ARG A 81 17.759 11.056 -6.897 1.00 0.00 H new ATOM 0 HB3 ARG A 81 18.980 11.306 -5.665 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.136 13.713 -6.248 1.00 0.00 H new ATOM 0 HG3 ARG A 81 18.020 13.493 -7.581 1.00 0.00 H new ATOM 0 HD2 ARG A 81 16.785 14.378 -5.652 1.00 0.00 H new ATOM 0 HD3 ARG A 81 16.251 12.738 -5.962 1.00 0.00 H new ATOM 0 HE ARG A 81 18.442 12.683 -4.080 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.077 13.595 -4.469 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.670 13.319 -2.772 1.00 0.00 H new ATOM 0 HH21 ARG A 81 17.908 12.327 -1.902 1.00 0.00 H new ATOM 0 HH22 ARG A 81 16.259 12.607 -1.331 1.00 0.00 H new ATOM 824 N THR A 82 19.634 9.068 -8.236 1.00 0.00 N ATOM 825 CA THR A 82 20.067 7.671 -8.180 1.00 0.00 C ATOM 826 C THR A 82 21.437 7.490 -8.836 1.00 0.00 C ATOM 827 O THR A 82 22.243 6.672 -8.391 1.00 0.00 O ATOM 828 CB THR A 82 19.046 6.778 -8.890 1.00 0.00 C ATOM 829 OG1 THR A 82 19.073 7.049 -10.282 1.00 0.00 O ATOM 830 CG2 THR A 82 17.644 7.068 -8.346 1.00 0.00 C ATOM 0 H THR A 82 18.810 9.235 -8.813 1.00 0.00 H new ATOM 0 HA THR A 82 20.143 7.386 -7.131 1.00 0.00 H new ATOM 0 HB THR A 82 19.295 5.732 -8.714 1.00 0.00 H new ATOM 0 HG1 THR A 82 19.050 8.018 -10.427 1.00 0.00 H new ATOM 0 HG21 THR A 82 16.918 6.432 -8.852 1.00 0.00 H new ATOM 0 HG22 THR A 82 17.620 6.865 -7.275 1.00 0.00 H new ATOM 0 HG23 THR A 82 17.394 8.114 -8.523 1.00 0.00 H new ATOM 838 N CYS A 83 21.692 8.254 -9.893 1.00 0.00 N ATOM 839 CA CYS A 83 22.964 8.171 -10.605 1.00 0.00 C ATOM 840 C CYS A 83 24.075 8.828 -9.783 1.00 0.00 C ATOM 841 O CYS A 83 25.246 8.783 -10.160 1.00 0.00 O ATOM 842 CB CYS A 83 22.837 8.856 -11.975 1.00 0.00 C ATOM 843 SG CYS A 83 22.242 7.669 -13.204 1.00 0.00 S ATOM 0 H CYS A 83 21.037 8.936 -10.275 1.00 0.00 H new ATOM 0 HA CYS A 83 23.220 7.122 -10.755 1.00 0.00 H new ATOM 0 HB2 CYS A 83 22.149 9.699 -11.908 1.00 0.00 H new ATOM 0 HB3 CYS A 83 23.803 9.257 -12.282 1.00 0.00 H new ATOM 848 N GLN A 84 23.698 9.434 -8.657 1.00 0.00 N ATOM 849 CA GLN A 84 24.664 10.103 -7.777 1.00 0.00 C ATOM 850 C GLN A 84 24.709 9.415 -6.408 1.00 0.00 C ATOM 851 O GLN A 84 24.152 9.924 -5.436 1.00 0.00 O ATOM 852 CB GLN A 84 24.257 11.569 -7.601 1.00 0.00 C ATOM 853 CG GLN A 84 24.176 12.232 -8.978 1.00 0.00 C ATOM 854 CD GLN A 84 23.526 13.608 -8.867 1.00 0.00 C ATOM 855 OE1 GLN A 84 22.533 13.775 -8.157 1.00 0.00 O ATOM 856 NE2 GLN A 84 24.031 14.604 -9.539 1.00 0.00 N ATOM 0 H GLN A 84 22.733 9.477 -8.331 1.00 0.00 H new ATOM 0 HA GLN A 84 25.654 10.045 -8.229 1.00 0.00 H new ATOM 0 HB2 GLN A 84 23.294 11.634 -7.094 1.00 0.00 H new ATOM 0 HB3 GLN A 84 24.982 12.089 -6.975 1.00 0.00 H new ATOM 0 HG2 GLN A 84 25.176 12.328 -9.402 1.00 0.00 H new ATOM 0 HG3 GLN A 84 23.600 11.604 -9.658 1.00 0.00 H new ATOM 0 HE21 GLN A 84 24.853 14.459 -10.125 1.00 0.00 H new ATOM 0 HE22 GLN A 84 23.604 15.528 -9.479 1.00 0.00 H new ATOM 865 N PRO A 85 25.346 8.269 -6.314 1.00 0.00 N ATOM 866 CA PRO A 85 25.440 7.508 -5.032 1.00 0.00 C ATOM 867 C PRO A 85 26.405 8.162 -4.046 1.00 0.00 C ATOM 868 O PRO A 85 26.989 7.491 -3.196 1.00 0.00 O ATOM 869 CB PRO A 85 25.934 6.120 -5.462 1.00 0.00 C ATOM 870 CG PRO A 85 26.685 6.349 -6.737 1.00 0.00 C ATOM 871 CD PRO A 85 26.050 7.574 -7.411 1.00 0.00 C ATOM 0 HA PRO A 85 24.487 7.472 -4.505 1.00 0.00 H new ATOM 0 HB2 PRO A 85 26.576 5.677 -4.701 1.00 0.00 H new ATOM 0 HB3 PRO A 85 25.100 5.435 -5.614 1.00 0.00 H new ATOM 0 HG2 PRO A 85 27.742 6.522 -6.537 1.00 0.00 H new ATOM 0 HG3 PRO A 85 26.622 5.475 -7.385 1.00 0.00 H new ATOM 0 HD2 PRO A 85 26.806 8.214 -7.867 1.00 0.00 H new ATOM 0 HD3 PRO A 85 25.361 7.280 -8.203 1.00 0.00 H new ATOM 879 N LYS A 86 26.570 9.474 -4.168 1.00 0.00 N ATOM 880 CA LYS A 86 27.469 10.205 -3.284 1.00 0.00 C ATOM 881 C LYS A 86 27.015 10.066 -1.833 1.00 0.00 C ATOM 882 O LYS A 86 27.836 9.932 -0.926 1.00 0.00 O ATOM 883 CB LYS A 86 27.505 11.682 -3.678 1.00 0.00 C ATOM 884 CG LYS A 86 28.571 12.404 -2.855 1.00 0.00 C ATOM 885 CD LYS A 86 28.655 13.865 -3.298 1.00 0.00 C ATOM 886 CE LYS A 86 29.737 14.585 -2.491 1.00 0.00 C ATOM 887 NZ LYS A 86 29.812 16.010 -2.920 1.00 0.00 N1+ ATOM 0 H LYS A 86 26.097 10.049 -4.865 1.00 0.00 H new ATOM 0 HA LYS A 86 28.470 9.785 -3.381 1.00 0.00 H new ATOM 0 HB2 LYS A 86 27.723 11.780 -4.741 1.00 0.00 H new ATOM 0 HB3 LYS A 86 26.530 12.138 -3.509 1.00 0.00 H new ATOM 0 HG2 LYS A 86 28.326 12.348 -1.794 1.00 0.00 H new ATOM 0 HG3 LYS A 86 29.538 11.917 -2.985 1.00 0.00 H new ATOM 0 HD2 LYS A 86 28.884 13.920 -4.362 1.00 0.00 H new ATOM 0 HD3 LYS A 86 27.692 14.355 -3.153 1.00 0.00 H new ATOM 0 HE2 LYS A 86 29.511 14.526 -1.426 1.00 0.00 H new ATOM 0 HE3 LYS A 86 30.701 14.098 -2.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 30.548 16.499 -2.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 30.047 16.056 -3.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 28.894 16.471 -2.756 1.00 0.00 H new ATOM 901 N GLN A 87 25.703 10.093 -1.621 1.00 0.00 N ATOM 902 CA GLN A 87 25.149 9.963 -0.275 1.00 0.00 C ATOM 903 C GLN A 87 25.114 8.495 0.150 1.00 0.00 C ATOM 904 O GLN A 87 24.662 7.633 -0.604 1.00 0.00 O ATOM 905 CB GLN A 87 23.734 10.541 -0.240 1.00 0.00 C ATOM 906 CG GLN A 87 23.793 12.047 -0.500 1.00 0.00 C ATOM 907 CD GLN A 87 22.383 12.620 -0.584 1.00 0.00 C ATOM 908 OE1 GLN A 87 21.448 11.914 -0.961 1.00 0.00 O ATOM 909 NE2 GLN A 87 22.174 13.867 -0.264 1.00 0.00 N ATOM 0 H GLN A 87 25.006 10.203 -2.358 1.00 0.00 H new ATOM 0 HA GLN A 87 25.785 10.514 0.418 1.00 0.00 H new ATOM 0 HB2 GLN A 87 23.112 10.055 -0.992 1.00 0.00 H new ATOM 0 HB3 GLN A 87 23.274 10.346 0.729 1.00 0.00 H new ATOM 0 HG2 GLN A 87 24.347 12.540 0.298 1.00 0.00 H new ATOM 0 HG3 GLN A 87 24.329 12.243 -1.428 1.00 0.00 H new ATOM 0 HE21 GLN A 87 22.950 14.450 0.048 1.00 0.00 H new ATOM 0 HE22 GLN A 87 21.234 14.259 -0.326 1.00 0.00 H new ATOM 918 N HIS A 88 25.591 8.220 1.361 1.00 0.00 N ATOM 919 CA HIS A 88 25.610 6.852 1.879 1.00 0.00 C ATOM 920 C HIS A 88 24.279 6.516 2.544 1.00 0.00 C ATOM 921 O HIS A 88 24.161 5.514 3.250 1.00 0.00 O ATOM 922 CB HIS A 88 26.742 6.697 2.896 1.00 0.00 C ATOM 923 CG HIS A 88 28.061 6.953 2.222 1.00 0.00 C ATOM 924 ND1 HIS A 88 28.650 6.031 1.371 1.00 0.00 N ATOM 925 CD2 HIS A 88 28.918 8.025 2.263 1.00 0.00 C ATOM 926 CE1 HIS A 88 29.809 6.559 0.938 1.00 0.00 C ATOM 927 NE2 HIS A 88 30.022 7.774 1.453 1.00 0.00 N ATOM 0 H HIS A 88 25.968 8.920 2.000 1.00 0.00 H new ATOM 0 HA HIS A 88 25.772 6.168 1.046 1.00 0.00 H new ATOM 0 HB2 HIS A 88 26.602 7.395 3.721 1.00 0.00 H new ATOM 0 HB3 HIS A 88 26.728 5.694 3.322 1.00 0.00 H new ATOM 0 HD2 HIS A 88 28.760 8.926 2.837 1.00 0.00 H new ATOM 0 HE1 HIS A 88 30.485 6.062 0.258 1.00 0.00 H new ATOM 0 HE2 HIS A 88 30.821 8.386 1.288 1.00 0.00 H new ATOM 935 N ASP A 89 23.281 7.363 2.314 1.00 0.00 N ATOM 936 CA ASP A 89 21.958 7.155 2.894 1.00 0.00 C ATOM 937 C ASP A 89 21.340 5.867 2.366 1.00 0.00 C ATOM 938 O ASP A 89 20.504 5.250 3.027 1.00 0.00 O ATOM 939 CB ASP A 89 21.047 8.338 2.562 1.00 0.00 C ATOM 940 CG ASP A 89 21.002 8.560 1.053 1.00 0.00 C ATOM 941 OD1 ASP A 89 21.500 7.712 0.332 1.00 0.00 O1- ATOM 942 OD2 ASP A 89 20.474 9.579 0.640 1.00 0.00 O ATOM 0 H ASP A 89 23.362 8.197 1.732 1.00 0.00 H new ATOM 0 HA ASP A 89 22.065 7.076 3.976 1.00 0.00 H new ATOM 0 HB2 ASP A 89 20.042 8.150 2.940 1.00 0.00 H new ATOM 0 HB3 ASP A 89 21.411 9.237 3.059 1.00 0.00 H new ATOM 947 N SER A 90 21.760 5.462 1.169 1.00 0.00 N ATOM 948 CA SER A 90 21.249 4.241 0.549 1.00 0.00 C ATOM 949 C SER A 90 22.372 3.497 -0.166 1.00 0.00 C ATOM 950 O SER A 90 23.382 4.091 -0.543 1.00 0.00 O ATOM 951 CB SER A 90 20.149 4.588 -0.452 1.00 0.00 C ATOM 952 OG SER A 90 20.629 5.579 -1.350 1.00 0.00 O ATOM 0 H SER A 90 22.452 5.961 0.610 1.00 0.00 H new ATOM 0 HA SER A 90 20.841 3.600 1.330 1.00 0.00 H new ATOM 0 HB2 SER A 90 19.848 3.697 -1.003 1.00 0.00 H new ATOM 0 HB3 SER A 90 19.266 4.953 0.072 1.00 0.00 H new ATOM 0 HG SER A 90 20.814 6.405 -0.857 1.00 0.00 H new ATOM 958 N ILE A 91 22.187 2.189 -0.351 1.00 0.00 N ATOM 959 CA ILE A 91 23.190 1.357 -1.028 1.00 0.00 C ATOM 960 C ILE A 91 22.534 0.507 -2.107 1.00 0.00 C ATOM 961 O ILE A 91 21.465 -0.066 -1.895 1.00 0.00 O ATOM 962 CB ILE A 91 23.901 0.459 -0.013 1.00 0.00 C ATOM 963 CG1 ILE A 91 24.691 1.337 0.957 1.00 0.00 C ATOM 964 CG2 ILE A 91 24.863 -0.489 -0.736 1.00 0.00 C ATOM 965 CD1 ILE A 91 25.214 0.481 2.108 1.00 0.00 C ATOM 0 H ILE A 91 21.357 1.682 -0.044 1.00 0.00 H new ATOM 0 HA ILE A 91 23.924 2.011 -1.498 1.00 0.00 H new ATOM 0 HB ILE A 91 23.162 -0.130 0.531 1.00 0.00 H new ATOM 0 HG12 ILE A 91 25.522 1.814 0.438 1.00 0.00 H new ATOM 0 HG13 ILE A 91 24.056 2.135 1.342 1.00 0.00 H new ATOM 0 HG21 ILE A 91 25.365 -1.124 -0.006 1.00 0.00 H new ATOM 0 HG22 ILE A 91 24.304 -1.111 -1.435 1.00 0.00 H new ATOM 0 HG23 ILE A 91 25.606 0.093 -1.282 1.00 0.00 H new ATOM 0 HD11 ILE A 91 25.778 1.107 2.800 1.00 0.00 H new ATOM 0 HD12 ILE A 91 24.375 0.025 2.633 1.00 0.00 H new ATOM 0 HD13 ILE A 91 25.864 -0.300 1.714 1.00 0.00 H new ATOM 977 N TRP A 92 23.180 0.434 -3.265 1.00 0.00 N ATOM 978 CA TRP A 92 22.646 -0.343 -4.374 1.00 0.00 C ATOM 979 C TRP A 92 22.858 -1.838 -4.134 1.00 0.00 C ATOM 980 O TRP A 92 23.985 -2.294 -3.949 1.00 0.00 O ATOM 981 CB TRP A 92 23.324 0.084 -5.690 1.00 0.00 C ATOM 982 CG TRP A 92 23.075 -0.949 -6.748 1.00 0.00 C ATOM 983 CD1 TRP A 92 21.855 -1.381 -7.137 1.00 0.00 C ATOM 984 CD2 TRP A 92 24.044 -1.693 -7.542 1.00 0.00 C ATOM 985 NE1 TRP A 92 22.011 -2.350 -8.110 1.00 0.00 N ATOM 986 CE2 TRP A 92 23.342 -2.573 -8.400 1.00 0.00 C ATOM 987 CE3 TRP A 92 25.450 -1.690 -7.601 1.00 0.00 C ATOM 988 CZ2 TRP A 92 24.011 -3.424 -9.281 1.00 0.00 C ATOM 989 CZ3 TRP A 92 26.125 -2.543 -8.489 1.00 0.00 C ATOM 990 CH2 TRP A 92 25.406 -3.408 -9.328 1.00 0.00 C ATOM 0 H TRP A 92 24.067 0.900 -3.458 1.00 0.00 H new ATOM 0 HA TRP A 92 21.575 -0.154 -4.447 1.00 0.00 H new ATOM 0 HB2 TRP A 92 22.936 1.050 -6.013 1.00 0.00 H new ATOM 0 HB3 TRP A 92 24.396 0.207 -5.534 1.00 0.00 H new ATOM 0 HD1 TRP A 92 20.911 -1.026 -6.750 1.00 0.00 H new ATOM 0 HE1 TRP A 92 21.237 -2.840 -8.559 1.00 0.00 H new ATOM 0 HE3 TRP A 92 26.013 -1.028 -6.960 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 23.453 -4.090 -9.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 27.204 -2.533 -8.526 1.00 0.00 H new ATOM 0 HH2 TRP A 92 25.931 -4.061 -10.009 1.00 0.00 H new ATOM 1001 N CYS A 93 21.760 -2.592 -4.164 1.00 0.00 N ATOM 1002 CA CYS A 93 21.820 -4.041 -3.973 1.00 0.00 C ATOM 1003 C CYS A 93 21.756 -4.744 -5.320 1.00 0.00 C ATOM 1004 O CYS A 93 20.892 -4.446 -6.144 1.00 0.00 O ATOM 1005 CB CYS A 93 20.650 -4.520 -3.112 1.00 0.00 C ATOM 1006 SG CYS A 93 20.539 -6.330 -3.190 1.00 0.00 S ATOM 0 H CYS A 93 20.821 -2.225 -4.318 1.00 0.00 H new ATOM 0 HA CYS A 93 22.758 -4.279 -3.471 1.00 0.00 H new ATOM 0 HB2 CYS A 93 20.789 -4.198 -2.080 1.00 0.00 H new ATOM 0 HB3 CYS A 93 19.720 -4.073 -3.463 1.00 0.00 H new ATOM 1011 N THR A 94 22.664 -5.691 -5.535 1.00 0.00 N ATOM 1012 CA THR A 94 22.687 -6.439 -6.788 1.00 0.00 C ATOM 1013 C THR A 94 21.857 -7.714 -6.655 1.00 0.00 C ATOM 1014 O THR A 94 21.577 -8.387 -7.648 1.00 0.00 O ATOM 1015 CB THR A 94 24.128 -6.802 -7.156 1.00 0.00 C ATOM 1016 OG1 THR A 94 24.504 -7.991 -6.471 1.00 0.00 O ATOM 1017 CG2 THR A 94 25.063 -5.661 -6.751 1.00 0.00 C ATOM 0 H THR A 94 23.387 -5.957 -4.866 1.00 0.00 H new ATOM 0 HA THR A 94 22.261 -5.815 -7.574 1.00 0.00 H new ATOM 0 HB THR A 94 24.200 -6.963 -8.232 1.00 0.00 H new ATOM 0 HG1 THR A 94 25.426 -8.227 -6.706 1.00 0.00 H new ATOM 0 HG21 THR A 94 26.089 -5.920 -7.013 1.00 0.00 H new ATOM 0 HG22 THR A 94 24.774 -4.750 -7.275 1.00 0.00 H new ATOM 0 HG23 THR A 94 24.994 -5.498 -5.675 1.00 0.00 H new ATOM 1025 N ALA A 95 21.463 -8.046 -5.422 1.00 0.00 N ATOM 1026 CA ALA A 95 20.664 -9.247 -5.185 1.00 0.00 C ATOM 1027 C ALA A 95 19.179 -8.955 -5.401 1.00 0.00 C ATOM 1028 O ALA A 95 18.404 -9.856 -5.724 1.00 0.00 O ATOM 1029 CB ALA A 95 20.889 -9.759 -3.759 1.00 0.00 C ATOM 0 H ALA A 95 21.682 -7.507 -4.584 1.00 0.00 H new ATOM 0 HA ALA A 95 20.978 -10.013 -5.894 1.00 0.00 H new ATOM 0 HB1 ALA A 95 20.289 -10.654 -3.595 1.00 0.00 H new ATOM 0 HB2 ALA A 95 21.943 -9.999 -3.621 1.00 0.00 H new ATOM 0 HB3 ALA A 95 20.596 -8.989 -3.045 1.00 0.00 H new ATOM 1035 N CYS A 96 18.785 -7.688 -5.230 1.00 0.00 N ATOM 1036 CA CYS A 96 17.389 -7.280 -5.421 1.00 0.00 C ATOM 1037 C CYS A 96 17.224 -6.524 -6.739 1.00 0.00 C ATOM 1038 O CYS A 96 16.212 -6.664 -7.426 1.00 0.00 O ATOM 1039 CB CYS A 96 16.944 -6.360 -4.275 1.00 0.00 C ATOM 1040 SG CYS A 96 16.923 -7.276 -2.719 1.00 0.00 S ATOM 0 H CYS A 96 19.411 -6.929 -4.960 1.00 0.00 H new ATOM 0 HA CYS A 96 16.777 -8.182 -5.437 1.00 0.00 H new ATOM 0 HB2 CYS A 96 17.621 -5.510 -4.197 1.00 0.00 H new ATOM 0 HB3 CYS A 96 15.952 -5.959 -4.484 1.00 0.00 H new ATOM 1045 N GLN A 97 18.222 -5.706 -7.070 1.00 0.00 N ATOM 1046 CA GLN A 97 18.183 -4.904 -8.292 1.00 0.00 C ATOM 1047 C GLN A 97 17.356 -3.641 -8.051 1.00 0.00 C ATOM 1048 O GLN A 97 16.653 -3.167 -8.940 1.00 0.00 O ATOM 1049 CB GLN A 97 17.585 -5.721 -9.454 1.00 0.00 C ATOM 1050 CG GLN A 97 18.232 -5.312 -10.786 1.00 0.00 C ATOM 1051 CD GLN A 97 18.073 -3.814 -11.011 1.00 0.00 C ATOM 1052 OE1 GLN A 97 17.010 -3.356 -11.431 1.00 0.00 O ATOM 1053 NE2 GLN A 97 19.070 -3.016 -10.748 1.00 0.00 N ATOM 0 H GLN A 97 19.066 -5.581 -6.511 1.00 0.00 H new ATOM 0 HA GLN A 97 19.200 -4.619 -8.562 1.00 0.00 H new ATOM 0 HB2 GLN A 97 17.743 -6.785 -9.278 1.00 0.00 H new ATOM 0 HB3 GLN A 97 16.508 -5.562 -9.502 1.00 0.00 H new ATOM 0 HG2 GLN A 97 19.290 -5.576 -10.781 1.00 0.00 H new ATOM 0 HG3 GLN A 97 17.770 -5.861 -11.607 1.00 0.00 H new ATOM 0 HE21 GLN A 97 19.950 -3.397 -10.400 1.00 0.00 H new ATOM 0 HE22 GLN A 97 18.970 -2.011 -10.890 1.00 0.00 H new ATOM 1062 N GLN A 98 17.444 -3.100 -6.835 1.00 0.00 N ATOM 1063 CA GLN A 98 16.704 -1.886 -6.488 1.00 0.00 C ATOM 1064 C GLN A 98 17.452 -1.084 -5.424 1.00 0.00 C ATOM 1065 O GLN A 98 18.377 -1.585 -4.783 1.00 0.00 O ATOM 1066 CB GLN A 98 15.301 -2.236 -5.983 1.00 0.00 C ATOM 1067 CG GLN A 98 14.452 -2.771 -7.141 1.00 0.00 C ATOM 1068 CD GLN A 98 13.019 -3.008 -6.677 1.00 0.00 C ATOM 1069 OE1 GLN A 98 12.674 -2.694 -5.538 1.00 0.00 O ATOM 1070 NE2 GLN A 98 12.158 -3.545 -7.500 1.00 0.00 N ATOM 0 H GLN A 98 18.015 -3.479 -6.080 1.00 0.00 H new ATOM 0 HA GLN A 98 16.614 -1.278 -7.388 1.00 0.00 H new ATOM 0 HB2 GLN A 98 15.365 -2.983 -5.191 1.00 0.00 H new ATOM 0 HB3 GLN A 98 14.829 -1.353 -5.551 1.00 0.00 H new ATOM 0 HG2 GLN A 98 14.462 -2.060 -7.967 1.00 0.00 H new ATOM 0 HG3 GLN A 98 14.879 -3.701 -7.516 1.00 0.00 H new ATOM 0 HE21 GLN A 98 12.447 -3.804 -8.443 1.00 0.00 H new ATOM 0 HE22 GLN A 98 11.197 -3.705 -7.199 1.00 0.00 H new ATOM 1079 N THR A 99 17.038 0.166 -5.239 1.00 0.00 N ATOM 1080 CA THR A 99 17.664 1.033 -4.247 1.00 0.00 C ATOM 1081 C THR A 99 17.219 0.636 -2.844 1.00 0.00 C ATOM 1082 O THR A 99 16.054 0.300 -2.625 1.00 0.00 O ATOM 1083 CB THR A 99 17.289 2.493 -4.508 1.00 0.00 C ATOM 1084 OG1 THR A 99 17.424 2.776 -5.894 1.00 0.00 O ATOM 1085 CG2 THR A 99 18.215 3.404 -3.703 1.00 0.00 C ATOM 0 H THR A 99 16.276 0.599 -5.760 1.00 0.00 H new ATOM 0 HA THR A 99 18.745 0.922 -4.325 1.00 0.00 H new ATOM 0 HB THR A 99 16.257 2.667 -4.205 1.00 0.00 H new ATOM 0 HG1 THR A 99 17.182 3.711 -6.062 1.00 0.00 H new ATOM 0 HG21 THR A 99 17.951 4.445 -3.887 1.00 0.00 H new ATOM 0 HG22 THR A 99 18.108 3.184 -2.641 1.00 0.00 H new ATOM 0 HG23 THR A 99 19.248 3.233 -4.007 1.00 0.00 H new ATOM 1093 N LYS A 100 18.150 0.668 -1.891 1.00 0.00 N ATOM 1094 CA LYS A 100 17.836 0.300 -0.511 1.00 0.00 C ATOM 1095 C LYS A 100 18.471 1.296 0.456 1.00 0.00 C ATOM 1096 O LYS A 100 19.601 1.740 0.250 1.00 0.00 O ATOM 1097 CB LYS A 100 18.366 -1.120 -0.232 1.00 0.00 C ATOM 1098 CG LYS A 100 17.401 -1.885 0.695 1.00 0.00 C ATOM 1099 CD LYS A 100 16.277 -2.514 -0.142 1.00 0.00 C ATOM 1100 CE LYS A 100 15.326 -3.303 0.760 1.00 0.00 C ATOM 1101 NZ LYS A 100 14.246 -3.902 -0.073 1.00 0.00 N1+ ATOM 0 H LYS A 100 19.120 0.943 -2.047 1.00 0.00 H new ATOM 0 HA LYS A 100 16.756 0.319 -0.368 1.00 0.00 H new ATOM 0 HB2 LYS A 100 18.483 -1.661 -1.171 1.00 0.00 H new ATOM 0 HB3 LYS A 100 19.352 -1.062 0.228 1.00 0.00 H new ATOM 0 HG2 LYS A 100 17.941 -2.660 1.239 1.00 0.00 H new ATOM 0 HG3 LYS A 100 16.980 -1.208 1.438 1.00 0.00 H new ATOM 0 HD2 LYS A 100 15.727 -1.735 -0.670 1.00 0.00 H new ATOM 0 HD3 LYS A 100 16.702 -3.173 -0.899 1.00 0.00 H new ATOM 0 HE2 LYS A 100 15.871 -4.086 1.288 1.00 0.00 H new ATOM 0 HE3 LYS A 100 14.896 -2.648 1.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 13.596 -4.440 0.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 13.721 -3.146 -0.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 14.666 -4.539 -0.780 1.00 0.00 H new ATOM 1115 N GLY A 101 17.742 1.634 1.510 1.00 0.00 N ATOM 1116 CA GLY A 101 18.248 2.570 2.503 1.00 0.00 C ATOM 1117 C GLY A 101 19.461 1.997 3.225 1.00 0.00 C ATOM 1118 O GLY A 101 19.762 0.810 3.112 1.00 0.00 O ATOM 0 H GLY A 101 16.805 1.277 1.699 1.00 0.00 H new ATOM 0 HA2 GLY A 101 18.518 3.508 2.019 1.00 0.00 H new ATOM 0 HA3 GLY A 101 17.464 2.798 3.226 1.00 0.00 H new ATOM 1122 N ILE A 102 20.152 2.858 3.960 1.00 0.00 N ATOM 1123 CA ILE A 102 21.341 2.451 4.703 1.00 0.00 C ATOM 1124 C ILE A 102 20.968 1.733 5.999 1.00 0.00 C ATOM 1125 O ILE A 102 21.731 0.911 6.503 1.00 0.00 O ATOM 1126 CB ILE A 102 22.197 3.682 5.025 1.00 0.00 C ATOM 1127 CG1 ILE A 102 23.565 3.240 5.568 1.00 0.00 C ATOM 1128 CG2 ILE A 102 21.492 4.539 6.081 1.00 0.00 C ATOM 1129 CD1 ILE A 102 24.392 2.564 4.463 1.00 0.00 C ATOM 0 H ILE A 102 19.911 3.844 4.059 1.00 0.00 H new ATOM 0 HA ILE A 102 21.908 1.758 4.081 1.00 0.00 H new ATOM 0 HB ILE A 102 22.337 4.263 4.114 1.00 0.00 H new ATOM 0 HG12 ILE A 102 24.104 4.104 5.957 1.00 0.00 H new ATOM 0 HG13 ILE A 102 23.426 2.550 6.400 1.00 0.00 H new ATOM 0 HG21 ILE A 102 22.103 5.413 6.308 1.00 0.00 H new ATOM 0 HG22 ILE A 102 20.523 4.862 5.700 1.00 0.00 H new ATOM 0 HG23 ILE A 102 21.347 3.952 6.988 1.00 0.00 H new ATOM 0 HD11 ILE A 102 25.357 2.258 4.867 1.00 0.00 H new ATOM 0 HD12 ILE A 102 23.859 1.688 4.094 1.00 0.00 H new ATOM 0 HD13 ILE A 102 24.547 3.266 3.644 1.00 0.00 H new ATOM 1141 N ASN A 103 19.797 2.055 6.537 1.00 0.00 N ATOM 1142 CA ASN A 103 19.345 1.441 7.782 1.00 0.00 C ATOM 1143 C ASN A 103 19.203 -0.072 7.631 1.00 0.00 C ATOM 1144 O ASN A 103 19.612 -0.832 8.509 1.00 0.00 O ATOM 1145 CB ASN A 103 17.998 2.040 8.190 1.00 0.00 C ATOM 1146 CG ASN A 103 16.995 1.872 7.055 1.00 0.00 C ATOM 1147 OD1 ASN A 103 17.376 1.544 5.932 1.00 0.00 O ATOM 1148 ND2 ASN A 103 15.727 2.076 7.283 1.00 0.00 N ATOM 0 H ASN A 103 19.148 2.732 6.136 1.00 0.00 H new ATOM 0 HA ASN A 103 20.091 1.642 8.551 1.00 0.00 H new ATOM 0 HB2 ASN A 103 17.629 1.549 9.090 1.00 0.00 H new ATOM 0 HB3 ASN A 103 18.117 3.097 8.430 1.00 0.00 H new ATOM 0 HD21 ASN A 103 15.049 1.964 6.529 1.00 0.00 H new ATOM 0 HD22 ASN A 103 15.414 2.348 8.215 1.00 0.00 H new ATOM 1155 N GLU A 104 18.623 -0.504 6.518 1.00 0.00 N ATOM 1156 CA GLU A 104 18.434 -1.931 6.269 1.00 0.00 C ATOM 1157 C GLU A 104 19.718 -2.551 5.734 1.00 0.00 C ATOM 1158 O GLU A 104 19.697 -3.621 5.125 1.00 0.00 O ATOM 1159 CB GLU A 104 17.301 -2.139 5.267 1.00 0.00 C ATOM 1160 CG GLU A 104 15.977 -1.724 5.906 1.00 0.00 C ATOM 1161 CD GLU A 104 14.845 -1.871 4.898 1.00 0.00 C ATOM 1162 OE1 GLU A 104 15.120 -2.309 3.794 1.00 0.00 O ATOM 1163 OE2 GLU A 104 13.722 -1.545 5.243 1.00 0.00 O1- ATOM 0 H GLU A 104 18.277 0.106 5.778 1.00 0.00 H new ATOM 0 HA GLU A 104 18.175 -2.418 7.209 1.00 0.00 H new ATOM 0 HB2 GLU A 104 17.484 -1.551 4.367 1.00 0.00 H new ATOM 0 HB3 GLU A 104 17.258 -3.184 4.961 1.00 0.00 H new ATOM 0 HG2 GLU A 104 15.777 -2.341 6.782 1.00 0.00 H new ATOM 0 HG3 GLU A 104 16.037 -0.691 6.250 1.00 0.00 H new ATOM 1170 N PHE A 105 20.837 -1.871 5.971 1.00 0.00 N ATOM 1171 CA PHE A 105 22.142 -2.349 5.516 1.00 0.00 C ATOM 1172 C PHE A 105 23.190 -2.224 6.622 1.00 0.00 C ATOM 1173 O PHE A 105 23.136 -1.313 7.449 1.00 0.00 O ATOM 1174 CB PHE A 105 22.586 -1.545 4.275 1.00 0.00 C ATOM 1175 CG PHE A 105 22.412 -2.378 3.022 1.00 0.00 C ATOM 1176 CD1 PHE A 105 21.213 -2.357 2.299 1.00 0.00 C ATOM 1177 CD2 PHE A 105 23.473 -3.175 2.596 1.00 0.00 C ATOM 1178 CE1 PHE A 105 21.085 -3.145 1.146 1.00 0.00 C ATOM 1179 CE2 PHE A 105 23.349 -3.959 1.446 1.00 0.00 C ATOM 1180 CZ PHE A 105 22.155 -3.945 0.720 1.00 0.00 C ATOM 0 H PHE A 105 20.867 -0.986 6.476 1.00 0.00 H new ATOM 0 HA PHE A 105 22.050 -3.403 5.254 1.00 0.00 H new ATOM 0 HB2 PHE A 105 21.999 -0.630 4.196 1.00 0.00 H new ATOM 0 HB3 PHE A 105 23.629 -1.247 4.380 1.00 0.00 H new ATOM 0 HD1 PHE A 105 20.392 -1.738 2.627 1.00 0.00 H new ATOM 0 HD2 PHE A 105 24.396 -3.187 3.157 1.00 0.00 H new ATOM 0 HE1 PHE A 105 20.162 -3.136 0.586 1.00 0.00 H new ATOM 0 HE2 PHE A 105 24.174 -4.574 1.119 1.00 0.00 H new ATOM 0 HZ PHE A 105 22.056 -4.550 -0.169 1.00 0.00 H new ATOM 1190 N SER A 106 24.151 -3.148 6.610 1.00 0.00 N ATOM 1191 CA SER A 106 25.230 -3.147 7.596 1.00 0.00 C ATOM 1192 C SER A 106 26.440 -2.392 7.056 1.00 0.00 C ATOM 1193 O SER A 106 26.472 -1.995 5.891 1.00 0.00 O ATOM 1194 CB SER A 106 25.626 -4.585 7.937 1.00 0.00 C ATOM 1195 OG SER A 106 24.680 -5.126 8.849 1.00 0.00 O ATOM 0 H SER A 106 24.204 -3.906 5.929 1.00 0.00 H new ATOM 0 HA SER A 106 24.878 -2.648 8.499 1.00 0.00 H new ATOM 0 HB2 SER A 106 25.662 -5.190 7.031 1.00 0.00 H new ATOM 0 HB3 SER A 106 26.624 -4.606 8.374 1.00 0.00 H new ATOM 0 HG SER A 106 24.320 -5.963 8.489 1.00 0.00 H new ATOM 1201 N LYS A 107 27.434 -2.207 7.914 1.00 0.00 N ATOM 1202 CA LYS A 107 28.651 -1.510 7.529 1.00 0.00 C ATOM 1203 C LYS A 107 29.553 -2.409 6.685 1.00 0.00 C ATOM 1204 O LYS A 107 30.263 -1.935 5.802 1.00 0.00 O ATOM 1205 CB LYS A 107 29.402 -1.049 8.779 1.00 0.00 C ATOM 1206 CG LYS A 107 30.591 -0.184 8.369 1.00 0.00 C ATOM 1207 CD LYS A 107 31.247 0.423 9.614 1.00 0.00 C ATOM 1208 CE LYS A 107 31.936 -0.670 10.436 1.00 0.00 C ATOM 1209 NZ LYS A 107 32.887 -0.038 11.396 1.00 0.00 N1+ ATOM 0 H LYS A 107 27.420 -2.530 8.881 1.00 0.00 H new ATOM 0 HA LYS A 107 28.374 -0.643 6.930 1.00 0.00 H new ATOM 0 HB2 LYS A 107 28.735 -0.484 9.429 1.00 0.00 H new ATOM 0 HB3 LYS A 107 29.746 -1.912 9.349 1.00 0.00 H new ATOM 0 HG2 LYS A 107 31.317 -0.784 7.821 1.00 0.00 H new ATOM 0 HG3 LYS A 107 30.261 0.609 7.698 1.00 0.00 H new ATOM 0 HD2 LYS A 107 31.975 1.179 9.318 1.00 0.00 H new ATOM 0 HD3 LYS A 107 30.495 0.925 10.222 1.00 0.00 H new ATOM 0 HE2 LYS A 107 31.194 -1.258 10.975 1.00 0.00 H new ATOM 0 HE3 LYS A 107 32.468 -1.356 9.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 33.357 -0.777 11.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 33.601 0.505 10.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 32.366 0.600 12.032 1.00 0.00 H new ATOM 1223 N ALA A 108 29.534 -3.704 6.973 1.00 0.00 N ATOM 1224 CA ALA A 108 30.370 -4.655 6.247 1.00 0.00 C ATOM 1225 C ALA A 108 29.987 -4.711 4.768 1.00 0.00 C ATOM 1226 O ALA A 108 30.851 -4.835 3.899 1.00 0.00 O ATOM 1227 CB ALA A 108 30.227 -6.049 6.860 1.00 0.00 C ATOM 0 H ALA A 108 28.952 -4.120 7.700 1.00 0.00 H new ATOM 0 HA ALA A 108 31.404 -4.320 6.325 1.00 0.00 H new ATOM 0 HB1 ALA A 108 30.854 -6.753 6.313 1.00 0.00 H new ATOM 0 HB2 ALA A 108 30.539 -6.021 7.904 1.00 0.00 H new ATOM 0 HB3 ALA A 108 29.186 -6.368 6.801 1.00 0.00 H new ATOM 1233 N GLN A 109 28.689 -4.626 4.493 1.00 0.00 N ATOM 1234 CA GLN A 109 28.197 -4.674 3.120 1.00 0.00 C ATOM 1235 C GLN A 109 28.842 -3.559 2.287 1.00 0.00 C ATOM 1236 O GLN A 109 28.889 -3.630 1.061 1.00 0.00 O ATOM 1237 CB GLN A 109 26.665 -4.534 3.119 1.00 0.00 C ATOM 1238 CG GLN A 109 26.003 -5.918 3.051 1.00 0.00 C ATOM 1239 CD GLN A 109 26.555 -6.813 4.154 1.00 0.00 C ATOM 1240 OE1 GLN A 109 26.637 -6.397 5.307 1.00 0.00 O ATOM 1241 NE2 GLN A 109 26.937 -8.028 3.867 1.00 0.00 N ATOM 0 H GLN A 109 27.961 -4.524 5.200 1.00 0.00 H new ATOM 0 HA GLN A 109 28.465 -5.631 2.673 1.00 0.00 H new ATOM 0 HB2 GLN A 109 26.340 -4.012 4.019 1.00 0.00 H new ATOM 0 HB3 GLN A 109 26.349 -3.930 2.269 1.00 0.00 H new ATOM 0 HG2 GLN A 109 24.923 -5.819 3.158 1.00 0.00 H new ATOM 0 HG3 GLN A 109 26.187 -6.371 2.077 1.00 0.00 H new ATOM 0 HE21 GLN A 109 26.868 -8.371 2.909 1.00 0.00 H new ATOM 0 HE22 GLN A 109 27.304 -8.634 4.601 1.00 0.00 H new ATOM 1250 N ARG A 110 29.321 -2.528 2.964 1.00 0.00 N ATOM 1251 CA ARG A 110 29.964 -1.409 2.284 1.00 0.00 C ATOM 1252 C ARG A 110 31.345 -1.823 1.767 1.00 0.00 C ATOM 1253 O ARG A 110 31.773 -1.394 0.695 1.00 0.00 O ATOM 1254 CB ARG A 110 30.110 -0.229 3.249 1.00 0.00 C ATOM 1255 CG ARG A 110 28.727 0.159 3.774 1.00 0.00 C ATOM 1256 CD ARG A 110 28.862 1.328 4.747 1.00 0.00 C ATOM 1257 NE ARG A 110 27.581 1.592 5.394 1.00 0.00 N ATOM 1258 CZ ARG A 110 27.465 2.537 6.320 1.00 0.00 C ATOM 1259 NH1 ARG A 110 28.505 3.248 6.659 1.00 0.00 N ATOM 1260 NH2 ARG A 110 26.312 2.753 6.891 1.00 0.00 N1+ ATOM 0 H ARG A 110 29.279 -2.440 3.979 1.00 0.00 H new ATOM 0 HA ARG A 110 29.344 -1.112 1.438 1.00 0.00 H new ATOM 0 HB2 ARG A 110 30.765 -0.499 4.077 1.00 0.00 H new ATOM 0 HB3 ARG A 110 30.571 0.618 2.741 1.00 0.00 H new ATOM 0 HG2 ARG A 110 28.076 0.435 2.945 1.00 0.00 H new ATOM 0 HG3 ARG A 110 28.264 -0.692 4.273 1.00 0.00 H new ATOM 0 HD2 ARG A 110 29.618 1.100 5.499 1.00 0.00 H new ATOM 0 HD3 ARG A 110 29.200 2.217 4.215 1.00 0.00 H new ATOM 0 HE ARG A 110 26.763 1.043 5.131 1.00 0.00 H new ATOM 0 HH11 ARG A 110 29.406 3.078 6.213 1.00 0.00 H new ATOM 0 HH12 ARG A 110 28.417 3.974 7.370 1.00 0.00 H new ATOM 0 HH21 ARG A 110 25.500 2.196 6.626 1.00 0.00 H new ATOM 0 HH22 ARG A 110 26.223 3.479 7.602 1.00 0.00 H new ATOM 1274 N HIS A 111 32.043 -2.647 2.552 1.00 0.00 N ATOM 1275 CA HIS A 111 33.386 -3.102 2.188 1.00 0.00 C ATOM 1276 C HIS A 111 33.365 -3.952 0.920 1.00 0.00 C ATOM 1277 O HIS A 111 34.205 -3.778 0.038 1.00 0.00 O ATOM 1278 CB HIS A 111 33.987 -3.927 3.332 1.00 0.00 C ATOM 1279 CG HIS A 111 35.417 -4.266 3.005 1.00 0.00 C ATOM 1280 ND1 HIS A 111 36.427 -3.318 3.041 1.00 0.00 N ATOM 1281 CD2 HIS A 111 36.022 -5.442 2.635 1.00 0.00 C ATOM 1282 CE1 HIS A 111 37.575 -3.930 2.702 1.00 0.00 C ATOM 1283 NE2 HIS A 111 37.385 -5.227 2.445 1.00 0.00 N ATOM 0 H HIS A 111 31.701 -3.012 3.441 1.00 0.00 H new ATOM 0 HA HIS A 111 33.995 -2.217 2.003 1.00 0.00 H new ATOM 0 HB2 HIS A 111 33.939 -3.365 4.265 1.00 0.00 H new ATOM 0 HB3 HIS A 111 33.410 -4.840 3.479 1.00 0.00 H new ATOM 0 HD2 HIS A 111 35.518 -6.389 2.510 1.00 0.00 H new ATOM 0 HE1 HIS A 111 38.533 -3.434 2.645 1.00 0.00 H new ATOM 0 HE2 HIS A 111 38.088 -5.913 2.169 1.00 0.00 H new ATOM 1291 N VAL A 112 32.410 -4.872 0.835 1.00 0.00 N ATOM 1292 CA VAL A 112 32.307 -5.738 -0.332 1.00 0.00 C ATOM 1293 C VAL A 112 31.914 -4.920 -1.556 1.00 0.00 C ATOM 1294 O VAL A 112 31.227 -3.906 -1.439 1.00 0.00 O ATOM 1295 CB VAL A 112 31.270 -6.832 -0.082 1.00 0.00 C ATOM 1296 CG1 VAL A 112 31.695 -7.675 1.118 1.00 0.00 C ATOM 1297 CG2 VAL A 112 29.933 -6.182 0.234 1.00 0.00 C ATOM 0 H VAL A 112 31.704 -5.036 1.552 1.00 0.00 H new ATOM 0 HA VAL A 112 33.276 -6.203 -0.513 1.00 0.00 H new ATOM 0 HB VAL A 112 31.188 -7.463 -0.967 1.00 0.00 H new ATOM 0 HG11 VAL A 112 30.954 -8.455 1.295 1.00 0.00 H new ATOM 0 HG12 VAL A 112 32.663 -8.133 0.916 1.00 0.00 H new ATOM 0 HG13 VAL A 112 31.771 -7.040 2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 112 29.186 -6.955 0.414 1.00 0.00 H new ATOM 0 HG22 VAL A 112 30.032 -5.559 1.123 1.00 0.00 H new ATOM 0 HG23 VAL A 112 29.620 -5.565 -0.608 1.00 0.00 H new ATOM 1307 N LEU A 113 32.364 -5.357 -2.723 1.00 0.00 N ATOM 1308 CA LEU A 113 32.072 -4.648 -3.961 1.00 0.00 C ATOM 1309 C LEU A 113 30.641 -4.916 -4.411 1.00 0.00 C ATOM 1310 O LEU A 113 30.130 -4.253 -5.314 1.00 0.00 O ATOM 1311 CB LEU A 113 33.043 -5.105 -5.049 1.00 0.00 C ATOM 1312 CG LEU A 113 34.487 -4.933 -4.563 1.00 0.00 C ATOM 1313 CD1 LEU A 113 35.441 -5.436 -5.650 1.00 0.00 C ATOM 1314 CD2 LEU A 113 34.770 -3.453 -4.264 1.00 0.00 C ATOM 0 H LEU A 113 32.931 -6.197 -2.839 1.00 0.00 H new ATOM 0 HA LEU A 113 32.187 -3.578 -3.786 1.00 0.00 H new ATOM 0 HB2 LEU A 113 32.856 -6.149 -5.301 1.00 0.00 H new ATOM 0 HB3 LEU A 113 32.884 -4.525 -5.958 1.00 0.00 H new ATOM 0 HG LEU A 113 34.635 -5.507 -3.649 1.00 0.00 H new ATOM 0 HD11 LEU A 113 36.471 -5.318 -5.313 1.00 0.00 H new ATOM 0 HD12 LEU A 113 35.243 -6.489 -5.849 1.00 0.00 H new ATOM 0 HD13 LEU A 113 35.289 -4.860 -6.563 1.00 0.00 H new ATOM 0 HD21 LEU A 113 35.798 -3.342 -3.919 1.00 0.00 H new ATOM 0 HD22 LEU A 113 34.625 -2.865 -5.170 1.00 0.00 H new ATOM 0 HD23 LEU A 113 34.088 -3.101 -3.490 1.00 0.00 H new ATOM 1326 N ASP A 114 29.996 -5.895 -3.778 1.00 0.00 N ATOM 1327 CA ASP A 114 28.616 -6.251 -4.121 1.00 0.00 C ATOM 1328 C ASP A 114 27.750 -6.310 -2.862 1.00 0.00 C ATOM 1329 O ASP A 114 27.486 -7.387 -2.331 1.00 0.00 O ATOM 1330 CB ASP A 114 28.591 -7.616 -4.823 1.00 0.00 C ATOM 1331 CG ASP A 114 29.332 -8.651 -3.984 1.00 0.00 C ATOM 1332 OD1 ASP A 114 30.108 -8.249 -3.134 1.00 0.00 O1- ATOM 1333 OD2 ASP A 114 29.113 -9.832 -4.203 1.00 0.00 O ATOM 0 H ASP A 114 30.403 -6.454 -3.028 1.00 0.00 H new ATOM 0 HA ASP A 114 28.216 -5.488 -4.789 1.00 0.00 H new ATOM 0 HB2 ASP A 114 27.560 -7.934 -4.980 1.00 0.00 H new ATOM 0 HB3 ASP A 114 29.053 -7.536 -5.807 1.00 0.00 H new ATOM 1338 N PRO A 115 27.308 -5.176 -2.378 1.00 0.00 N ATOM 1339 CA PRO A 115 26.452 -5.100 -1.154 1.00 0.00 C ATOM 1340 C PRO A 115 25.154 -5.890 -1.318 1.00 0.00 C ATOM 1341 O PRO A 115 24.585 -5.942 -2.408 1.00 0.00 O ATOM 1342 CB PRO A 115 26.164 -3.593 -0.998 1.00 0.00 C ATOM 1343 CG PRO A 115 27.230 -2.902 -1.790 1.00 0.00 C ATOM 1344 CD PRO A 115 27.578 -3.842 -2.940 1.00 0.00 C ATOM 0 HA PRO A 115 26.942 -5.533 -0.282 1.00 0.00 H new ATOM 0 HB2 PRO A 115 25.171 -3.342 -1.372 1.00 0.00 H new ATOM 0 HB3 PRO A 115 26.196 -3.293 0.049 1.00 0.00 H new ATOM 0 HG2 PRO A 115 26.876 -1.942 -2.165 1.00 0.00 H new ATOM 0 HG3 PRO A 115 28.105 -2.700 -1.173 1.00 0.00 H new ATOM 0 HD2 PRO A 115 26.966 -3.645 -3.820 1.00 0.00 H new ATOM 0 HD3 PRO A 115 28.619 -3.737 -3.245 1.00 0.00 H new ATOM 1352 N ARG A 116 24.697 -6.507 -0.232 1.00 0.00 N ATOM 1353 CA ARG A 116 23.467 -7.297 -0.267 1.00 0.00 C ATOM 1354 C ARG A 116 22.647 -7.063 1.001 1.00 0.00 C ATOM 1355 O ARG A 116 23.137 -7.266 2.111 1.00 0.00 O ATOM 1356 CB ARG A 116 23.819 -8.784 -0.387 1.00 0.00 C ATOM 1357 CG ARG A 116 24.996 -8.959 -1.348 1.00 0.00 C ATOM 1358 CD ARG A 116 25.241 -10.451 -1.578 1.00 0.00 C ATOM 1359 NE ARG A 116 25.623 -11.093 -0.326 1.00 0.00 N ATOM 1360 CZ ARG A 116 26.834 -10.926 0.191 1.00 0.00 C ATOM 1361 NH1 ARG A 116 27.707 -10.174 -0.422 1.00 0.00 N ATOM 1362 NH2 ARG A 116 27.151 -11.511 1.314 1.00 0.00 N1+ ATOM 0 H ARG A 116 25.156 -6.477 0.679 1.00 0.00 H new ATOM 0 HA ARG A 116 22.874 -6.990 -1.128 1.00 0.00 H new ATOM 0 HB2 ARG A 116 24.074 -9.188 0.593 1.00 0.00 H new ATOM 0 HB3 ARG A 116 22.956 -9.344 -0.748 1.00 0.00 H new ATOM 0 HG2 ARG A 116 24.784 -8.463 -2.295 1.00 0.00 H new ATOM 0 HG3 ARG A 116 25.890 -8.491 -0.936 1.00 0.00 H new ATOM 0 HD2 ARG A 116 24.340 -10.919 -1.976 1.00 0.00 H new ATOM 0 HD3 ARG A 116 26.026 -10.589 -2.321 1.00 0.00 H new ATOM 0 HE ARG A 116 24.947 -11.681 0.162 1.00 0.00 H new ATOM 0 HH11 ARG A 116 27.459 -9.715 -1.298 1.00 0.00 H new ATOM 0 HH12 ARG A 116 28.638 -10.046 -0.025 1.00 0.00 H new ATOM 0 HH21 ARG A 116 26.468 -12.097 1.794 1.00 0.00 H new ATOM 0 HH22 ARG A 116 28.082 -11.382 1.711 1.00 0.00 H new ATOM 1376 N CYS A 117 21.399 -6.630 0.831 1.00 0.00 N ATOM 1377 CA CYS A 117 20.528 -6.367 1.976 1.00 0.00 C ATOM 1378 C CYS A 117 20.682 -7.454 3.035 1.00 0.00 C ATOM 1379 O CYS A 117 21.061 -8.583 2.726 1.00 0.00 O ATOM 1380 CB CYS A 117 19.060 -6.306 1.532 1.00 0.00 C ATOM 1381 SG CYS A 117 18.935 -5.430 -0.042 1.00 0.00 S ATOM 0 H CYS A 117 20.971 -6.455 -0.078 1.00 0.00 H new ATOM 0 HA CYS A 117 20.821 -5.407 2.401 1.00 0.00 H new ATOM 0 HB2 CYS A 117 18.659 -7.314 1.431 1.00 0.00 H new ATOM 0 HB3 CYS A 117 18.462 -5.799 2.289 1.00 0.00 H new ATOM 1386 N GLN A 118 20.384 -7.103 4.280 1.00 0.00 N ATOM 1387 CA GLN A 118 20.493 -8.059 5.374 1.00 0.00 C ATOM 1388 C GLN A 118 19.614 -9.275 5.098 1.00 0.00 C ATOM 1389 O GLN A 118 19.827 -10.350 5.660 1.00 0.00 O ATOM 1390 CB GLN A 118 20.067 -7.400 6.686 1.00 0.00 C ATOM 1391 CG GLN A 118 20.919 -6.153 6.938 1.00 0.00 C ATOM 1392 CD GLN A 118 22.393 -6.531 7.053 1.00 0.00 C ATOM 1393 OE1 GLN A 118 22.934 -6.659 8.233 1.00 0.00 O flip ATOM 1394 NE2 GLN A 118 23.068 -6.715 6.041 1.00 0.00 N flip ATOM 0 H GLN A 118 20.068 -6.173 4.555 1.00 0.00 H new ATOM 0 HA GLN A 118 21.531 -8.383 5.456 1.00 0.00 H new ATOM 0 HB2 GLN A 118 19.012 -7.129 6.642 1.00 0.00 H new ATOM 0 HB3 GLN A 118 20.181 -8.103 7.511 1.00 0.00 H new ATOM 0 HG2 GLN A 118 20.782 -5.441 6.125 1.00 0.00 H new ATOM 0 HG3 GLN A 118 20.591 -5.659 7.853 1.00 0.00 H new ATOM 0 HE21 GLN A 118 22.643 -6.614 5.119 1.00 0.00 H new ATOM 0 HE22 GLN A 118 24.053 -6.968 6.124 1.00 0.00 H new ATOM 1403 N ILE A 119 18.624 -9.100 4.230 1.00 0.00 N ATOM 1404 CA ILE A 119 17.723 -10.193 3.879 1.00 0.00 C ATOM 1405 C ILE A 119 18.284 -10.985 2.695 1.00 0.00 C ATOM 1406 O ILE A 119 17.912 -12.137 2.475 1.00 0.00 O ATOM 1407 CB ILE A 119 16.345 -9.633 3.522 1.00 0.00 C ATOM 1408 CG1 ILE A 119 15.907 -8.623 4.592 1.00 0.00 C ATOM 1409 CG2 ILE A 119 15.332 -10.780 3.446 1.00 0.00 C ATOM 1410 CD1 ILE A 119 16.018 -9.244 5.988 1.00 0.00 C ATOM 0 H ILE A 119 18.425 -8.218 3.759 1.00 0.00 H new ATOM 0 HA ILE A 119 17.630 -10.861 4.735 1.00 0.00 H new ATOM 0 HB ILE A 119 16.395 -9.132 2.555 1.00 0.00 H new ATOM 0 HG12 ILE A 119 16.528 -7.729 4.534 1.00 0.00 H new ATOM 0 HG13 ILE A 119 14.880 -8.310 4.407 1.00 0.00 H new ATOM 0 HG21 ILE A 119 14.350 -10.382 3.192 1.00 0.00 H new ATOM 0 HG22 ILE A 119 15.644 -11.491 2.681 1.00 0.00 H new ATOM 0 HG23 ILE A 119 15.280 -11.284 4.411 1.00 0.00 H new ATOM 0 HD11 ILE A 119 15.704 -8.516 6.736 1.00 0.00 H new ATOM 0 HD12 ILE A 119 15.377 -10.124 6.047 1.00 0.00 H new ATOM 0 HD13 ILE A 119 17.052 -9.535 6.176 1.00 0.00 H new ATOM 1422 N CYS A 120 19.195 -10.362 1.942 1.00 0.00 N ATOM 1423 CA CYS A 120 19.811 -11.024 0.788 1.00 0.00 C ATOM 1424 C CYS A 120 20.954 -11.937 1.221 1.00 0.00 C ATOM 1425 O CYS A 120 21.166 -12.998 0.635 1.00 0.00 O ATOM 1426 CB CYS A 120 20.309 -9.981 -0.223 1.00 0.00 C ATOM 1427 SG CYS A 120 18.875 -9.196 -0.988 1.00 0.00 S ATOM 0 H CYS A 120 19.520 -9.410 2.108 1.00 0.00 H new ATOM 0 HA CYS A 120 19.052 -11.642 0.309 1.00 0.00 H new ATOM 0 HB2 CYS A 120 20.928 -9.235 0.276 1.00 0.00 H new ATOM 0 HB3 CYS A 120 20.931 -10.456 -0.982 1.00 0.00 H new ATOM 1432 N VAL A 121 21.679 -11.526 2.255 1.00 0.00 N ATOM 1433 CA VAL A 121 22.787 -12.329 2.766 1.00 0.00 C ATOM 1434 C VAL A 121 22.267 -13.620 3.403 1.00 0.00 C ATOM 1435 O VAL A 121 22.863 -14.684 3.249 1.00 0.00 O ATOM 1436 CB VAL A 121 23.584 -11.524 3.795 1.00 0.00 C ATOM 1437 CG1 VAL A 121 24.194 -10.296 3.118 1.00 0.00 C ATOM 1438 CG2 VAL A 121 22.656 -11.059 4.917 1.00 0.00 C ATOM 0 H VAL A 121 21.523 -10.650 2.753 1.00 0.00 H new ATOM 0 HA VAL A 121 23.439 -12.591 1.932 1.00 0.00 H new ATOM 0 HB VAL A 121 24.373 -12.153 4.207 1.00 0.00 H new ATOM 0 HG11 VAL A 121 24.762 -9.722 3.850 1.00 0.00 H new ATOM 0 HG12 VAL A 121 24.857 -10.616 2.314 1.00 0.00 H new ATOM 0 HG13 VAL A 121 23.399 -9.674 2.707 1.00 0.00 H new ATOM 0 HG21 VAL A 121 23.227 -10.486 5.648 1.00 0.00 H new ATOM 0 HG22 VAL A 121 21.867 -10.432 4.501 1.00 0.00 H new ATOM 0 HG23 VAL A 121 22.211 -11.927 5.404 1.00 0.00 H new ATOM 1448 N HIS A 122 21.151 -13.513 4.123 1.00 0.00 N ATOM 1449 CA HIS A 122 20.559 -14.674 4.785 1.00 0.00 C ATOM 1450 C HIS A 122 19.637 -15.432 3.835 1.00 0.00 C ATOM 1451 O HIS A 122 18.911 -16.339 4.250 1.00 0.00 O ATOM 1452 CB HIS A 122 19.765 -14.223 6.014 1.00 0.00 C ATOM 1453 CG HIS A 122 20.716 -13.744 7.077 1.00 0.00 C ATOM 1454 ND1 HIS A 122 20.671 -12.454 7.584 1.00 0.00 N ATOM 1455 CD2 HIS A 122 21.742 -14.372 7.740 1.00 0.00 C ATOM 1456 CE1 HIS A 122 21.641 -12.349 8.511 1.00 0.00 C ATOM 1457 NE2 HIS A 122 22.324 -13.489 8.644 1.00 0.00 N ATOM 0 H HIS A 122 20.642 -12.640 4.262 1.00 0.00 H new ATOM 0 HA HIS A 122 21.366 -15.339 5.092 1.00 0.00 H new ATOM 0 HB2 HIS A 122 19.075 -13.424 5.742 1.00 0.00 H new ATOM 0 HB3 HIS A 122 19.163 -15.048 6.394 1.00 0.00 H new ATOM 0 HD1 HIS A 122 20.021 -11.719 7.305 1.00 0.00 H new ATOM 0 HD2 HIS A 122 22.050 -15.395 7.583 1.00 0.00 H new ATOM 0 HE1 HIS A 122 21.843 -11.452 9.078 1.00 0.00 H new ATOM 1465 N SER A 123 19.674 -15.064 2.556 1.00 0.00 N ATOM 1466 CA SER A 123 18.840 -15.721 1.548 1.00 0.00 C ATOM 1467 C SER A 123 19.610 -16.853 0.870 1.00 0.00 C ATOM 1468 O SER A 123 19.159 -18.000 0.855 1.00 0.00 O ATOM 1469 CB SER A 123 18.399 -14.705 0.491 1.00 0.00 C ATOM 1470 OG SER A 123 17.598 -15.360 -0.483 1.00 0.00 O ATOM 0 H SER A 123 20.268 -14.319 2.193 1.00 0.00 H new ATOM 0 HA SER A 123 17.963 -16.136 2.045 1.00 0.00 H new ATOM 0 HB2 SER A 123 17.836 -13.897 0.959 1.00 0.00 H new ATOM 0 HB3 SER A 123 19.271 -14.253 0.018 1.00 0.00 H new ATOM 0 HG SER A 123 17.312 -14.712 -1.161 1.00 0.00 H new ATOM 1476 N GLN A 124 20.773 -16.521 0.307 1.00 0.00 N ATOM 1477 CA GLN A 124 21.606 -17.512 -0.380 1.00 0.00 C ATOM 1478 C GLN A 124 23.085 -17.256 -0.108 1.00 0.00 C ATOM 1479 O GLN A 124 23.949 -17.675 -0.878 1.00 0.00 O ATOM 1480 CB GLN A 124 21.343 -17.456 -1.888 1.00 0.00 C ATOM 1481 CG GLN A 124 21.701 -16.065 -2.422 1.00 0.00 C ATOM 1482 CD GLN A 124 21.354 -15.971 -3.903 1.00 0.00 C ATOM 1483 OE1 GLN A 124 20.734 -16.881 -4.455 1.00 0.00 O ATOM 1484 NE2 GLN A 124 21.717 -14.919 -4.584 1.00 0.00 N ATOM 0 H GLN A 124 21.159 -15.577 0.312 1.00 0.00 H new ATOM 0 HA GLN A 124 21.348 -18.501 -0.001 1.00 0.00 H new ATOM 0 HB2 GLN A 124 21.935 -18.216 -2.399 1.00 0.00 H new ATOM 0 HB3 GLN A 124 20.295 -17.677 -2.093 1.00 0.00 H new ATOM 0 HG2 GLN A 124 21.159 -15.301 -1.864 1.00 0.00 H new ATOM 0 HG3 GLN A 124 22.764 -15.873 -2.276 1.00 0.00 H new ATOM 0 HE21 GLN A 124 22.230 -14.167 -4.125 1.00 0.00 H new ATOM 0 HE22 GLN A 124 21.487 -14.849 -5.575 1.00 0.00 H new ATOM 1493 N ARG A 125 23.372 -16.566 0.990 1.00 0.00 N ATOM 1494 CA ARG A 125 24.753 -16.261 1.348 1.00 0.00 C ATOM 1495 C ARG A 125 25.505 -15.690 0.150 1.00 0.00 C ATOM 1496 O ARG A 125 25.466 -14.487 -0.101 1.00 0.00 O ATOM 1497 CB ARG A 125 25.456 -17.528 1.837 1.00 0.00 C ATOM 1498 CG ARG A 125 24.884 -17.936 3.195 1.00 0.00 C ATOM 1499 CD ARG A 125 25.569 -19.215 3.676 1.00 0.00 C ATOM 1500 NE ARG A 125 25.010 -19.636 4.957 1.00 0.00 N ATOM 1501 CZ ARG A 125 25.449 -19.121 6.102 1.00 0.00 C ATOM 1502 NH1 ARG A 125 26.391 -18.218 6.094 1.00 0.00 N ATOM 1503 NH2 ARG A 125 24.935 -19.519 7.233 1.00 0.00 N1+ ATOM 0 H ARG A 125 22.674 -16.210 1.643 1.00 0.00 H new ATOM 0 HA ARG A 125 24.746 -15.518 2.145 1.00 0.00 H new ATOM 0 HB2 ARG A 125 25.320 -18.334 1.116 1.00 0.00 H new ATOM 0 HB3 ARG A 125 26.529 -17.353 1.920 1.00 0.00 H new ATOM 0 HG2 ARG A 125 25.035 -17.136 3.920 1.00 0.00 H new ATOM 0 HG3 ARG A 125 23.809 -18.095 3.115 1.00 0.00 H new ATOM 0 HD2 ARG A 125 25.439 -20.006 2.937 1.00 0.00 H new ATOM 0 HD3 ARG A 125 26.641 -19.046 3.777 1.00 0.00 H new ATOM 0 HE ARG A 125 24.270 -20.337 4.974 1.00 0.00 H new ATOM 0 HH11 ARG A 125 26.791 -17.906 5.209 1.00 0.00 H new ATOM 0 HH12 ARG A 125 26.727 -17.824 6.973 1.00 0.00 H new ATOM 0 HH21 ARG A 125 24.198 -20.224 7.238 1.00 0.00 H new ATOM 0 HH22 ARG A 125 25.270 -19.125 8.112 1.00 0.00 H new ATOM 1517 N ASN A 126 26.191 -16.561 -0.581 1.00 0.00 N ATOM 1518 CA ASN A 126 26.950 -16.130 -1.748 1.00 0.00 C ATOM 1519 C ASN A 126 27.420 -17.334 -2.557 1.00 0.00 C ATOM 1520 O ASN A 126 27.303 -18.441 -2.058 1.00 0.00 O ATOM 1521 CB ASN A 126 28.160 -15.305 -1.305 1.00 0.00 C ATOM 1522 CG ASN A 126 29.016 -16.115 -0.337 1.00 0.00 C ATOM 1523 OD1 ASN A 126 29.207 -17.316 -0.530 1.00 0.00 O ATOM 1524 ND2 ASN A 126 29.543 -15.528 0.703 1.00 0.00 N ATOM 1525 OXT ASN A 126 27.892 -17.131 -3.663 1.00 0.00 O ATOM 0 H ASN A 126 26.237 -17.562 -0.388 1.00 0.00 H new ATOM 0 HA ASN A 126 26.302 -15.518 -2.375 1.00 0.00 H new ATOM 0 HB2 ASN A 126 28.752 -15.017 -2.174 1.00 0.00 H new ATOM 0 HB3 ASN A 126 27.827 -14.384 -0.826 1.00 0.00 H new ATOM 0 HD21 ASN A 126 30.114 -16.064 1.357 1.00 0.00 H new ATOM 0 HD22 ASN A 126 29.384 -14.533 0.862 1.00 0.00 H new TER 1532 ASN A 126 HETATM 1533 ZN ZN A 300 20.125 8.481 -13.600 1.00 0.00 ZN HETATM 1534 ZN ZN A 301 18.948 -7.014 -1.688 1.00 0.00 ZN