USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 985 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 96 THR OG1 : rot 180:sc= -0.0125 USER MOD Set 1.2: A 97 ASN : amide:sc= 0 X(o=-0.012,f=-0.012) USER MOD Set 2.1: A 37 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.00813) USER MOD Set 2.2: A 77 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.00155) USER MOD Set 3.1: A 65 LYS NZ :NH3+ 163:sc= -0.369 (180deg=-0.571) USER MOD Set 3.2: A 68 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 23 TYR OH : rot 54:sc= -0.904! USER MOD Set 4.2: A 112 HIS : no HD1:sc= -15.4! C(o=-16!,f=-18!) USER MOD Set 5.1: A 12 TYR OH : rot 180:sc= 0.00829 USER MOD Set 5.2: A 107 THR OG1 : rot -169:sc= 0.0112 USER MOD Single : A 1 PHE N :NH3+ -146:sc= 1.17 (180deg=0.109) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 178:sc= -1 USER MOD Single : A 24 SER OG : rot 180:sc= 0.0059 USER MOD Single : A 27 SER OG : rot -79:sc= 0.624 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 30 ASN : amide:sc= -0.113 K(o=-0.11,f=-1.7) USER MOD Single : A 31 LYS NZ :NH3+ -152:sc= -0.505 (180deg=-1.41) USER MOD Single : A 34 GLN :FLIP amide:sc= -1.82 F(o=-5.1!,f=-1.8) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-2.9!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00347) USER MOD Single : A 51 MET CE :methyl -134:sc= -7.16! (180deg=-10!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.644 USER MOD Single : A 57 ASN : amide:sc= -2.09 X(o=-2.1,f=-2.2) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0718) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -156:sc= -0.0358 (180deg=-0.428) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 154:sc= -0.0785 (180deg=-0.849) USER MOD Single : A 73 THR OG1 : rot 180:sc= -1.38 USER MOD Single : A 75 LYS NZ :NH3+ -131:sc= -0.187 (180deg=-0.911) USER MOD Single : A 79 SER OG : rot -91:sc= -1.3! USER MOD Single : A 82 THR OG1 : rot -70:sc= -2.49! USER MOD Single : A 83 SER OG : rot -48:sc= 1.15 USER MOD Single : A 84 ASN : amide:sc= -0.0841 K(o=-0.084,f=-1.9!) USER MOD Single : A 87 ASN :FLIP amide:sc= -0.49 F(o=-1.6,f=-0.49) USER MOD Single : A 92 ASN : amide:sc= -0.0167 X(o=-0.017,f=-0.25) USER MOD Single : A 98 THR OG1 : rot -56:sc= -0.243 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl 147:sc= -4.16 (180deg=-7.65!) USER MOD Single : A 109 MET CE :methyl 164:sc= -0.02 (180deg=-0.415) USER MOD Single : A 110 SER OG : rot 33:sc= 0.00104 USER MOD Single : A 118 CYS SG : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0.00299 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -7.382 -14.934 37.426 1.00 0.00 N ATOM 2 CA PHE A 1 -5.942 -14.569 37.490 1.00 0.00 C ATOM 3 C PHE A 1 -5.485 -13.898 36.198 1.00 0.00 C ATOM 4 O PHE A 1 -5.799 -14.361 35.103 1.00 0.00 O ATOM 5 CB PHE A 1 -5.128 -15.840 37.742 1.00 0.00 C ATOM 6 CG PHE A 1 -5.381 -16.924 36.733 1.00 0.00 C ATOM 7 CD1 PHE A 1 -6.407 -17.836 36.920 1.00 0.00 C ATOM 8 CD2 PHE A 1 -4.592 -17.030 35.599 1.00 0.00 C ATOM 9 CE1 PHE A 1 -6.643 -18.835 35.994 1.00 0.00 C ATOM 10 CE2 PHE A 1 -4.823 -18.027 34.670 1.00 0.00 C ATOM 11 CZ PHE A 1 -5.849 -18.930 34.868 1.00 0.00 C ATOM 0 H1 PHE A 1 -7.807 -14.835 38.370 1.00 0.00 H new ATOM 0 H2 PHE A 1 -7.871 -14.304 36.758 1.00 0.00 H new ATOM 0 H3 PHE A 1 -7.477 -15.919 37.105 1.00 0.00 H new ATOM 0 HA PHE A 1 -5.789 -13.857 38.301 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -4.067 -15.590 37.736 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -5.360 -16.219 38.737 1.00 0.00 H new ATOM 0 HD1 PHE A 1 -7.030 -17.766 37.800 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -3.788 -16.326 35.439 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -7.446 -19.540 36.151 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -4.201 -18.100 33.790 1.00 0.00 H new ATOM 0 HZ PHE A 1 -6.030 -19.710 34.143 1.00 0.00 H new ATOM 22 N ALA A 2 -4.743 -12.804 36.337 1.00 0.00 N ATOM 23 CA ALA A 2 -4.243 -12.069 35.181 1.00 0.00 C ATOM 24 C ALA A 2 -2.945 -11.341 35.513 1.00 0.00 C ATOM 25 O ALA A 2 -2.921 -10.453 36.367 1.00 0.00 O ATOM 26 CB ALA A 2 -5.292 -11.085 34.687 1.00 0.00 C ATOM 0 H ALA A 2 -4.475 -12.407 37.238 1.00 0.00 H new ATOM 0 HA ALA A 2 -4.033 -12.787 34.388 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.905 -10.543 33.824 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.193 -11.627 34.401 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.531 -10.378 35.482 1.00 0.00 H new ATOM 32 N LYS A 3 -1.868 -11.721 34.834 1.00 0.00 N ATOM 33 CA LYS A 3 -0.566 -11.103 35.058 1.00 0.00 C ATOM 34 C LYS A 3 -0.191 -10.189 33.896 1.00 0.00 C ATOM 35 O LYS A 3 0.331 -9.093 34.098 1.00 0.00 O ATOM 36 CB LYS A 3 0.506 -12.177 35.244 1.00 0.00 C ATOM 37 CG LYS A 3 0.428 -12.889 36.585 1.00 0.00 C ATOM 38 CD LYS A 3 0.875 -14.337 36.474 1.00 0.00 C ATOM 39 CE LYS A 3 1.667 -14.772 37.697 1.00 0.00 C ATOM 40 NZ LYS A 3 1.685 -16.252 37.849 1.00 0.00 N ATOM 0 H LYS A 3 -1.871 -12.454 34.124 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.628 -10.501 35.965 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.413 -12.913 34.445 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.490 -11.718 35.142 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.053 -12.369 37.311 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.595 -12.851 36.959 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.003 -14.980 36.357 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.486 -14.463 35.580 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.689 -14.403 37.617 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.234 -14.321 38.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.235 -16.508 38.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.711 -16.602 37.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.122 -16.682 37.009 1.00 0.00 H new ATOM 54 N LEU A 4 -0.461 -10.649 32.678 1.00 0.00 N ATOM 55 CA LEU A 4 -0.150 -9.873 31.483 1.00 0.00 C ATOM 56 C LEU A 4 -0.924 -8.558 31.472 1.00 0.00 C ATOM 57 O LEU A 4 -2.028 -8.471 32.009 1.00 0.00 O ATOM 58 CB LEU A 4 -0.478 -10.681 30.226 1.00 0.00 C ATOM 59 CG LEU A 4 -1.922 -11.179 30.134 1.00 0.00 C ATOM 60 CD1 LEU A 4 -2.809 -10.127 29.488 1.00 0.00 C ATOM 61 CD2 LEU A 4 -1.986 -12.485 29.356 1.00 0.00 C ATOM 0 H LEU A 4 -0.894 -11.554 32.493 1.00 0.00 H new ATOM 0 HA LEU A 4 0.916 -9.647 31.494 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.266 -10.066 29.352 1.00 0.00 H new ATOM 0 HB3 LEU A 4 0.190 -11.541 30.181 1.00 0.00 H new ATOM 0 HG LEU A 4 -2.289 -11.362 31.144 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.832 -10.499 29.431 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.787 -9.216 30.086 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -2.445 -9.911 28.484 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.020 -12.825 29.300 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.601 -12.328 28.349 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.383 -13.239 29.861 1.00 0.00 H new ATOM 73 N VAL A 5 -0.336 -7.537 30.857 1.00 0.00 N ATOM 74 CA VAL A 5 -0.969 -6.227 30.777 1.00 0.00 C ATOM 75 C VAL A 5 -0.938 -5.688 29.351 1.00 0.00 C ATOM 76 O VAL A 5 -0.041 -4.930 28.983 1.00 0.00 O ATOM 77 CB VAL A 5 -0.284 -5.213 31.710 1.00 0.00 C ATOM 78 CG1 VAL A 5 -0.651 -5.487 33.161 1.00 0.00 C ATOM 79 CG2 VAL A 5 1.224 -5.245 31.520 1.00 0.00 C ATOM 0 H VAL A 5 0.578 -7.592 30.407 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.004 -6.357 31.092 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.639 -4.215 31.452 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.157 -4.760 33.805 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.731 -5.406 33.285 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.328 -6.492 33.434 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.690 -4.521 32.188 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.598 -6.243 31.748 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.466 -4.994 30.487 1.00 0.00 H new ATOM 89 N ARG A 6 -1.923 -6.086 28.551 1.00 0.00 N ATOM 90 CA ARG A 6 -2.008 -5.642 27.165 1.00 0.00 C ATOM 91 C ARG A 6 -3.246 -4.775 26.945 1.00 0.00 C ATOM 92 O ARG A 6 -4.306 -5.274 26.568 1.00 0.00 O ATOM 93 CB ARG A 6 -2.044 -6.848 26.224 1.00 0.00 C ATOM 94 CG ARG A 6 -0.668 -7.304 25.768 1.00 0.00 C ATOM 95 CD ARG A 6 -0.118 -8.400 26.667 1.00 0.00 C ATOM 96 NE ARG A 6 0.816 -7.875 27.662 1.00 0.00 N ATOM 97 CZ ARG A 6 1.691 -8.626 28.326 1.00 0.00 C ATOM 98 NH1 ARG A 6 1.756 -9.934 28.106 1.00 0.00 N ATOM 99 NH2 ARG A 6 2.503 -8.068 29.213 1.00 0.00 N ATOM 0 H ARG A 6 -2.673 -6.715 28.839 1.00 0.00 H new ATOM 0 HA ARG A 6 -1.124 -5.043 26.947 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -2.544 -7.676 26.727 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.643 -6.598 25.349 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.726 -7.668 24.742 1.00 0.00 H new ATOM 0 HG3 ARG A 6 0.016 -6.455 25.767 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.943 -8.902 27.173 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.386 -9.150 26.057 1.00 0.00 H new ATOM 0 HE ARG A 6 0.796 -6.874 27.859 1.00 0.00 H new ATOM 0 HH11 ARG A 6 1.133 -10.368 27.425 1.00 0.00 H new ATOM 0 HH12 ARG A 6 2.429 -10.504 28.618 1.00 0.00 H new ATOM 0 HH21 ARG A 6 2.457 -7.064 29.386 1.00 0.00 H new ATOM 0 HH22 ARG A 6 3.174 -8.643 29.723 1.00 0.00 H new ATOM 113 N PRO A 7 -3.126 -3.456 27.180 1.00 0.00 N ATOM 114 CA PRO A 7 -4.241 -2.519 27.005 1.00 0.00 C ATOM 115 C PRO A 7 -4.894 -2.643 25.631 1.00 0.00 C ATOM 116 O PRO A 7 -4.351 -3.286 24.734 1.00 0.00 O ATOM 117 CB PRO A 7 -3.581 -1.148 27.162 1.00 0.00 C ATOM 118 CG PRO A 7 -2.376 -1.400 28.000 1.00 0.00 C ATOM 119 CD PRO A 7 -1.897 -2.778 27.632 1.00 0.00 C ATOM 0 HA PRO A 7 -5.044 -2.704 27.718 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -3.309 -0.727 26.194 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -4.254 -0.437 27.641 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.604 -0.654 27.808 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -2.619 -1.342 29.061 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -1.143 -2.745 26.845 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -1.446 -3.288 28.484 1.00 0.00 H new ATOM 127 N PRO A 8 -6.073 -2.025 25.449 1.00 0.00 N ATOM 128 CA PRO A 8 -6.800 -2.070 24.176 1.00 0.00 C ATOM 129 C PRO A 8 -6.101 -1.267 23.083 1.00 0.00 C ATOM 130 O PRO A 8 -5.647 -0.147 23.316 1.00 0.00 O ATOM 131 CB PRO A 8 -8.154 -1.445 24.516 1.00 0.00 C ATOM 132 CG PRO A 8 -7.881 -0.561 25.682 1.00 0.00 C ATOM 133 CD PRO A 8 -6.791 -1.236 26.468 1.00 0.00 C ATOM 0 HA PRO A 8 -6.872 -3.084 23.783 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.551 -0.878 23.674 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.892 -2.209 24.762 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.569 0.431 25.355 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.776 -0.429 26.290 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.135 -0.511 26.950 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.197 -1.871 27.255 1.00 0.00 H new ATOM 141 N VAL A 9 -6.020 -1.847 21.890 1.00 0.00 N ATOM 142 CA VAL A 9 -5.379 -1.185 20.761 1.00 0.00 C ATOM 143 C VAL A 9 -5.708 -1.894 19.450 1.00 0.00 C ATOM 144 O VAL A 9 -5.282 -3.025 19.221 1.00 0.00 O ATOM 145 CB VAL A 9 -3.848 -1.131 20.939 1.00 0.00 C ATOM 146 CG1 VAL A 9 -3.265 -2.534 21.016 1.00 0.00 C ATOM 147 CG2 VAL A 9 -3.204 -0.338 19.810 1.00 0.00 C ATOM 0 H VAL A 9 -6.390 -2.774 21.681 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.767 -0.167 20.725 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.631 -0.623 21.878 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.184 -2.472 21.142 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.699 -3.062 21.865 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.493 -3.074 20.097 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.124 -0.312 19.954 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.431 -0.813 18.856 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.595 0.679 19.811 1.00 0.00 H new ATOM 157 N GLN A 10 -6.467 -1.218 18.594 1.00 0.00 N ATOM 158 CA GLN A 10 -6.853 -1.783 17.305 1.00 0.00 C ATOM 159 C GLN A 10 -6.149 -1.061 16.161 1.00 0.00 C ATOM 160 O GLN A 10 -5.854 -1.657 15.126 1.00 0.00 O ATOM 161 CB GLN A 10 -8.369 -1.697 17.122 1.00 0.00 C ATOM 162 CG GLN A 10 -8.900 -0.272 17.102 1.00 0.00 C ATOM 163 CD GLN A 10 -10.200 -0.124 17.866 1.00 0.00 C ATOM 164 OE1 GLN A 10 -11.230 -0.675 17.475 1.00 0.00 O ATOM 165 NE2 GLN A 10 -10.162 0.622 18.963 1.00 0.00 N ATOM 0 H GLN A 10 -6.827 -0.280 18.769 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.550 -2.830 17.290 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -8.643 -2.191 16.190 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -8.856 -2.246 17.928 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -8.153 0.396 17.530 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -9.052 0.041 16.069 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -9.287 1.061 19.251 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -11.007 0.757 19.518 1.00 0.00 H new ATOM 174 N ILE A 11 -5.882 0.226 16.357 1.00 0.00 N ATOM 175 CA ILE A 11 -5.212 1.028 15.340 1.00 0.00 C ATOM 176 C ILE A 11 -4.391 2.141 15.982 1.00 0.00 C ATOM 177 O ILE A 11 -4.747 2.659 17.041 1.00 0.00 O ATOM 178 CB ILE A 11 -6.221 1.611 14.347 1.00 0.00 C ATOM 179 CG1 ILE A 11 -5.499 2.183 13.127 1.00 0.00 C ATOM 180 CG2 ILE A 11 -7.085 2.667 15.017 1.00 0.00 C ATOM 181 CD1 ILE A 11 -5.286 1.168 12.024 1.00 0.00 C ATOM 0 H ILE A 11 -6.119 0.735 17.209 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.535 0.373 14.791 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.877 0.809 14.008 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.074 3.021 12.733 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.532 2.578 13.438 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.795 3.068 14.294 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.628 2.218 15.849 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.452 3.472 15.389 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.769 1.641 11.189 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.685 0.341 12.402 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.251 0.790 11.686 1.00 0.00 H new ATOM 193 N TYR A 12 -3.257 2.458 15.367 1.00 0.00 N ATOM 194 CA TYR A 12 -2.341 3.455 15.909 1.00 0.00 C ATOM 195 C TYR A 12 -1.659 4.245 14.797 1.00 0.00 C ATOM 196 O TYR A 12 -0.538 3.929 14.398 1.00 0.00 O ATOM 197 CB TYR A 12 -1.286 2.736 16.766 1.00 0.00 C ATOM 198 CG TYR A 12 -1.252 1.242 16.502 1.00 0.00 C ATOM 199 CD1 TYR A 12 -2.320 0.437 16.874 1.00 0.00 C ATOM 200 CD2 TYR A 12 -0.188 0.651 15.834 1.00 0.00 C ATOM 201 CE1 TYR A 12 -2.336 -0.909 16.595 1.00 0.00 C ATOM 202 CE2 TYR A 12 -0.188 -0.705 15.558 1.00 0.00 C ATOM 203 CZ TYR A 12 -1.266 -1.481 15.939 1.00 0.00 C ATOM 204 OH TYR A 12 -1.275 -2.828 15.656 1.00 0.00 O ATOM 0 H TYR A 12 -2.949 2.038 14.490 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.906 4.163 16.516 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.303 3.161 16.562 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.496 2.912 17.821 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.157 0.878 17.394 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.651 1.258 15.526 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.181 -1.515 16.888 1.00 0.00 H new ATOM 0 HE2 TYR A 12 0.651 -1.155 15.047 1.00 0.00 H new ATOM 0 HH TYR A 12 -0.447 -3.070 15.190 1.00 0.00 H new ATOM 214 N GLY A 13 -2.337 5.274 14.298 1.00 0.00 N ATOM 215 CA GLY A 13 -1.772 6.085 13.240 1.00 0.00 C ATOM 216 C GLY A 13 -2.681 6.179 12.035 1.00 0.00 C ATOM 217 O GLY A 13 -2.958 5.177 11.377 1.00 0.00 O ATOM 0 H GLY A 13 -3.266 5.559 14.608 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.574 7.087 13.621 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.813 5.664 12.936 1.00 0.00 H new ATOM 221 N ILE A 14 -3.146 7.390 11.746 1.00 0.00 N ATOM 222 CA ILE A 14 -4.032 7.630 10.609 1.00 0.00 C ATOM 223 C ILE A 14 -3.544 6.897 9.361 1.00 0.00 C ATOM 224 O ILE A 14 -4.342 6.493 8.514 1.00 0.00 O ATOM 225 CB ILE A 14 -4.151 9.139 10.305 1.00 0.00 C ATOM 226 CG1 ILE A 14 -5.236 9.394 9.249 1.00 0.00 C ATOM 227 CG2 ILE A 14 -2.809 9.708 9.862 1.00 0.00 C ATOM 228 CD1 ILE A 14 -4.806 9.097 7.825 1.00 0.00 C ATOM 0 H ILE A 14 -2.923 8.226 12.286 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.014 7.244 10.882 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.445 9.652 11.221 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.108 8.785 9.487 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.549 10.436 9.311 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.916 10.772 9.653 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.074 9.566 10.654 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.475 9.193 8.961 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.632 9.304 7.145 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.954 9.725 7.564 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.522 8.048 7.742 1.00 0.00 H new ATOM 240 N GLU A 15 -2.229 6.725 9.257 1.00 0.00 N ATOM 241 CA GLU A 15 -1.638 6.036 8.115 1.00 0.00 C ATOM 242 C GLU A 15 -2.189 4.619 7.994 1.00 0.00 C ATOM 243 O GLU A 15 -2.306 4.081 6.894 1.00 0.00 O ATOM 244 CB GLU A 15 -0.114 5.998 8.246 1.00 0.00 C ATOM 245 CG GLU A 15 0.615 6.232 6.933 1.00 0.00 C ATOM 246 CD GLU A 15 1.038 7.676 6.750 1.00 0.00 C ATOM 247 OE1 GLU A 15 0.498 8.549 7.462 1.00 0.00 O ATOM 248 OE2 GLU A 15 1.910 7.935 5.893 1.00 0.00 O ATOM 0 H GLU A 15 -1.554 7.053 9.948 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.901 6.587 7.212 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.200 6.754 8.966 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.184 5.030 8.650 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.496 5.591 6.892 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.031 5.939 6.106 1.00 0.00 H new ATOM 255 N GLY A 16 -2.533 4.022 9.129 1.00 0.00 N ATOM 256 CA GLY A 16 -3.078 2.678 9.122 1.00 0.00 C ATOM 257 C GLY A 16 -4.497 2.648 8.592 1.00 0.00 C ATOM 258 O GLY A 16 -4.927 1.656 8.003 1.00 0.00 O ATOM 0 H GLY A 16 -2.444 4.444 10.053 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.448 2.034 8.509 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.059 2.273 10.134 1.00 0.00 H new ATOM 262 N ARG A 17 -5.222 3.743 8.795 1.00 0.00 N ATOM 263 CA ARG A 17 -6.597 3.848 8.327 1.00 0.00 C ATOM 264 C ARG A 17 -6.643 3.872 6.804 1.00 0.00 C ATOM 265 O ARG A 17 -7.630 3.458 6.197 1.00 0.00 O ATOM 266 CB ARG A 17 -7.260 5.104 8.892 1.00 0.00 C ATOM 267 CG ARG A 17 -7.787 4.931 10.307 1.00 0.00 C ATOM 268 CD ARG A 17 -9.054 5.740 10.532 1.00 0.00 C ATOM 269 NE ARG A 17 -9.460 5.742 11.936 1.00 0.00 N ATOM 270 CZ ARG A 17 -8.888 6.498 12.872 1.00 0.00 C ATOM 271 NH1 ARG A 17 -7.889 7.312 12.558 1.00 0.00 N ATOM 272 NH2 ARG A 17 -9.320 6.439 14.125 1.00 0.00 N ATOM 0 H ARG A 17 -4.878 4.571 9.282 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.145 2.974 8.679 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.540 5.922 8.879 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.084 5.395 8.240 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.989 3.876 10.495 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.024 5.241 11.021 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.893 6.766 10.200 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.859 5.330 9.922 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.226 5.129 12.215 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.555 7.362 11.596 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.455 7.888 13.279 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.089 5.815 14.371 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.883 7.017 14.843 1.00 0.00 H new ATOM 286 N TYR A 18 -5.562 4.350 6.187 1.00 0.00 N ATOM 287 CA TYR A 18 -5.479 4.412 4.732 1.00 0.00 C ATOM 288 C TYR A 18 -5.813 3.058 4.129 1.00 0.00 C ATOM 289 O TYR A 18 -6.609 2.955 3.196 1.00 0.00 O ATOM 290 CB TYR A 18 -4.072 4.830 4.297 1.00 0.00 C ATOM 291 CG TYR A 18 -3.940 6.294 3.954 1.00 0.00 C ATOM 292 CD1 TYR A 18 -4.427 7.277 4.808 1.00 0.00 C ATOM 293 CD2 TYR A 18 -3.321 6.694 2.779 1.00 0.00 C ATOM 294 CE1 TYR A 18 -4.300 8.617 4.497 1.00 0.00 C ATOM 295 CE2 TYR A 18 -3.189 8.029 2.460 1.00 0.00 C ATOM 296 CZ TYR A 18 -3.680 8.988 3.321 1.00 0.00 C ATOM 297 OH TYR A 18 -3.550 10.322 3.008 1.00 0.00 O ATOM 0 H TYR A 18 -4.735 4.698 6.672 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.198 5.151 4.378 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.371 4.591 5.096 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.781 4.237 3.430 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.912 6.989 5.729 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.935 5.946 2.102 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.683 9.370 5.170 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.704 8.322 1.541 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.090 10.413 2.148 1.00 0.00 H new ATOM 307 N ALA A 19 -5.198 2.020 4.680 1.00 0.00 N ATOM 308 CA ALA A 19 -5.423 0.664 4.212 1.00 0.00 C ATOM 309 C ALA A 19 -6.841 0.217 4.527 1.00 0.00 C ATOM 310 O ALA A 19 -7.491 -0.425 3.708 1.00 0.00 O ATOM 311 CB ALA A 19 -4.409 -0.283 4.835 1.00 0.00 C ATOM 0 H ALA A 19 -4.538 2.094 5.454 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.295 0.644 3.130 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.589 -1.296 4.476 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.402 0.027 4.556 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.508 -0.260 5.920 1.00 0.00 H new ATOM 317 N THR A 20 -7.322 0.566 5.714 1.00 0.00 N ATOM 318 CA THR A 20 -8.671 0.194 6.111 1.00 0.00 C ATOM 319 C THR A 20 -9.701 0.944 5.280 1.00 0.00 C ATOM 320 O THR A 20 -10.814 0.461 5.077 1.00 0.00 O ATOM 321 CB THR A 20 -8.899 0.449 7.600 1.00 0.00 C ATOM 322 OG1 THR A 20 -7.687 0.811 8.242 1.00 0.00 O ATOM 323 CG2 THR A 20 -9.458 -0.760 8.316 1.00 0.00 C ATOM 0 H THR A 20 -6.803 1.100 6.411 1.00 0.00 H new ATOM 0 HA THR A 20 -8.789 -0.874 5.930 1.00 0.00 H new ATOM 0 HB THR A 20 -9.623 1.262 7.655 1.00 0.00 H new ATOM 0 HG1 THR A 20 -7.862 1.002 9.187 1.00 0.00 H new ATOM 0 HG21 THR A 20 -9.601 -0.524 9.371 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.415 -1.035 7.873 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.762 -1.593 8.221 1.00 0.00 H new ATOM 331 N ALA A 21 -9.323 2.117 4.782 1.00 0.00 N ATOM 332 CA ALA A 21 -10.223 2.903 3.957 1.00 0.00 C ATOM 333 C ALA A 21 -10.081 2.526 2.487 1.00 0.00 C ATOM 334 O ALA A 21 -10.714 3.124 1.617 1.00 0.00 O ATOM 335 CB ALA A 21 -9.979 4.391 4.159 1.00 0.00 C ATOM 0 H ALA A 21 -8.407 2.538 4.935 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.245 2.681 4.265 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.664 4.961 3.531 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.146 4.648 5.205 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.952 4.632 3.886 1.00 0.00 H new ATOM 341 N LEU A 22 -9.268 1.508 2.223 1.00 0.00 N ATOM 342 CA LEU A 22 -9.067 1.022 0.865 1.00 0.00 C ATOM 343 C LEU A 22 -9.447 -0.436 0.817 1.00 0.00 C ATOM 344 O LEU A 22 -10.076 -0.902 -0.134 1.00 0.00 O ATOM 345 CB LEU A 22 -7.616 1.222 0.419 1.00 0.00 C ATOM 346 CG LEU A 22 -7.290 0.726 -0.993 1.00 0.00 C ATOM 347 CD1 LEU A 22 -7.084 -0.781 -0.994 1.00 0.00 C ATOM 348 CD2 LEU A 22 -8.391 1.116 -1.970 1.00 0.00 C ATOM 0 H LEU A 22 -8.738 1.004 2.934 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.696 1.589 0.178 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.379 2.284 0.477 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.962 0.711 1.126 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.364 1.201 -1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.853 -1.116 -2.005 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.258 -1.036 -0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.993 -1.273 -0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.138 0.754 -2.966 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.334 0.673 -1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.489 2.201 -1.993 1.00 0.00 H new ATOM 360 N TYR A 23 -9.101 -1.141 1.878 1.00 0.00 N ATOM 361 CA TYR A 23 -9.443 -2.528 1.992 1.00 0.00 C ATOM 362 C TYR A 23 -10.891 -2.646 2.466 1.00 0.00 C ATOM 363 O TYR A 23 -11.515 -3.690 2.305 1.00 0.00 O ATOM 364 CB TYR A 23 -8.476 -3.236 2.946 1.00 0.00 C ATOM 365 CG TYR A 23 -9.135 -3.851 4.153 1.00 0.00 C ATOM 366 CD1 TYR A 23 -9.924 -4.979 4.024 1.00 0.00 C ATOM 367 CD2 TYR A 23 -8.982 -3.295 5.410 1.00 0.00 C ATOM 368 CE1 TYR A 23 -10.540 -5.550 5.115 1.00 0.00 C ATOM 369 CE2 TYR A 23 -9.593 -3.848 6.509 1.00 0.00 C ATOM 370 CZ TYR A 23 -10.371 -4.979 6.362 1.00 0.00 C ATOM 371 OH TYR A 23 -10.982 -5.534 7.462 1.00 0.00 O ATOM 0 H TYR A 23 -8.581 -0.765 2.671 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.355 -3.015 1.021 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -7.949 -4.016 2.397 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.726 -2.520 3.282 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -10.060 -5.421 3.048 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.372 -2.412 5.530 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.149 -6.434 4.997 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.465 -3.400 7.483 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.741 -6.482 7.527 1.00 0.00 H new ATOM 381 N SER A 24 -11.441 -1.556 3.032 1.00 0.00 N ATOM 382 CA SER A 24 -12.828 -1.570 3.485 1.00 0.00 C ATOM 383 C SER A 24 -13.706 -2.114 2.368 1.00 0.00 C ATOM 384 O SER A 24 -14.641 -2.878 2.605 1.00 0.00 O ATOM 385 CB SER A 24 -13.285 -0.168 3.889 1.00 0.00 C ATOM 386 OG SER A 24 -12.713 0.818 3.048 1.00 0.00 O ATOM 0 H SER A 24 -10.950 -0.674 3.181 1.00 0.00 H new ATOM 0 HA SER A 24 -12.912 -2.210 4.363 1.00 0.00 H new ATOM 0 HB2 SER A 24 -14.372 -0.108 3.838 1.00 0.00 H new ATOM 0 HB3 SER A 24 -13.004 0.025 4.924 1.00 0.00 H new ATOM 0 HG SER A 24 -13.022 1.705 3.327 1.00 0.00 H new ATOM 392 N ALA A 25 -13.350 -1.749 1.139 1.00 0.00 N ATOM 393 CA ALA A 25 -14.053 -2.235 -0.034 1.00 0.00 C ATOM 394 C ALA A 25 -13.608 -3.661 -0.301 1.00 0.00 C ATOM 395 O ALA A 25 -14.408 -4.524 -0.661 1.00 0.00 O ATOM 396 CB ALA A 25 -13.775 -1.346 -1.236 1.00 0.00 C ATOM 0 H ALA A 25 -12.576 -1.117 0.935 1.00 0.00 H new ATOM 0 HA ALA A 25 -15.128 -2.212 0.143 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -14.312 -1.729 -2.104 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -14.108 -0.330 -1.022 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.705 -1.340 -1.445 1.00 0.00 H new ATOM 402 N ALA A 26 -12.316 -3.899 -0.088 1.00 0.00 N ATOM 403 CA ALA A 26 -11.739 -5.225 -0.270 1.00 0.00 C ATOM 404 C ALA A 26 -12.426 -6.241 0.639 1.00 0.00 C ATOM 405 O ALA A 26 -12.707 -7.366 0.230 1.00 0.00 O ATOM 406 CB ALA A 26 -10.246 -5.194 0.018 1.00 0.00 C ATOM 0 H ALA A 26 -11.649 -3.188 0.211 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.894 -5.526 -1.306 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.828 -6.191 -0.122 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.758 -4.497 -0.664 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.080 -4.872 1.046 1.00 0.00 H new ATOM 412 N SER A 27 -12.696 -5.830 1.878 1.00 0.00 N ATOM 413 CA SER A 27 -13.353 -6.694 2.851 1.00 0.00 C ATOM 414 C SER A 27 -14.669 -7.220 2.290 1.00 0.00 C ATOM 415 O SER A 27 -14.953 -8.416 2.359 1.00 0.00 O ATOM 416 CB SER A 27 -13.607 -5.930 4.154 1.00 0.00 C ATOM 417 OG SER A 27 -14.865 -5.277 4.131 1.00 0.00 O ATOM 0 H SER A 27 -12.468 -4.900 2.230 1.00 0.00 H new ATOM 0 HA SER A 27 -12.698 -7.539 3.060 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.569 -6.621 4.996 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.816 -5.196 4.308 1.00 0.00 H new ATOM 0 HG SER A 27 -14.795 -4.450 3.609 1.00 0.00 H new ATOM 423 N LYS A 28 -15.465 -6.316 1.720 1.00 0.00 N ATOM 424 CA LYS A 28 -16.745 -6.689 1.131 1.00 0.00 C ATOM 425 C LYS A 28 -16.552 -7.839 0.152 1.00 0.00 C ATOM 426 O LYS A 28 -17.400 -8.723 0.035 1.00 0.00 O ATOM 427 CB LYS A 28 -17.376 -5.491 0.417 1.00 0.00 C ATOM 428 CG LYS A 28 -18.853 -5.672 0.114 1.00 0.00 C ATOM 429 CD LYS A 28 -19.074 -6.160 -1.309 1.00 0.00 C ATOM 430 CE LYS A 28 -20.510 -6.608 -1.527 1.00 0.00 C ATOM 431 NZ LYS A 28 -20.992 -6.284 -2.898 1.00 0.00 N ATOM 0 H LYS A 28 -15.244 -5.322 1.655 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.415 -7.009 1.929 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -17.247 -4.602 1.034 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.842 -5.312 -0.516 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -19.285 -6.386 0.816 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -19.374 -4.726 0.260 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -18.830 -5.362 -2.010 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -18.397 -6.988 -1.520 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -20.584 -7.683 -1.361 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -21.156 -6.127 -0.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -21.975 -6.606 -3.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -20.946 -5.256 -3.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -20.392 -6.764 -3.599 1.00 0.00 H new ATOM 445 N GLN A 29 -15.414 -7.825 -0.533 1.00 0.00 N ATOM 446 CA GLN A 29 -15.083 -8.871 -1.487 1.00 0.00 C ATOM 447 C GLN A 29 -14.497 -10.070 -0.754 1.00 0.00 C ATOM 448 O GLN A 29 -14.834 -11.217 -1.052 1.00 0.00 O ATOM 449 CB GLN A 29 -14.089 -8.353 -2.528 1.00 0.00 C ATOM 450 CG GLN A 29 -14.747 -7.624 -3.688 1.00 0.00 C ATOM 451 CD GLN A 29 -13.956 -6.411 -4.138 1.00 0.00 C ATOM 452 OE1 GLN A 29 -12.733 -6.464 -4.262 1.00 0.00 O ATOM 453 NE2 GLN A 29 -14.655 -5.307 -4.384 1.00 0.00 N ATOM 0 H GLN A 29 -14.705 -7.097 -0.443 1.00 0.00 H new ATOM 0 HA GLN A 29 -15.993 -9.176 -2.003 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.383 -7.680 -2.041 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.513 -9.192 -2.917 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.860 -8.311 -4.527 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.749 -7.311 -3.394 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -15.668 -5.309 -4.268 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.178 -4.459 -4.689 1.00 0.00 H new ATOM 462 N ASN A 30 -13.612 -9.788 0.209 1.00 0.00 N ATOM 463 CA ASN A 30 -12.957 -10.825 1.008 1.00 0.00 C ATOM 464 C ASN A 30 -11.644 -11.230 0.365 1.00 0.00 C ATOM 465 O ASN A 30 -11.209 -12.376 0.475 1.00 0.00 O ATOM 466 CB ASN A 30 -13.858 -12.053 1.189 1.00 0.00 C ATOM 467 CG ASN A 30 -13.471 -12.880 2.399 1.00 0.00 C ATOM 468 OD1 ASN A 30 -12.368 -12.745 2.931 1.00 0.00 O ATOM 469 ND2 ASN A 30 -14.378 -13.743 2.840 1.00 0.00 N ATOM 0 H ASN A 30 -13.332 -8.838 0.454 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.761 -10.408 1.996 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.894 -11.729 1.290 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.804 -12.675 0.295 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -14.174 -14.328 3.651 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -15.279 -13.821 2.368 1.00 0.00 H new ATOM 476 N LYS A 31 -11.017 -10.274 -0.307 1.00 0.00 N ATOM 477 CA LYS A 31 -9.751 -10.517 -0.971 1.00 0.00 C ATOM 478 C LYS A 31 -8.596 -9.951 -0.159 1.00 0.00 C ATOM 479 O LYS A 31 -7.541 -9.638 -0.708 1.00 0.00 O ATOM 480 CB LYS A 31 -9.762 -9.912 -2.374 1.00 0.00 C ATOM 481 CG LYS A 31 -10.089 -10.917 -3.467 1.00 0.00 C ATOM 482 CD LYS A 31 -10.640 -10.232 -4.707 1.00 0.00 C ATOM 483 CE LYS A 31 -11.743 -11.054 -5.355 1.00 0.00 C ATOM 484 NZ LYS A 31 -12.989 -11.049 -4.540 1.00 0.00 N ATOM 0 H LYS A 31 -11.369 -9.322 -0.405 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.612 -11.595 -1.056 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.491 -9.103 -2.406 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.787 -9.470 -2.578 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.191 -11.477 -3.728 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.817 -11.638 -3.094 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.027 -9.249 -4.439 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.835 -10.073 -5.424 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.956 -10.657 -6.347 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.401 -12.080 -5.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -13.520 -11.927 -4.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -12.744 -10.984 -3.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -13.575 -10.232 -4.807 1.00 0.00 H new ATOM 498 N LEU A 32 -8.789 -9.828 1.157 1.00 0.00 N ATOM 499 CA LEU A 32 -7.747 -9.317 2.034 1.00 0.00 C ATOM 500 C LEU A 32 -6.412 -9.998 1.751 1.00 0.00 C ATOM 501 O LEU A 32 -5.357 -9.435 2.012 1.00 0.00 O ATOM 502 CB LEU A 32 -8.166 -9.520 3.485 1.00 0.00 C ATOM 503 CG LEU A 32 -9.109 -8.445 4.034 1.00 0.00 C ATOM 504 CD1 LEU A 32 -8.327 -7.448 4.876 1.00 0.00 C ATOM 505 CD2 LEU A 32 -9.844 -7.734 2.903 1.00 0.00 C ATOM 0 H LEU A 32 -9.657 -10.076 1.632 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.614 -8.251 1.847 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.652 -10.491 3.576 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.271 -9.551 4.107 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.855 -8.929 4.664 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.005 -6.687 5.262 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.853 -7.968 5.708 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.562 -6.974 4.261 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.507 -6.976 3.320 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.120 -7.259 2.241 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.431 -8.458 2.339 1.00 0.00 H new ATOM 517 N GLU A 33 -6.463 -11.204 1.194 1.00 0.00 N ATOM 518 CA GLU A 33 -5.247 -11.933 0.857 1.00 0.00 C ATOM 519 C GLU A 33 -4.582 -11.304 -0.366 1.00 0.00 C ATOM 520 O GLU A 33 -3.358 -11.307 -0.494 1.00 0.00 O ATOM 521 CB GLU A 33 -5.561 -13.406 0.588 1.00 0.00 C ATOM 522 CG GLU A 33 -5.486 -14.281 1.829 1.00 0.00 C ATOM 523 CD GLU A 33 -6.444 -15.454 1.773 1.00 0.00 C ATOM 524 OE1 GLU A 33 -7.662 -15.220 1.619 1.00 0.00 O ATOM 525 OE2 GLU A 33 -5.977 -16.608 1.881 1.00 0.00 O ATOM 0 H GLU A 33 -7.328 -11.694 0.968 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.561 -11.875 1.702 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.560 -13.483 0.159 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.863 -13.787 -0.158 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.468 -14.653 1.946 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.708 -13.677 2.709 1.00 0.00 H new ATOM 532 N GLN A 34 -5.406 -10.756 -1.256 1.00 0.00 N ATOM 533 CA GLN A 34 -4.920 -10.105 -2.469 1.00 0.00 C ATOM 534 C GLN A 34 -4.519 -8.660 -2.190 1.00 0.00 C ATOM 535 O GLN A 34 -3.792 -8.048 -2.971 1.00 0.00 O ATOM 536 CB GLN A 34 -5.993 -10.148 -3.559 1.00 0.00 C ATOM 537 CG GLN A 34 -5.558 -10.888 -4.816 1.00 0.00 C ATOM 538 CD GLN A 34 -4.250 -10.371 -5.391 1.00 0.00 C ATOM 539 OE1 GLN A 34 -4.043 -9.058 -5.326 1.00 0.00 O flip ATOM 540 NE2 GLN A 34 -3.433 -11.145 -5.890 1.00 0.00 N flip ATOM 0 H GLN A 34 -6.421 -10.751 -1.158 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.039 -10.646 -2.813 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.887 -10.625 -3.158 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.269 -9.128 -3.826 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -5.453 -11.949 -4.588 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.339 -10.800 -5.571 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.630 -12.145 -5.920 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.559 -10.786 -6.273 1.00 0.00 H new ATOM 549 N VAL A 35 -5.001 -8.117 -1.076 1.00 0.00 N ATOM 550 CA VAL A 35 -4.693 -6.740 -0.702 1.00 0.00 C ATOM 551 C VAL A 35 -3.688 -6.696 0.448 1.00 0.00 C ATOM 552 O VAL A 35 -2.859 -5.790 0.525 1.00 0.00 O ATOM 553 CB VAL A 35 -5.964 -5.968 -0.279 1.00 0.00 C ATOM 554 CG1 VAL A 35 -5.885 -4.524 -0.748 1.00 0.00 C ATOM 555 CG2 VAL A 35 -7.232 -6.642 -0.806 1.00 0.00 C ATOM 0 H VAL A 35 -5.605 -8.608 -0.417 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.263 -6.265 -1.584 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.017 -5.980 0.810 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.787 -3.993 -0.443 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.013 -4.044 -0.303 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.799 -4.498 -1.834 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.105 -6.072 -0.489 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.198 -6.680 -1.895 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.297 -7.655 -0.410 1.00 0.00 H new ATOM 565 N GLU A 36 -3.762 -7.685 1.332 1.00 0.00 N ATOM 566 CA GLU A 36 -2.851 -7.765 2.471 1.00 0.00 C ATOM 567 C GLU A 36 -1.487 -8.216 1.993 1.00 0.00 C ATOM 568 O GLU A 36 -0.474 -7.573 2.271 1.00 0.00 O ATOM 569 CB GLU A 36 -3.379 -8.732 3.534 1.00 0.00 C ATOM 570 CG GLU A 36 -2.556 -8.738 4.812 1.00 0.00 C ATOM 571 CD GLU A 36 -1.582 -9.898 4.872 1.00 0.00 C ATOM 572 OE1 GLU A 36 -0.976 -10.219 3.828 1.00 0.00 O ATOM 573 OE2 GLU A 36 -1.425 -10.485 5.963 1.00 0.00 O ATOM 0 H GLU A 36 -4.443 -8.443 1.283 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.775 -6.777 2.924 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.408 -8.467 3.776 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.398 -9.740 3.119 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.005 -7.801 4.889 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.226 -8.786 5.671 1.00 0.00 H new ATOM 580 N LYS A 37 -1.470 -9.303 1.230 1.00 0.00 N ATOM 581 CA LYS A 37 -0.228 -9.805 0.670 1.00 0.00 C ATOM 582 C LYS A 37 0.346 -8.733 -0.237 1.00 0.00 C ATOM 583 O LYS A 37 1.561 -8.596 -0.380 1.00 0.00 O ATOM 584 CB LYS A 37 -0.465 -11.099 -0.111 1.00 0.00 C ATOM 585 CG LYS A 37 0.812 -11.859 -0.431 1.00 0.00 C ATOM 586 CD LYS A 37 0.643 -12.739 -1.658 1.00 0.00 C ATOM 587 CE LYS A 37 1.632 -13.894 -1.656 1.00 0.00 C ATOM 588 NZ LYS A 37 3.041 -13.420 -1.746 1.00 0.00 N ATOM 0 H LYS A 37 -2.298 -9.848 0.988 1.00 0.00 H new ATOM 0 HA LYS A 37 0.473 -10.034 1.472 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.128 -11.745 0.465 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.980 -10.863 -1.042 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.625 -11.153 -0.598 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.094 -12.474 0.423 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.374 -13.130 -1.690 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.783 -12.141 -2.558 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.504 -14.480 -0.746 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.418 -14.557 -2.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 3.648 -14.197 -2.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.098 -12.626 -2.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.362 -13.106 -0.808 1.00 0.00 H new ATOM 602 N GLU A 38 -0.557 -7.950 -0.827 1.00 0.00 N ATOM 603 CA GLU A 38 -0.177 -6.858 -1.693 1.00 0.00 C ATOM 604 C GLU A 38 0.018 -5.577 -0.878 1.00 0.00 C ATOM 605 O GLU A 38 0.118 -4.482 -1.428 1.00 0.00 O ATOM 606 CB GLU A 38 -1.253 -6.660 -2.754 1.00 0.00 C ATOM 607 CG GLU A 38 -1.225 -7.701 -3.864 1.00 0.00 C ATOM 608 CD GLU A 38 -1.094 -9.120 -3.343 1.00 0.00 C ATOM 609 OE1 GLU A 38 -0.003 -9.473 -2.849 1.00 0.00 O ATOM 610 OE2 GLU A 38 -2.083 -9.878 -3.431 1.00 0.00 O ATOM 0 H GLU A 38 -1.564 -8.062 -0.713 1.00 0.00 H new ATOM 0 HA GLU A 38 0.768 -7.095 -2.182 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.231 -6.682 -2.274 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.137 -5.670 -3.195 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.138 -7.619 -4.454 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.392 -7.487 -4.534 1.00 0.00 H new ATOM 617 N LEU A 39 0.087 -5.725 0.441 1.00 0.00 N ATOM 618 CA LEU A 39 0.294 -4.594 1.330 1.00 0.00 C ATOM 619 C LEU A 39 1.689 -4.675 1.935 1.00 0.00 C ATOM 620 O LEU A 39 2.336 -3.657 2.174 1.00 0.00 O ATOM 621 CB LEU A 39 -0.769 -4.571 2.432 1.00 0.00 C ATOM 622 CG LEU A 39 -1.564 -3.266 2.534 1.00 0.00 C ATOM 623 CD1 LEU A 39 -2.935 -3.424 1.893 1.00 0.00 C ATOM 624 CD2 LEU A 39 -1.700 -2.835 3.987 1.00 0.00 C ATOM 0 H LEU A 39 0.002 -6.623 0.917 1.00 0.00 H new ATOM 0 HA LEU A 39 0.204 -3.670 0.758 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.466 -5.392 2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.283 -4.759 3.389 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.020 -2.490 1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.485 -2.487 1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.817 -3.685 0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.486 -4.214 2.403 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.268 -1.906 4.039 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.220 -3.610 4.549 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.710 -2.679 4.415 1.00 0.00 H new ATOM 636 N LEU A 40 2.151 -5.903 2.160 1.00 0.00 N ATOM 637 CA LEU A 40 3.476 -6.129 2.715 1.00 0.00 C ATOM 638 C LEU A 40 4.544 -5.811 1.674 1.00 0.00 C ATOM 639 O LEU A 40 5.657 -5.412 2.015 1.00 0.00 O ATOM 640 CB LEU A 40 3.618 -7.578 3.186 1.00 0.00 C ATOM 641 CG LEU A 40 4.507 -7.775 4.414 1.00 0.00 C ATOM 642 CD1 LEU A 40 3.712 -7.548 5.691 1.00 0.00 C ATOM 643 CD2 LEU A 40 5.122 -9.167 4.408 1.00 0.00 C ATOM 0 H LEU A 40 1.624 -6.755 1.965 1.00 0.00 H new ATOM 0 HA LEU A 40 3.610 -5.469 3.572 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.626 -7.971 3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.020 -8.173 2.366 1.00 0.00 H new ATOM 0 HG LEU A 40 5.313 -7.042 4.377 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.361 -7.693 6.554 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.319 -6.531 5.699 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.885 -8.257 5.736 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.752 -9.290 5.289 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.329 -9.915 4.421 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.726 -9.294 3.510 1.00 0.00 H new ATOM 655 N ARG A 41 4.193 -5.982 0.400 1.00 0.00 N ATOM 656 CA ARG A 41 5.123 -5.702 -0.686 1.00 0.00 C ATOM 657 C ARG A 41 5.461 -4.217 -0.726 1.00 0.00 C ATOM 658 O ARG A 41 6.604 -3.836 -0.978 1.00 0.00 O ATOM 659 CB ARG A 41 4.526 -6.142 -2.025 1.00 0.00 C ATOM 660 CG ARG A 41 4.965 -7.531 -2.460 1.00 0.00 C ATOM 661 CD ARG A 41 4.656 -8.572 -1.398 1.00 0.00 C ATOM 662 NE ARG A 41 5.832 -8.903 -0.596 1.00 0.00 N ATOM 663 CZ ARG A 41 6.917 -9.501 -1.084 1.00 0.00 C ATOM 664 NH1 ARG A 41 6.979 -9.834 -2.367 1.00 0.00 N ATOM 665 NH2 ARG A 41 7.942 -9.765 -0.286 1.00 0.00 N ATOM 0 H ARG A 41 3.276 -6.311 0.099 1.00 0.00 H new ATOM 0 HA ARG A 41 6.040 -6.265 -0.509 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.439 -6.120 -1.953 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.810 -5.423 -2.794 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.462 -7.798 -3.389 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.035 -7.527 -2.666 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.865 -8.201 -0.746 1.00 0.00 H new ATOM 0 HD3 ARG A 41 4.277 -9.476 -1.876 1.00 0.00 H new ATOM 0 HE ARG A 41 5.821 -8.662 0.395 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.193 -9.632 -2.985 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.813 -10.292 -2.735 1.00 0.00 H new ATOM 0 HH21 ARG A 41 7.899 -9.510 0.701 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.774 -10.223 -0.659 1.00 0.00 H new ATOM 679 N VAL A 42 4.459 -3.383 -0.467 1.00 0.00 N ATOM 680 CA VAL A 42 4.650 -1.940 -0.463 1.00 0.00 C ATOM 681 C VAL A 42 5.550 -1.516 0.693 1.00 0.00 C ATOM 682 O VAL A 42 6.249 -0.507 0.612 1.00 0.00 O ATOM 683 CB VAL A 42 3.302 -1.199 -0.360 1.00 0.00 C ATOM 684 CG1 VAL A 42 3.499 0.302 -0.511 1.00 0.00 C ATOM 685 CG2 VAL A 42 2.327 -1.721 -1.404 1.00 0.00 C ATOM 0 H VAL A 42 3.507 -3.683 -0.257 1.00 0.00 H new ATOM 0 HA VAL A 42 5.127 -1.673 -1.406 1.00 0.00 H new ATOM 0 HB VAL A 42 2.882 -1.388 0.628 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.535 0.805 -0.435 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.160 0.663 0.277 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.944 0.515 -1.483 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.381 -1.187 -1.317 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.742 -1.565 -2.400 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.159 -2.786 -1.244 1.00 0.00 H new ATOM 695 N GLY A 43 5.535 -2.303 1.764 1.00 0.00 N ATOM 696 CA GLY A 43 6.359 -2.001 2.917 1.00 0.00 C ATOM 697 C GLY A 43 7.831 -2.227 2.640 1.00 0.00 C ATOM 698 O GLY A 43 8.671 -1.394 2.982 1.00 0.00 O ATOM 0 H GLY A 43 4.966 -3.145 1.853 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.201 -0.964 3.213 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.049 -2.623 3.757 1.00 0.00 H new ATOM 702 N GLN A 44 8.145 -3.356 2.011 1.00 0.00 N ATOM 703 CA GLN A 44 9.525 -3.685 1.678 1.00 0.00 C ATOM 704 C GLN A 44 10.111 -2.637 0.739 1.00 0.00 C ATOM 705 O GLN A 44 11.304 -2.339 0.788 1.00 0.00 O ATOM 706 CB GLN A 44 9.602 -5.070 1.033 1.00 0.00 C ATOM 707 CG GLN A 44 10.808 -5.882 1.474 1.00 0.00 C ATOM 708 CD GLN A 44 11.498 -6.579 0.318 1.00 0.00 C ATOM 709 OE1 GLN A 44 12.241 -5.957 -0.443 1.00 0.00 O ATOM 710 NE2 GLN A 44 11.255 -7.877 0.180 1.00 0.00 N ATOM 0 H GLN A 44 7.462 -4.057 1.722 1.00 0.00 H new ATOM 0 HA GLN A 44 10.108 -3.694 2.599 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.694 -5.624 1.273 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.628 -4.956 -0.051 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.520 -5.225 1.974 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.492 -6.626 2.205 1.00 0.00 H new ATOM 0 HE21 GLN A 44 10.633 -8.352 0.834 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.691 -8.399 -0.580 1.00 0.00 H new ATOM 719 N ILE A 45 9.257 -2.077 -0.111 1.00 0.00 N ATOM 720 CA ILE A 45 9.677 -1.055 -1.060 1.00 0.00 C ATOM 721 C ILE A 45 10.172 0.188 -0.330 1.00 0.00 C ATOM 722 O ILE A 45 11.122 0.838 -0.765 1.00 0.00 O ATOM 723 CB ILE A 45 8.519 -0.676 -2.011 1.00 0.00 C ATOM 724 CG1 ILE A 45 8.080 -1.900 -2.817 1.00 0.00 C ATOM 725 CG2 ILE A 45 8.925 0.459 -2.945 1.00 0.00 C ATOM 726 CD1 ILE A 45 6.659 -1.809 -3.329 1.00 0.00 C ATOM 0 H ILE A 45 8.267 -2.315 -0.161 1.00 0.00 H new ATOM 0 HA ILE A 45 10.495 -1.467 -1.651 1.00 0.00 H new ATOM 0 HB ILE A 45 7.680 -0.329 -1.408 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.755 -2.029 -3.663 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.177 -2.789 -2.194 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.091 0.705 -3.603 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.194 1.336 -2.356 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.781 0.148 -3.545 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.416 -2.711 -3.891 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.974 -1.711 -2.487 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.561 -0.939 -3.979 1.00 0.00 H new ATOM 738 N LEU A 46 9.527 0.511 0.783 1.00 0.00 N ATOM 739 CA LEU A 46 9.911 1.674 1.569 1.00 0.00 C ATOM 740 C LEU A 46 11.197 1.403 2.339 1.00 0.00 C ATOM 741 O LEU A 46 12.103 2.236 2.369 1.00 0.00 O ATOM 742 CB LEU A 46 8.790 2.055 2.537 1.00 0.00 C ATOM 743 CG LEU A 46 8.445 3.543 2.560 1.00 0.00 C ATOM 744 CD1 LEU A 46 9.647 4.361 3.006 1.00 0.00 C ATOM 745 CD2 LEU A 46 7.965 3.996 1.190 1.00 0.00 C ATOM 0 H LEU A 46 8.738 -0.014 1.160 1.00 0.00 H new ATOM 0 HA LEU A 46 10.085 2.505 0.886 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.894 1.492 2.274 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.076 1.747 3.543 1.00 0.00 H new ATOM 0 HG LEU A 46 7.639 3.702 3.276 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.384 5.419 3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.946 4.051 4.007 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.474 4.200 2.314 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.723 5.058 1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.751 3.825 0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.077 3.430 0.910 1.00 0.00 H new ATOM 757 N LYS A 47 11.272 0.229 2.953 1.00 0.00 N ATOM 758 CA LYS A 47 12.449 -0.159 3.716 1.00 0.00 C ATOM 759 C LYS A 47 13.609 -0.492 2.784 1.00 0.00 C ATOM 760 O LYS A 47 14.773 -0.426 3.180 1.00 0.00 O ATOM 761 CB LYS A 47 12.132 -1.364 4.606 1.00 0.00 C ATOM 762 CG LYS A 47 12.845 -1.332 5.948 1.00 0.00 C ATOM 763 CD LYS A 47 14.125 -2.152 5.917 1.00 0.00 C ATOM 764 CE LYS A 47 13.904 -3.551 6.470 1.00 0.00 C ATOM 765 NZ LYS A 47 15.075 -4.030 7.254 1.00 0.00 N ATOM 0 H LYS A 47 10.530 -0.471 2.937 1.00 0.00 H new ATOM 0 HA LYS A 47 12.739 0.681 4.347 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.056 -1.407 4.776 1.00 0.00 H new ATOM 0 HB3 LYS A 47 12.408 -2.277 4.079 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.078 -0.301 6.213 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.183 -1.718 6.723 1.00 0.00 H new ATOM 0 HD2 LYS A 47 14.491 -2.218 4.892 1.00 0.00 H new ATOM 0 HD3 LYS A 47 14.896 -1.647 6.499 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.017 -3.555 7.104 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.711 -4.240 5.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.884 -4.987 7.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 15.917 -4.051 6.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 15.244 -3.387 8.054 1.00 0.00 H new ATOM 779 N GLU A 48 13.284 -0.848 1.543 1.00 0.00 N ATOM 780 CA GLU A 48 14.301 -1.188 0.557 1.00 0.00 C ATOM 781 C GLU A 48 15.262 -0.019 0.342 1.00 0.00 C ATOM 782 O GLU A 48 14.884 1.005 -0.228 1.00 0.00 O ATOM 783 CB GLU A 48 13.644 -1.572 -0.770 1.00 0.00 C ATOM 784 CG GLU A 48 13.350 -3.058 -0.895 1.00 0.00 C ATOM 785 CD GLU A 48 14.517 -3.836 -1.471 1.00 0.00 C ATOM 786 OE1 GLU A 48 15.644 -3.684 -0.955 1.00 0.00 O ATOM 787 OE2 GLU A 48 14.303 -4.600 -2.435 1.00 0.00 O ATOM 0 H GLU A 48 12.326 -0.908 1.199 1.00 0.00 H new ATOM 0 HA GLU A 48 14.869 -2.039 0.934 1.00 0.00 H new ATOM 0 HB2 GLU A 48 12.713 -1.015 -0.880 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.295 -1.269 -1.590 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.100 -3.459 0.087 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.475 -3.200 -1.529 1.00 0.00 H new ATOM 794 N PRO A 49 16.523 -0.152 0.793 1.00 0.00 N ATOM 795 CA PRO A 49 17.529 0.904 0.641 1.00 0.00 C ATOM 796 C PRO A 49 17.655 1.384 -0.801 1.00 0.00 C ATOM 797 O PRO A 49 18.091 2.507 -1.056 1.00 0.00 O ATOM 798 CB PRO A 49 18.826 0.231 1.095 1.00 0.00 C ATOM 799 CG PRO A 49 18.388 -0.854 2.016 1.00 0.00 C ATOM 800 CD PRO A 49 17.068 -1.337 1.485 1.00 0.00 C ATOM 0 HA PRO A 49 17.272 1.794 1.215 1.00 0.00 H new ATOM 0 HB2 PRO A 49 19.382 -0.170 0.247 1.00 0.00 H new ATOM 0 HB3 PRO A 49 19.483 0.938 1.601 1.00 0.00 H new ATOM 0 HG2 PRO A 49 19.118 -1.663 2.042 1.00 0.00 H new ATOM 0 HG3 PRO A 49 18.287 -0.483 3.036 1.00 0.00 H new ATOM 0 HD2 PRO A 49 17.193 -2.178 0.803 1.00 0.00 H new ATOM 0 HD3 PRO A 49 16.410 -1.672 2.287 1.00 0.00 H new ATOM 808 N LYS A 50 17.273 0.526 -1.742 1.00 0.00 N ATOM 809 CA LYS A 50 17.345 0.863 -3.159 1.00 0.00 C ATOM 810 C LYS A 50 16.191 1.773 -3.567 1.00 0.00 C ATOM 811 O LYS A 50 16.323 2.586 -4.481 1.00 0.00 O ATOM 812 CB LYS A 50 17.330 -0.410 -4.007 1.00 0.00 C ATOM 813 CG LYS A 50 18.700 -1.045 -4.176 1.00 0.00 C ATOM 814 CD LYS A 50 19.320 -1.397 -2.834 1.00 0.00 C ATOM 815 CE LYS A 50 20.619 -2.166 -3.004 1.00 0.00 C ATOM 816 NZ LYS A 50 21.698 -1.315 -3.577 1.00 0.00 N ATOM 0 H LYS A 50 16.911 -0.408 -1.549 1.00 0.00 H new ATOM 0 HA LYS A 50 18.279 1.397 -3.331 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.657 -1.134 -3.548 1.00 0.00 H new ATOM 0 HB3 LYS A 50 16.923 -0.176 -4.991 1.00 0.00 H new ATOM 0 HG2 LYS A 50 18.612 -1.945 -4.785 1.00 0.00 H new ATOM 0 HG3 LYS A 50 19.356 -0.360 -4.713 1.00 0.00 H new ATOM 0 HD2 LYS A 50 19.508 -0.484 -2.269 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.617 -1.993 -2.253 1.00 0.00 H new ATOM 0 HE2 LYS A 50 20.939 -2.556 -2.038 1.00 0.00 H new ATOM 0 HE3 LYS A 50 20.450 -3.024 -3.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 22.572 -1.872 -3.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 21.411 -0.977 -4.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 21.866 -0.500 -2.953 1.00 0.00 H new ATOM 830 N MET A 51 15.056 1.630 -2.886 1.00 0.00 N ATOM 831 CA MET A 51 13.882 2.441 -3.187 1.00 0.00 C ATOM 832 C MET A 51 13.815 3.672 -2.286 1.00 0.00 C ATOM 833 O MET A 51 13.227 4.688 -2.655 1.00 0.00 O ATOM 834 CB MET A 51 12.607 1.609 -3.036 1.00 0.00 C ATOM 835 CG MET A 51 11.904 1.346 -4.357 1.00 0.00 C ATOM 836 SD MET A 51 12.314 -0.266 -5.054 1.00 0.00 S ATOM 837 CE MET A 51 11.622 -1.354 -3.812 1.00 0.00 C ATOM 0 H MET A 51 14.926 0.963 -2.126 1.00 0.00 H new ATOM 0 HA MET A 51 13.965 2.780 -4.220 1.00 0.00 H new ATOM 0 HB2 MET A 51 12.856 0.656 -2.568 1.00 0.00 H new ATOM 0 HB3 MET A 51 11.922 2.125 -2.364 1.00 0.00 H new ATOM 0 HG2 MET A 51 10.826 1.410 -4.209 1.00 0.00 H new ATOM 0 HG3 MET A 51 12.175 2.125 -5.070 1.00 0.00 H new ATOM 0 HE1 MET A 51 12.342 -2.136 -3.571 1.00 0.00 H new ATOM 0 HE2 MET A 51 11.393 -0.781 -2.913 1.00 0.00 H new ATOM 0 HE3 MET A 51 10.708 -1.808 -4.195 1.00 0.00 H new ATOM 847 N ALA A 52 14.419 3.576 -1.106 1.00 0.00 N ATOM 848 CA ALA A 52 14.425 4.685 -0.159 1.00 0.00 C ATOM 849 C ALA A 52 14.997 5.949 -0.793 1.00 0.00 C ATOM 850 O ALA A 52 14.621 7.062 -0.428 1.00 0.00 O ATOM 851 CB ALA A 52 15.215 4.313 1.086 1.00 0.00 C ATOM 0 H ALA A 52 14.910 2.742 -0.783 1.00 0.00 H new ATOM 0 HA ALA A 52 13.393 4.889 0.126 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.211 5.151 1.783 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.759 3.444 1.560 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.242 4.078 0.808 1.00 0.00 H new ATOM 857 N ALA A 53 15.906 5.767 -1.746 1.00 0.00 N ATOM 858 CA ALA A 53 16.526 6.893 -2.432 1.00 0.00 C ATOM 859 C ALA A 53 15.572 7.509 -3.450 1.00 0.00 C ATOM 860 O ALA A 53 15.642 8.703 -3.739 1.00 0.00 O ATOM 861 CB ALA A 53 17.814 6.452 -3.112 1.00 0.00 C ATOM 0 H ALA A 53 16.229 4.852 -2.060 1.00 0.00 H new ATOM 0 HA ALA A 53 16.763 7.654 -1.688 1.00 0.00 H new ATOM 0 HB1 ALA A 53 18.267 7.303 -3.621 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.507 6.066 -2.364 1.00 0.00 H new ATOM 0 HB3 ALA A 53 17.593 5.671 -3.839 1.00 0.00 H new ATOM 867 N SER A 54 14.679 6.685 -3.990 1.00 0.00 N ATOM 868 CA SER A 54 13.710 7.147 -4.977 1.00 0.00 C ATOM 869 C SER A 54 12.475 7.729 -4.297 1.00 0.00 C ATOM 870 O SER A 54 11.954 8.763 -4.713 1.00 0.00 O ATOM 871 CB SER A 54 13.304 5.999 -5.902 1.00 0.00 C ATOM 872 OG SER A 54 13.166 6.445 -7.240 1.00 0.00 O ATOM 0 H SER A 54 14.607 5.694 -3.760 1.00 0.00 H new ATOM 0 HA SER A 54 14.180 7.932 -5.569 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.052 5.208 -5.855 1.00 0.00 H new ATOM 0 HB3 SER A 54 12.363 5.568 -5.560 1.00 0.00 H new ATOM 0 HG SER A 54 12.908 5.692 -7.811 1.00 0.00 H new ATOM 878 N LEU A 55 12.013 7.057 -3.247 1.00 0.00 N ATOM 879 CA LEU A 55 10.840 7.512 -2.510 1.00 0.00 C ATOM 880 C LEU A 55 11.075 8.899 -1.920 1.00 0.00 C ATOM 881 O LEU A 55 10.135 9.673 -1.736 1.00 0.00 O ATOM 882 CB LEU A 55 10.495 6.520 -1.400 1.00 0.00 C ATOM 883 CG LEU A 55 10.222 5.092 -1.873 1.00 0.00 C ATOM 884 CD1 LEU A 55 10.756 4.084 -0.868 1.00 0.00 C ATOM 885 CD2 LEU A 55 8.733 4.882 -2.103 1.00 0.00 C ATOM 0 H LEU A 55 12.431 6.199 -2.889 1.00 0.00 H new ATOM 0 HA LEU A 55 10.002 7.571 -3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.316 6.499 -0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.617 6.885 -0.867 1.00 0.00 H new ATOM 0 HG LEU A 55 10.741 4.938 -2.819 1.00 0.00 H new ATOM 0 HD11 LEU A 55 10.552 3.074 -1.223 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.832 4.218 -0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.268 4.236 0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.557 3.860 -2.439 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.193 5.056 -1.172 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.380 5.580 -2.863 1.00 0.00 H new ATOM 897 N LEU A 56 12.335 9.207 -1.630 1.00 0.00 N ATOM 898 CA LEU A 56 12.694 10.503 -1.066 1.00 0.00 C ATOM 899 C LEU A 56 13.437 11.356 -2.089 1.00 0.00 C ATOM 900 O LEU A 56 14.209 12.244 -1.729 1.00 0.00 O ATOM 901 CB LEU A 56 13.554 10.319 0.186 1.00 0.00 C ATOM 902 CG LEU A 56 13.295 11.330 1.305 1.00 0.00 C ATOM 903 CD1 LEU A 56 13.516 12.749 0.803 1.00 0.00 C ATOM 904 CD2 LEU A 56 11.884 11.168 1.851 1.00 0.00 C ATOM 0 H LEU A 56 13.124 8.577 -1.776 1.00 0.00 H new ATOM 0 HA LEU A 56 11.774 11.018 -0.792 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.388 9.316 0.578 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.604 10.379 -0.101 1.00 0.00 H new ATOM 0 HG LEU A 56 14.000 11.139 2.114 1.00 0.00 H new ATOM 0 HD11 LEU A 56 13.327 13.455 1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 56 14.545 12.857 0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 56 12.834 12.953 -0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.716 11.894 2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.163 11.333 1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.761 10.160 2.248 1.00 0.00 H new ATOM 916 N ASN A 57 13.203 11.083 -3.369 1.00 0.00 N ATOM 917 CA ASN A 57 13.854 11.831 -4.434 1.00 0.00 C ATOM 918 C ASN A 57 12.831 12.639 -5.232 1.00 0.00 C ATOM 919 O ASN A 57 11.907 12.074 -5.817 1.00 0.00 O ATOM 920 CB ASN A 57 14.607 10.877 -5.365 1.00 0.00 C ATOM 921 CG ASN A 57 16.110 10.978 -5.202 1.00 0.00 C ATOM 922 OD1 ASN A 57 16.618 11.110 -4.088 1.00 0.00 O ATOM 923 ND2 ASN A 57 16.832 10.917 -6.315 1.00 0.00 N ATOM 0 H ASN A 57 12.569 10.352 -3.691 1.00 0.00 H new ATOM 0 HA ASN A 57 14.564 12.523 -3.981 1.00 0.00 H new ATOM 0 HB2 ASN A 57 14.291 9.853 -5.165 1.00 0.00 H new ATOM 0 HB3 ASN A 57 14.341 11.097 -6.399 1.00 0.00 H new ATOM 0 HD21 ASN A 57 17.849 10.980 -6.267 1.00 0.00 H new ATOM 0 HD22 ASN A 57 16.370 10.807 -7.217 1.00 0.00 H new ATOM 930 N PRO A 58 12.985 13.976 -5.276 1.00 0.00 N ATOM 931 CA PRO A 58 12.069 14.847 -6.021 1.00 0.00 C ATOM 932 C PRO A 58 12.253 14.722 -7.533 1.00 0.00 C ATOM 933 O PRO A 58 11.562 15.381 -8.310 1.00 0.00 O ATOM 934 CB PRO A 58 12.455 16.249 -5.549 1.00 0.00 C ATOM 935 CG PRO A 58 13.887 16.134 -5.163 1.00 0.00 C ATOM 936 CD PRO A 58 14.062 14.742 -4.619 1.00 0.00 C ATOM 0 HA PRO A 58 11.024 14.594 -5.840 1.00 0.00 H new ATOM 0 HB2 PRO A 58 12.316 16.986 -6.340 1.00 0.00 H new ATOM 0 HB3 PRO A 58 11.841 16.566 -4.706 1.00 0.00 H new ATOM 0 HG2 PRO A 58 14.537 16.301 -6.022 1.00 0.00 H new ATOM 0 HG3 PRO A 58 14.150 16.881 -4.414 1.00 0.00 H new ATOM 0 HD2 PRO A 58 15.046 14.338 -4.859 1.00 0.00 H new ATOM 0 HD3 PRO A 58 13.965 14.720 -3.534 1.00 0.00 H new ATOM 944 N TYR A 59 13.192 13.872 -7.939 1.00 0.00 N ATOM 945 CA TYR A 59 13.479 13.651 -9.348 1.00 0.00 C ATOM 946 C TYR A 59 12.472 12.684 -9.963 1.00 0.00 C ATOM 947 O TYR A 59 12.128 12.795 -11.140 1.00 0.00 O ATOM 948 CB TYR A 59 14.897 13.101 -9.502 1.00 0.00 C ATOM 949 CG TYR A 59 15.939 13.899 -8.750 1.00 0.00 C ATOM 950 CD1 TYR A 59 16.135 13.716 -7.385 1.00 0.00 C ATOM 951 CD2 TYR A 59 16.727 14.838 -9.404 1.00 0.00 C ATOM 952 CE1 TYR A 59 17.082 14.446 -6.696 1.00 0.00 C ATOM 953 CE2 TYR A 59 17.677 15.572 -8.721 1.00 0.00 C ATOM 954 CZ TYR A 59 17.852 15.373 -7.368 1.00 0.00 C ATOM 955 OH TYR A 59 18.797 16.102 -6.685 1.00 0.00 O ATOM 0 H TYR A 59 13.770 13.322 -7.304 1.00 0.00 H new ATOM 0 HA TYR A 59 13.400 14.603 -9.873 1.00 0.00 H new ATOM 0 HB2 TYR A 59 14.918 12.069 -9.151 1.00 0.00 H new ATOM 0 HB3 TYR A 59 15.158 13.083 -10.560 1.00 0.00 H new ATOM 0 HD1 TYR A 59 15.536 12.990 -6.855 1.00 0.00 H new ATOM 0 HD2 TYR A 59 16.595 14.997 -10.464 1.00 0.00 H new ATOM 0 HE1 TYR A 59 17.220 14.292 -5.636 1.00 0.00 H new ATOM 0 HE2 TYR A 59 18.280 16.299 -9.245 1.00 0.00 H new ATOM 0 HH TYR A 59 19.253 16.709 -7.305 1.00 0.00 H new ATOM 965 N VAL A 60 12.003 11.737 -9.157 1.00 0.00 N ATOM 966 CA VAL A 60 11.036 10.749 -9.617 1.00 0.00 C ATOM 967 C VAL A 60 9.754 11.414 -10.114 1.00 0.00 C ATOM 968 O VAL A 60 8.990 10.816 -10.871 1.00 0.00 O ATOM 969 CB VAL A 60 10.681 9.750 -8.499 1.00 0.00 C ATOM 970 CG1 VAL A 60 11.905 8.940 -8.098 1.00 0.00 C ATOM 971 CG2 VAL A 60 10.096 10.478 -7.296 1.00 0.00 C ATOM 0 H VAL A 60 12.278 11.634 -8.180 1.00 0.00 H new ATOM 0 HA VAL A 60 11.504 10.213 -10.442 1.00 0.00 H new ATOM 0 HB VAL A 60 9.927 9.061 -8.879 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.635 8.240 -7.307 1.00 0.00 H new ATOM 0 HG12 VAL A 60 12.274 8.387 -8.962 1.00 0.00 H new ATOM 0 HG13 VAL A 60 12.684 9.612 -7.737 1.00 0.00 H new ATOM 0 HG21 VAL A 60 9.852 9.756 -6.517 1.00 0.00 H new ATOM 0 HG22 VAL A 60 10.825 11.192 -6.913 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.192 11.008 -7.596 1.00 0.00 H new ATOM 981 N LYS A 61 9.524 12.651 -9.683 1.00 0.00 N ATOM 982 CA LYS A 61 8.332 13.391 -10.086 1.00 0.00 C ATOM 983 C LYS A 61 7.068 12.708 -9.576 1.00 0.00 C ATOM 984 O LYS A 61 7.106 11.557 -9.141 1.00 0.00 O ATOM 985 CB LYS A 61 8.277 13.525 -11.611 1.00 0.00 C ATOM 986 CG LYS A 61 8.865 14.827 -12.128 1.00 0.00 C ATOM 987 CD LYS A 61 10.382 14.757 -12.215 1.00 0.00 C ATOM 988 CE LYS A 61 10.967 16.044 -12.773 1.00 0.00 C ATOM 989 NZ LYS A 61 10.648 16.220 -14.217 1.00 0.00 N ATOM 0 H LYS A 61 10.146 13.161 -9.056 1.00 0.00 H new ATOM 0 HA LYS A 61 8.388 14.386 -9.644 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.814 12.690 -12.061 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.240 13.450 -11.937 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.453 15.048 -13.112 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.575 15.646 -11.470 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.796 14.567 -11.225 1.00 0.00 H new ATOM 0 HD3 LYS A 61 10.673 13.919 -12.848 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.579 16.893 -12.210 1.00 0.00 H new ATOM 0 HE3 LYS A 61 12.049 16.039 -12.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.175 17.035 -14.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.919 15.362 -14.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.628 16.386 -14.329 1.00 0.00 H new ATOM 1003 N ARG A 62 5.951 13.424 -9.629 1.00 0.00 N ATOM 1004 CA ARG A 62 4.675 12.888 -9.171 1.00 0.00 C ATOM 1005 C ARG A 62 3.978 12.106 -10.281 1.00 0.00 C ATOM 1006 O ARG A 62 3.222 11.173 -10.015 1.00 0.00 O ATOM 1007 CB ARG A 62 3.769 14.020 -8.682 1.00 0.00 C ATOM 1008 CG ARG A 62 2.929 13.646 -7.471 1.00 0.00 C ATOM 1009 CD ARG A 62 1.595 13.045 -7.882 1.00 0.00 C ATOM 1010 NE ARG A 62 0.535 13.361 -6.928 1.00 0.00 N ATOM 1011 CZ ARG A 62 0.082 14.593 -6.704 1.00 0.00 C ATOM 1012 NH1 ARG A 62 0.594 15.625 -7.362 1.00 0.00 N ATOM 1013 NH2 ARG A 62 -0.885 14.792 -5.819 1.00 0.00 N ATOM 0 H ARG A 62 5.903 14.379 -9.985 1.00 0.00 H new ATOM 0 HA ARG A 62 4.874 12.206 -8.344 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.384 14.885 -8.434 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.107 14.321 -9.494 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.476 12.933 -6.854 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.757 14.531 -6.859 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.318 13.418 -8.868 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.696 11.963 -7.967 1.00 0.00 H new ATOM 0 HE ARG A 62 0.117 12.593 -6.403 1.00 0.00 H new ATOM 0 HH11 ARG A 62 1.338 15.477 -8.043 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.243 16.567 -7.186 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.281 14.002 -5.310 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.233 15.735 -5.647 1.00 0.00 H new ATOM 1027 N SER A 63 4.238 12.494 -11.526 1.00 0.00 N ATOM 1028 CA SER A 63 3.633 11.829 -12.674 1.00 0.00 C ATOM 1029 C SER A 63 4.499 10.666 -13.150 1.00 0.00 C ATOM 1030 O SER A 63 4.017 9.544 -13.304 1.00 0.00 O ATOM 1031 CB SER A 63 3.426 12.826 -13.817 1.00 0.00 C ATOM 1032 OG SER A 63 2.216 12.566 -14.507 1.00 0.00 O ATOM 0 H SER A 63 4.863 13.264 -11.765 1.00 0.00 H new ATOM 0 HA SER A 63 2.665 11.435 -12.364 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.411 13.841 -13.420 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.264 12.767 -14.511 1.00 0.00 H new ATOM 0 HG SER A 63 2.106 13.217 -15.231 1.00 0.00 H new ATOM 1038 N VAL A 64 5.778 10.941 -13.381 1.00 0.00 N ATOM 1039 CA VAL A 64 6.710 9.918 -13.840 1.00 0.00 C ATOM 1040 C VAL A 64 6.779 8.755 -12.855 1.00 0.00 C ATOM 1041 O VAL A 64 6.922 7.600 -13.253 1.00 0.00 O ATOM 1042 CB VAL A 64 8.125 10.493 -14.037 1.00 0.00 C ATOM 1043 CG1 VAL A 64 9.032 9.468 -14.700 1.00 0.00 C ATOM 1044 CG2 VAL A 64 8.070 11.775 -14.854 1.00 0.00 C ATOM 0 H VAL A 64 6.193 11.864 -13.258 1.00 0.00 H new ATOM 0 HA VAL A 64 6.336 9.558 -14.798 1.00 0.00 H new ATOM 0 HB VAL A 64 8.541 10.730 -13.058 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.027 9.893 -14.831 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.097 8.579 -14.072 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.623 9.196 -15.673 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.079 12.168 -14.983 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.634 11.566 -15.831 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.458 12.512 -14.334 1.00 0.00 H new ATOM 1054 N LYS A 65 6.677 9.070 -11.568 1.00 0.00 N ATOM 1055 CA LYS A 65 6.727 8.051 -10.526 1.00 0.00 C ATOM 1056 C LYS A 65 5.544 7.095 -10.643 1.00 0.00 C ATOM 1057 O LYS A 65 5.651 5.915 -10.308 1.00 0.00 O ATOM 1058 CB LYS A 65 6.737 8.704 -9.143 1.00 0.00 C ATOM 1059 CG LYS A 65 6.820 7.706 -8.000 1.00 0.00 C ATOM 1060 CD LYS A 65 8.205 7.090 -7.897 1.00 0.00 C ATOM 1061 CE LYS A 65 8.149 5.691 -7.306 1.00 0.00 C ATOM 1062 NZ LYS A 65 8.177 4.640 -8.361 1.00 0.00 N ATOM 0 H LYS A 65 6.559 10.022 -11.222 1.00 0.00 H new ATOM 0 HA LYS A 65 7.646 7.480 -10.655 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.583 9.388 -9.079 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.834 9.303 -9.027 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.572 8.204 -7.063 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.081 6.919 -8.149 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.661 7.050 -8.886 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.841 7.723 -7.278 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.992 5.549 -6.630 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.242 5.584 -6.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.425 3.725 -7.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.240 4.571 -8.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.885 4.889 -9.081 1.00 0.00 H new ATOM 1076 N VAL A 66 4.417 7.613 -11.119 1.00 0.00 N ATOM 1077 CA VAL A 66 3.213 6.805 -11.279 1.00 0.00 C ATOM 1078 C VAL A 66 3.431 5.692 -12.299 1.00 0.00 C ATOM 1079 O VAL A 66 2.830 4.622 -12.203 1.00 0.00 O ATOM 1080 CB VAL A 66 2.013 7.664 -11.720 1.00 0.00 C ATOM 1081 CG1 VAL A 66 0.736 6.836 -11.732 1.00 0.00 C ATOM 1082 CG2 VAL A 66 1.863 8.878 -10.813 1.00 0.00 C ATOM 0 H VAL A 66 4.312 8.588 -11.401 1.00 0.00 H new ATOM 0 HA VAL A 66 2.995 6.365 -10.306 1.00 0.00 H new ATOM 0 HB VAL A 66 2.197 8.017 -12.735 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.100 7.461 -12.046 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.848 6.004 -12.427 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.544 6.449 -10.731 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.010 9.473 -11.140 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.703 8.548 -9.787 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.768 9.483 -10.863 1.00 0.00 H new ATOM 1092 N LYS A 67 4.293 5.950 -13.277 1.00 0.00 N ATOM 1093 CA LYS A 67 4.588 4.968 -14.314 1.00 0.00 C ATOM 1094 C LYS A 67 5.259 3.735 -13.719 1.00 0.00 C ATOM 1095 O LYS A 67 4.852 2.605 -13.989 1.00 0.00 O ATOM 1096 CB LYS A 67 5.486 5.583 -15.390 1.00 0.00 C ATOM 1097 CG LYS A 67 5.175 5.092 -16.794 1.00 0.00 C ATOM 1098 CD LYS A 67 5.392 6.186 -17.828 1.00 0.00 C ATOM 1099 CE LYS A 67 4.337 6.139 -18.920 1.00 0.00 C ATOM 1100 NZ LYS A 67 4.132 4.757 -19.436 1.00 0.00 N ATOM 0 H LYS A 67 4.799 6.830 -13.373 1.00 0.00 H new ATOM 0 HA LYS A 67 3.646 4.663 -14.769 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.382 6.668 -15.362 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.526 5.356 -15.157 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.808 4.236 -17.030 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.142 4.747 -16.839 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.368 7.160 -17.339 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.381 6.077 -18.272 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.395 6.525 -18.531 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.634 6.792 -19.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.746 4.800 -20.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.042 4.253 -19.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.465 4.251 -18.818 1.00 0.00 H new ATOM 1114 N SER A 68 6.287 3.959 -12.906 1.00 0.00 N ATOM 1115 CA SER A 68 7.011 2.866 -12.270 1.00 0.00 C ATOM 1116 C SER A 68 6.072 2.013 -11.424 1.00 0.00 C ATOM 1117 O SER A 68 6.293 0.815 -11.247 1.00 0.00 O ATOM 1118 CB SER A 68 8.145 3.413 -11.401 1.00 0.00 C ATOM 1119 OG SER A 68 8.631 2.422 -10.513 1.00 0.00 O ATOM 0 H SER A 68 6.637 4.888 -12.673 1.00 0.00 H new ATOM 0 HA SER A 68 7.435 2.239 -13.054 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.957 3.765 -12.037 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.789 4.272 -10.832 1.00 0.00 H new ATOM 0 HG SER A 68 9.356 2.796 -9.970 1.00 0.00 H new ATOM 1125 N LEU A 69 5.021 2.639 -10.904 1.00 0.00 N ATOM 1126 CA LEU A 69 4.045 1.939 -10.077 1.00 0.00 C ATOM 1127 C LEU A 69 3.309 0.877 -10.887 1.00 0.00 C ATOM 1128 O LEU A 69 3.150 -0.258 -10.441 1.00 0.00 O ATOM 1129 CB LEU A 69 3.044 2.935 -9.484 1.00 0.00 C ATOM 1130 CG LEU A 69 3.352 3.392 -8.058 1.00 0.00 C ATOM 1131 CD1 LEU A 69 4.783 3.901 -7.956 1.00 0.00 C ATOM 1132 CD2 LEU A 69 2.370 4.469 -7.621 1.00 0.00 C ATOM 0 H LEU A 69 4.824 3.630 -11.041 1.00 0.00 H new ATOM 0 HA LEU A 69 4.578 1.444 -9.265 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.002 3.812 -10.129 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.053 2.482 -9.498 1.00 0.00 H new ATOM 0 HG LEU A 69 3.245 2.536 -7.392 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.983 4.222 -6.934 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.473 3.102 -8.228 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.919 4.744 -8.634 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.603 4.783 -6.604 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.447 5.325 -8.292 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.356 4.072 -7.654 1.00 0.00 H new ATOM 1144 N SER A 70 2.864 1.255 -12.081 1.00 0.00 N ATOM 1145 CA SER A 70 2.145 0.336 -12.956 1.00 0.00 C ATOM 1146 C SER A 70 2.983 -0.906 -13.248 1.00 0.00 C ATOM 1147 O SER A 70 2.473 -2.026 -13.231 1.00 0.00 O ATOM 1148 CB SER A 70 1.770 1.033 -14.266 1.00 0.00 C ATOM 1149 OG SER A 70 0.506 0.594 -14.733 1.00 0.00 O ATOM 0 H SER A 70 2.989 2.192 -12.465 1.00 0.00 H new ATOM 0 HA SER A 70 1.234 0.025 -12.445 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.751 2.112 -14.115 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.530 0.830 -15.020 1.00 0.00 H new ATOM 0 HG SER A 70 0.288 1.055 -15.570 1.00 0.00 H new ATOM 1155 N ASP A 71 4.270 -0.700 -13.509 1.00 0.00 N ATOM 1156 CA ASP A 71 5.174 -1.807 -13.796 1.00 0.00 C ATOM 1157 C ASP A 71 5.707 -2.432 -12.508 1.00 0.00 C ATOM 1158 O ASP A 71 6.513 -3.361 -12.546 1.00 0.00 O ATOM 1159 CB ASP A 71 6.338 -1.334 -14.668 1.00 0.00 C ATOM 1160 CG ASP A 71 5.903 -1.002 -16.083 1.00 0.00 C ATOM 1161 OD1 ASP A 71 4.783 -0.473 -16.250 1.00 0.00 O ATOM 1162 OD2 ASP A 71 6.680 -1.270 -17.022 1.00 0.00 O ATOM 0 H ASP A 71 4.709 0.221 -13.528 1.00 0.00 H new ATOM 0 HA ASP A 71 4.610 -2.567 -14.337 1.00 0.00 H new ATOM 0 HB2 ASP A 71 6.793 -0.454 -14.215 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.104 -2.109 -14.699 1.00 0.00 H new ATOM 1167 N MET A 72 5.235 -1.930 -11.370 1.00 0.00 N ATOM 1168 CA MET A 72 5.646 -2.452 -10.074 1.00 0.00 C ATOM 1169 C MET A 72 4.497 -3.237 -9.460 1.00 0.00 C ATOM 1170 O MET A 72 4.704 -4.196 -8.716 1.00 0.00 O ATOM 1171 CB MET A 72 6.064 -1.312 -9.144 1.00 0.00 C ATOM 1172 CG MET A 72 6.610 -1.786 -7.808 1.00 0.00 C ATOM 1173 SD MET A 72 6.811 -0.440 -6.624 1.00 0.00 S ATOM 1174 CE MET A 72 5.099 -0.037 -6.278 1.00 0.00 C ATOM 0 H MET A 72 4.567 -1.161 -11.321 1.00 0.00 H new ATOM 0 HA MET A 72 6.503 -3.111 -10.211 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.821 -0.707 -9.642 1.00 0.00 H new ATOM 0 HB3 MET A 72 5.205 -0.665 -8.967 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.938 -2.535 -7.390 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.572 -2.273 -7.965 1.00 0.00 H new ATOM 0 HE1 MET A 72 5.024 0.409 -5.286 1.00 0.00 H new ATOM 0 HE2 MET A 72 4.734 0.670 -7.023 1.00 0.00 H new ATOM 0 HE3 MET A 72 4.497 -0.945 -6.314 1.00 0.00 H new ATOM 1184 N THR A 73 3.281 -2.824 -9.801 1.00 0.00 N ATOM 1185 CA THR A 73 2.081 -3.479 -9.317 1.00 0.00 C ATOM 1186 C THR A 73 1.863 -4.785 -10.079 1.00 0.00 C ATOM 1187 O THR A 73 1.326 -5.749 -9.535 1.00 0.00 O ATOM 1188 CB THR A 73 0.884 -2.527 -9.478 1.00 0.00 C ATOM 1189 OG1 THR A 73 0.812 -1.620 -8.393 1.00 0.00 O ATOM 1190 CG2 THR A 73 -0.464 -3.206 -9.596 1.00 0.00 C ATOM 0 H THR A 73 3.105 -2.030 -10.417 1.00 0.00 H new ATOM 0 HA THR A 73 2.187 -3.722 -8.260 1.00 0.00 H new ATOM 0 HB THR A 73 1.078 -2.018 -10.422 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.045 -1.023 -8.516 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.243 -2.452 -9.706 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.467 -3.860 -10.468 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.654 -3.796 -8.699 1.00 0.00 H new ATOM 1198 N ALA A 74 2.286 -4.807 -11.340 1.00 0.00 N ATOM 1199 CA ALA A 74 2.138 -5.995 -12.172 1.00 0.00 C ATOM 1200 C ALA A 74 3.308 -6.961 -11.988 1.00 0.00 C ATOM 1201 O ALA A 74 3.347 -8.022 -12.610 1.00 0.00 O ATOM 1202 CB ALA A 74 2.005 -5.599 -13.634 1.00 0.00 C ATOM 0 H ALA A 74 2.733 -4.017 -11.806 1.00 0.00 H new ATOM 0 HA ALA A 74 1.231 -6.511 -11.857 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.895 -6.495 -14.245 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.128 -4.964 -13.761 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.896 -5.054 -13.946 1.00 0.00 H new ATOM 1208 N LYS A 75 4.263 -6.590 -11.137 1.00 0.00 N ATOM 1209 CA LYS A 75 5.428 -7.433 -10.886 1.00 0.00 C ATOM 1210 C LYS A 75 5.421 -7.969 -9.458 1.00 0.00 C ATOM 1211 O LYS A 75 5.623 -9.163 -9.233 1.00 0.00 O ATOM 1212 CB LYS A 75 6.716 -6.648 -11.143 1.00 0.00 C ATOM 1213 CG LYS A 75 7.845 -7.499 -11.700 1.00 0.00 C ATOM 1214 CD LYS A 75 9.175 -6.767 -11.639 1.00 0.00 C ATOM 1215 CE LYS A 75 9.388 -5.895 -12.866 1.00 0.00 C ATOM 1216 NZ LYS A 75 9.371 -6.692 -14.124 1.00 0.00 N ATOM 0 H LYS A 75 4.253 -5.715 -10.612 1.00 0.00 H new ATOM 0 HA LYS A 75 5.383 -8.281 -11.570 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.505 -5.837 -11.841 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.044 -6.189 -10.211 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.914 -8.429 -11.136 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.624 -7.769 -12.733 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.211 -6.149 -10.742 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.986 -7.491 -11.560 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.610 -5.133 -12.909 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.341 -5.373 -12.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.198 -6.443 -14.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.402 -7.706 -13.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.501 -6.484 -14.655 1.00 0.00 H new ATOM 1230 N GLU A 76 5.191 -7.083 -8.497 1.00 0.00 N ATOM 1231 CA GLU A 76 5.161 -7.471 -7.092 1.00 0.00 C ATOM 1232 C GLU A 76 4.017 -8.437 -6.817 1.00 0.00 C ATOM 1233 O GLU A 76 4.230 -9.554 -6.347 1.00 0.00 O ATOM 1234 CB GLU A 76 5.024 -6.233 -6.203 1.00 0.00 C ATOM 1235 CG GLU A 76 6.244 -5.327 -6.227 1.00 0.00 C ATOM 1236 CD GLU A 76 7.519 -6.057 -5.857 1.00 0.00 C ATOM 1237 OE1 GLU A 76 8.040 -6.811 -6.706 1.00 0.00 O ATOM 1238 OE2 GLU A 76 7.997 -5.877 -4.717 1.00 0.00 O ATOM 0 H GLU A 76 5.023 -6.091 -8.665 1.00 0.00 H new ATOM 0 HA GLU A 76 6.099 -7.975 -6.861 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.152 -5.662 -6.522 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.839 -6.552 -5.177 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.352 -4.896 -7.222 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.090 -4.498 -5.536 1.00 0.00 H new ATOM 1245 N LYS A 77 2.802 -7.993 -7.118 1.00 0.00 N ATOM 1246 CA LYS A 77 1.601 -8.798 -6.911 1.00 0.00 C ATOM 1247 C LYS A 77 0.354 -7.943 -7.116 1.00 0.00 C ATOM 1248 O LYS A 77 -0.688 -8.438 -7.545 1.00 0.00 O ATOM 1249 CB LYS A 77 1.587 -9.414 -5.505 1.00 0.00 C ATOM 1250 CG LYS A 77 1.361 -10.917 -5.502 1.00 0.00 C ATOM 1251 CD LYS A 77 2.493 -11.654 -6.201 1.00 0.00 C ATOM 1252 CE LYS A 77 2.203 -13.142 -6.314 1.00 0.00 C ATOM 1253 NZ LYS A 77 2.379 -13.843 -5.012 1.00 0.00 N ATOM 0 H LYS A 77 2.621 -7.069 -7.511 1.00 0.00 H new ATOM 0 HA LYS A 77 1.606 -9.608 -7.641 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.535 -9.196 -5.013 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.804 -8.936 -4.916 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.275 -11.271 -4.475 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.417 -11.145 -5.997 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.642 -11.235 -7.196 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.421 -11.504 -5.650 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.183 -13.287 -6.669 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.865 -13.585 -7.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.866 -14.749 -5.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.947 -13.251 -4.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.448 -14.020 -4.584 1.00 0.00 H new ATOM 1267 N PHE A 78 0.477 -6.654 -6.802 1.00 0.00 N ATOM 1268 CA PHE A 78 -0.621 -5.706 -6.945 1.00 0.00 C ATOM 1269 C PHE A 78 -1.308 -5.827 -8.283 1.00 0.00 C ATOM 1270 O PHE A 78 -0.916 -6.627 -9.131 1.00 0.00 O ATOM 1271 CB PHE A 78 -0.110 -4.281 -6.798 1.00 0.00 C ATOM 1272 CG PHE A 78 0.855 -4.098 -5.681 1.00 0.00 C ATOM 1273 CD1 PHE A 78 0.772 -4.874 -4.541 1.00 0.00 C ATOM 1274 CD2 PHE A 78 1.868 -3.170 -5.794 1.00 0.00 C ATOM 1275 CE1 PHE A 78 1.695 -4.721 -3.527 1.00 0.00 C ATOM 1276 CE2 PHE A 78 2.787 -3.006 -4.784 1.00 0.00 C ATOM 1277 CZ PHE A 78 2.703 -3.784 -3.646 1.00 0.00 C ATOM 0 H PHE A 78 1.338 -6.241 -6.443 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.340 -5.940 -6.160 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.367 -3.979 -7.730 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.959 -3.615 -6.644 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.019 -5.603 -4.443 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.941 -2.565 -6.686 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.629 -5.334 -2.640 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.572 -2.271 -4.881 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.424 -3.660 -2.851 1.00 0.00 H new ATOM 1287 N SER A 79 -2.315 -4.979 -8.460 1.00 0.00 N ATOM 1288 CA SER A 79 -3.088 -4.900 -9.697 1.00 0.00 C ATOM 1289 C SER A 79 -4.586 -4.797 -9.438 1.00 0.00 C ATOM 1290 O SER A 79 -5.285 -4.074 -10.150 1.00 0.00 O ATOM 1291 CB SER A 79 -2.817 -6.077 -10.649 1.00 0.00 C ATOM 1292 OG SER A 79 -3.061 -7.323 -10.020 1.00 0.00 O ATOM 0 H SER A 79 -2.622 -4.321 -7.744 1.00 0.00 H new ATOM 0 HA SER A 79 -2.750 -3.984 -10.182 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.449 -5.985 -11.532 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.783 -6.038 -10.992 1.00 0.00 H new ATOM 0 HG SER A 79 -2.234 -7.648 -9.605 1.00 0.00 H new ATOM 1298 N PRO A 80 -5.131 -5.549 -8.468 1.00 0.00 N ATOM 1299 CA PRO A 80 -6.550 -5.550 -8.203 1.00 0.00 C ATOM 1300 C PRO A 80 -6.984 -4.732 -6.994 1.00 0.00 C ATOM 1301 O PRO A 80 -7.634 -3.699 -7.155 1.00 0.00 O ATOM 1302 CB PRO A 80 -6.812 -7.036 -7.979 1.00 0.00 C ATOM 1303 CG PRO A 80 -5.521 -7.586 -7.429 1.00 0.00 C ATOM 1304 CD PRO A 80 -4.459 -6.515 -7.602 1.00 0.00 C ATOM 0 HA PRO A 80 -7.112 -5.084 -9.012 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.635 -7.190 -7.281 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.087 -7.532 -8.910 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.633 -7.848 -6.377 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -5.237 -8.497 -7.956 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.168 -6.073 -6.649 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.553 -6.911 -8.060 1.00 0.00 H new ATOM 1312 N LEU A 81 -6.645 -5.178 -5.788 1.00 0.00 N ATOM 1313 CA LEU A 81 -7.044 -4.437 -4.605 1.00 0.00 C ATOM 1314 C LEU A 81 -5.891 -3.591 -4.117 1.00 0.00 C ATOM 1315 O LEU A 81 -5.970 -2.924 -3.087 1.00 0.00 O ATOM 1316 CB LEU A 81 -7.546 -5.383 -3.521 1.00 0.00 C ATOM 1317 CG LEU A 81 -9.032 -5.728 -3.646 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -9.366 -6.978 -2.854 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -9.890 -4.555 -3.191 1.00 0.00 C ATOM 0 H LEU A 81 -6.109 -6.027 -5.610 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.869 -3.772 -4.861 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.964 -6.304 -3.557 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.368 -4.931 -2.545 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.250 -5.928 -4.695 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.428 -7.202 -2.959 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.779 -7.815 -3.231 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.132 -6.816 -1.802 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.944 -4.817 -3.286 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.666 -4.323 -2.150 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.675 -3.685 -3.811 1.00 0.00 H new ATOM 1331 N THR A 82 -4.824 -3.616 -4.897 1.00 0.00 N ATOM 1332 CA THR A 82 -3.640 -2.854 -4.604 1.00 0.00 C ATOM 1333 C THR A 82 -3.335 -1.898 -5.748 1.00 0.00 C ATOM 1334 O THR A 82 -2.408 -1.097 -5.662 1.00 0.00 O ATOM 1335 CB THR A 82 -2.475 -3.790 -4.348 1.00 0.00 C ATOM 1336 OG1 THR A 82 -2.936 -5.122 -4.198 1.00 0.00 O ATOM 1337 CG2 THR A 82 -1.704 -3.426 -3.099 1.00 0.00 C ATOM 0 H THR A 82 -4.762 -4.169 -5.752 1.00 0.00 H new ATOM 0 HA THR A 82 -3.806 -2.261 -3.705 1.00 0.00 H new ATOM 0 HB THR A 82 -1.815 -3.698 -5.211 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.425 -5.206 -3.353 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.881 -4.127 -2.962 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.307 -2.416 -3.198 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.367 -3.472 -2.235 1.00 0.00 H new ATOM 1345 N SER A 83 -4.140 -1.956 -6.814 1.00 0.00 N ATOM 1346 CA SER A 83 -3.944 -1.061 -7.942 1.00 0.00 C ATOM 1347 C SER A 83 -4.740 0.222 -7.735 1.00 0.00 C ATOM 1348 O SER A 83 -5.180 0.870 -8.686 1.00 0.00 O ATOM 1349 CB SER A 83 -4.354 -1.726 -9.253 1.00 0.00 C ATOM 1350 OG SER A 83 -4.361 -0.794 -10.320 1.00 0.00 O ATOM 0 H SER A 83 -4.920 -2.606 -6.913 1.00 0.00 H new ATOM 0 HA SER A 83 -2.883 -0.821 -8.003 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.666 -2.540 -9.482 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.345 -2.167 -9.146 1.00 0.00 H new ATOM 0 HG SER A 83 -4.845 0.013 -10.046 1.00 0.00 H new ATOM 1356 N ASN A 84 -4.898 0.575 -6.474 1.00 0.00 N ATOM 1357 CA ASN A 84 -5.609 1.771 -6.060 1.00 0.00 C ATOM 1358 C ASN A 84 -4.903 2.301 -4.835 1.00 0.00 C ATOM 1359 O ASN A 84 -4.578 3.485 -4.738 1.00 0.00 O ATOM 1360 CB ASN A 84 -7.074 1.458 -5.746 1.00 0.00 C ATOM 1361 CG ASN A 84 -7.945 2.699 -5.756 1.00 0.00 C ATOM 1362 OD1 ASN A 84 -7.586 3.719 -6.344 1.00 0.00 O ATOM 1363 ND2 ASN A 84 -9.097 2.618 -5.101 1.00 0.00 N ATOM 0 H ASN A 84 -4.530 0.030 -5.694 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.609 2.512 -6.860 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -7.455 0.744 -6.476 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.139 0.980 -4.769 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -9.724 3.422 -5.071 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -9.355 1.752 -4.627 1.00 0.00 H new ATOM 1370 N LEU A 85 -4.607 1.379 -3.924 1.00 0.00 N ATOM 1371 CA LEU A 85 -3.869 1.703 -2.727 1.00 0.00 C ATOM 1372 C LEU A 85 -2.448 2.081 -3.127 1.00 0.00 C ATOM 1373 O LEU A 85 -1.739 2.751 -2.377 1.00 0.00 O ATOM 1374 CB LEU A 85 -3.846 0.508 -1.768 1.00 0.00 C ATOM 1375 CG LEU A 85 -3.376 0.825 -0.345 1.00 0.00 C ATOM 1376 CD1 LEU A 85 -4.566 1.044 0.575 1.00 0.00 C ATOM 1377 CD2 LEU A 85 -2.489 -0.291 0.188 1.00 0.00 C ATOM 0 H LEU A 85 -4.873 0.397 -4.001 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.349 2.536 -2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.849 0.084 -1.717 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.196 -0.261 -2.186 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.791 1.744 -0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.212 1.268 1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -5.162 1.879 0.206 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.179 0.143 0.598 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.166 -0.047 1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.049 -1.226 0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.616 -0.401 -0.455 1.00 0.00 H new ATOM 1389 N ILE A 86 -2.036 1.646 -4.329 1.00 0.00 N ATOM 1390 CA ILE A 86 -0.704 1.948 -4.821 1.00 0.00 C ATOM 1391 C ILE A 86 -0.584 3.429 -5.174 1.00 0.00 C ATOM 1392 O ILE A 86 0.326 4.116 -4.712 1.00 0.00 O ATOM 1393 CB ILE A 86 -0.337 1.070 -6.047 1.00 0.00 C ATOM 1394 CG1 ILE A 86 0.666 -0.010 -5.634 1.00 0.00 C ATOM 1395 CG2 ILE A 86 0.230 1.903 -7.192 1.00 0.00 C ATOM 1396 CD1 ILE A 86 0.071 -1.075 -4.742 1.00 0.00 C ATOM 0 H ILE A 86 -2.608 1.090 -4.965 1.00 0.00 H new ATOM 0 HA ILE A 86 0.001 1.719 -4.022 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.253 0.599 -6.405 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.070 -0.481 -6.530 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.502 0.460 -5.117 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.474 1.251 -8.030 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.510 2.639 -7.508 1.00 0.00 H new ATOM 0 HG23 ILE A 86 1.132 2.416 -6.857 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.838 -1.807 -4.488 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.308 -0.615 -3.829 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.747 -1.572 -5.264 1.00 0.00 H new ATOM 1408 N ASN A 87 -1.511 3.910 -5.995 1.00 0.00 N ATOM 1409 CA ASN A 87 -1.516 5.306 -6.412 1.00 0.00 C ATOM 1410 C ASN A 87 -1.801 6.225 -5.229 1.00 0.00 C ATOM 1411 O ASN A 87 -1.340 7.366 -5.191 1.00 0.00 O ATOM 1412 CB ASN A 87 -2.559 5.529 -7.507 1.00 0.00 C ATOM 1413 CG ASN A 87 -2.436 4.525 -8.637 1.00 0.00 C ATOM 1414 OD1 ASN A 87 -1.207 4.258 -9.060 1.00 0.00 O flip ATOM 1415 ND2 ASN A 87 -3.435 3.995 -9.124 1.00 0.00 N flip ATOM 0 H ASN A 87 -2.270 3.352 -6.385 1.00 0.00 H new ATOM 0 HA ASN A 87 -0.528 5.545 -6.806 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -3.557 5.463 -7.073 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -2.452 6.537 -7.907 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -4.362 4.230 -8.768 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -3.336 3.321 -9.883 1.00 0.00 H new ATOM 1422 N LEU A 88 -2.562 5.719 -4.263 1.00 0.00 N ATOM 1423 CA LEU A 88 -2.910 6.494 -3.079 1.00 0.00 C ATOM 1424 C LEU A 88 -1.720 6.607 -2.133 1.00 0.00 C ATOM 1425 O LEU A 88 -1.522 7.641 -1.494 1.00 0.00 O ATOM 1426 CB LEU A 88 -4.095 5.855 -2.354 1.00 0.00 C ATOM 1427 CG LEU A 88 -4.971 6.828 -1.564 1.00 0.00 C ATOM 1428 CD1 LEU A 88 -6.037 7.435 -2.464 1.00 0.00 C ATOM 1429 CD2 LEU A 88 -5.612 6.124 -0.377 1.00 0.00 C ATOM 0 H LEU A 88 -2.949 4.775 -4.278 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.190 7.497 -3.402 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.717 5.343 -3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.716 5.094 -1.671 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.340 7.633 -1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.652 8.125 -1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.559 7.973 -3.282 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.665 6.642 -2.870 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.232 6.831 0.174 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.230 5.300 -0.733 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.833 5.736 0.280 1.00 0.00 H new ATOM 1441 N LEU A 89 -0.927 5.545 -2.048 1.00 0.00 N ATOM 1442 CA LEU A 89 0.241 5.544 -1.179 1.00 0.00 C ATOM 1443 C LEU A 89 1.317 6.473 -1.728 1.00 0.00 C ATOM 1444 O LEU A 89 2.052 7.108 -0.972 1.00 0.00 O ATOM 1445 CB LEU A 89 0.791 4.127 -1.023 1.00 0.00 C ATOM 1446 CG LEU A 89 0.707 3.565 0.395 1.00 0.00 C ATOM 1447 CD1 LEU A 89 0.576 2.050 0.364 1.00 0.00 C ATOM 1448 CD2 LEU A 89 1.926 3.985 1.201 1.00 0.00 C ATOM 0 H LEU A 89 -1.071 4.679 -2.567 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.062 5.908 -0.197 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.247 3.464 -1.695 1.00 0.00 H new ATOM 0 HB3 LEU A 89 1.833 4.119 -1.342 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.182 3.971 0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.518 1.669 1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.328 1.774 -0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.444 1.620 -0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.853 3.578 2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.828 3.606 0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.972 5.073 1.251 1.00 0.00 H new ATOM 1460 N ALA A 90 1.394 6.550 -3.050 1.00 0.00 N ATOM 1461 CA ALA A 90 2.371 7.406 -3.710 1.00 0.00 C ATOM 1462 C ALA A 90 1.694 8.626 -4.326 1.00 0.00 C ATOM 1463 O ALA A 90 2.209 9.221 -5.272 1.00 0.00 O ATOM 1464 CB ALA A 90 3.126 6.625 -4.774 1.00 0.00 C ATOM 0 H ALA A 90 0.791 6.029 -3.687 1.00 0.00 H new ATOM 0 HA ALA A 90 3.083 7.753 -2.961 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.852 7.278 -5.258 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.645 5.786 -4.310 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.423 6.250 -5.518 1.00 0.00 H new ATOM 1470 N GLU A 91 0.537 8.995 -3.782 1.00 0.00 N ATOM 1471 CA GLU A 91 -0.209 10.145 -4.282 1.00 0.00 C ATOM 1472 C GLU A 91 0.258 11.430 -3.608 1.00 0.00 C ATOM 1473 O GLU A 91 0.571 12.415 -4.277 1.00 0.00 O ATOM 1474 CB GLU A 91 -1.709 9.946 -4.049 1.00 0.00 C ATOM 1475 CG GLU A 91 -2.550 10.160 -5.297 1.00 0.00 C ATOM 1476 CD GLU A 91 -3.981 9.688 -5.123 1.00 0.00 C ATOM 1477 OE1 GLU A 91 -4.619 10.085 -4.126 1.00 0.00 O ATOM 1478 OE2 GLU A 91 -4.463 8.922 -5.984 1.00 0.00 O ATOM 0 H GLU A 91 0.097 8.515 -2.997 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.024 10.231 -5.353 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.880 8.937 -3.674 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.043 10.635 -3.273 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.549 11.219 -5.554 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -2.095 9.629 -6.133 1.00 0.00 H new ATOM 1485 N ASN A 92 0.301 11.415 -2.279 1.00 0.00 N ATOM 1486 CA ASN A 92 0.728 12.583 -1.517 1.00 0.00 C ATOM 1487 C ASN A 92 2.007 12.292 -0.736 1.00 0.00 C ATOM 1488 O ASN A 92 2.278 12.926 0.284 1.00 0.00 O ATOM 1489 CB ASN A 92 -0.378 13.025 -0.559 1.00 0.00 C ATOM 1490 CG ASN A 92 -1.355 13.986 -1.208 1.00 0.00 C ATOM 1491 OD1 ASN A 92 -0.956 14.985 -1.805 1.00 0.00 O ATOM 1492 ND2 ASN A 92 -2.643 13.687 -1.094 1.00 0.00 N ATOM 0 H ASN A 92 0.046 10.609 -1.709 1.00 0.00 H new ATOM 0 HA ASN A 92 0.933 13.388 -2.223 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -0.918 12.148 -0.202 1.00 0.00 H new ATOM 0 HB3 ASN A 92 0.070 13.500 0.314 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -3.347 14.296 -1.511 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -2.929 12.848 -0.590 1.00 0.00 H new ATOM 1499 N GLY A 93 2.789 11.331 -1.219 1.00 0.00 N ATOM 1500 CA GLY A 93 4.027 10.978 -0.551 1.00 0.00 C ATOM 1501 C GLY A 93 3.800 10.085 0.653 1.00 0.00 C ATOM 1502 O GLY A 93 4.600 10.078 1.589 1.00 0.00 O ATOM 0 H GLY A 93 2.587 10.791 -2.061 1.00 0.00 H new ATOM 0 HA2 GLY A 93 4.686 10.472 -1.257 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.538 11.887 -0.234 1.00 0.00 H new ATOM 1506 N ARG A 94 2.706 9.332 0.628 1.00 0.00 N ATOM 1507 CA ARG A 94 2.375 8.432 1.725 1.00 0.00 C ATOM 1508 C ARG A 94 3.450 7.360 1.903 1.00 0.00 C ATOM 1509 O ARG A 94 3.542 6.734 2.958 1.00 0.00 O ATOM 1510 CB ARG A 94 1.016 7.773 1.480 1.00 0.00 C ATOM 1511 CG ARG A 94 0.176 7.626 2.739 1.00 0.00 C ATOM 1512 CD ARG A 94 -0.263 8.978 3.276 1.00 0.00 C ATOM 1513 NE ARG A 94 0.691 9.521 4.240 1.00 0.00 N ATOM 1514 CZ ARG A 94 0.664 10.775 4.685 1.00 0.00 C ATOM 1515 NH1 ARG A 94 -0.268 11.619 4.254 1.00 0.00 N ATOM 1516 NH2 ARG A 94 1.568 11.188 5.562 1.00 0.00 N ATOM 0 H ARG A 94 2.034 9.327 -0.139 1.00 0.00 H new ATOM 0 HA ARG A 94 2.326 9.023 2.640 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.462 8.363 0.750 1.00 0.00 H new ATOM 0 HB3 ARG A 94 1.173 6.788 1.041 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.702 7.017 2.523 1.00 0.00 H new ATOM 0 HG3 ARG A 94 0.750 7.099 3.501 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.378 9.677 2.448 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -1.240 8.880 3.749 1.00 0.00 H new ATOM 0 HE ARG A 94 1.421 8.902 4.593 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -0.966 11.306 3.579 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -0.285 12.579 4.598 1.00 0.00 H new ATOM 0 HH21 ARG A 94 2.285 10.545 5.896 1.00 0.00 H new ATOM 0 HH22 ARG A 94 1.546 12.149 5.902 1.00 0.00 H new ATOM 1530 N LEU A 95 4.260 7.154 0.867 1.00 0.00 N ATOM 1531 CA LEU A 95 5.326 6.160 0.918 1.00 0.00 C ATOM 1532 C LEU A 95 6.409 6.578 1.904 1.00 0.00 C ATOM 1533 O LEU A 95 7.502 6.992 1.516 1.00 0.00 O ATOM 1534 CB LEU A 95 5.929 5.953 -0.473 1.00 0.00 C ATOM 1535 CG LEU A 95 5.213 4.916 -1.341 1.00 0.00 C ATOM 1536 CD1 LEU A 95 5.746 4.952 -2.765 1.00 0.00 C ATOM 1537 CD2 LEU A 95 5.372 3.525 -0.746 1.00 0.00 C ATOM 0 H LEU A 95 4.198 7.662 -0.016 1.00 0.00 H new ATOM 0 HA LEU A 95 4.896 5.218 1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.928 6.908 -0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.971 5.653 -0.360 1.00 0.00 H new ATOM 0 HG LEU A 95 4.151 5.161 -1.366 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.225 4.208 -3.367 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.582 5.942 -3.190 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.813 4.732 -2.760 1.00 0.00 H new ATOM 0 HD21 LEU A 95 4.857 2.799 -1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.431 3.271 -0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.942 3.506 0.256 1.00 0.00 H new ATOM 1549 N THR A 96 6.089 6.456 3.184 1.00 0.00 N ATOM 1550 CA THR A 96 7.011 6.805 4.256 1.00 0.00 C ATOM 1551 C THR A 96 6.664 6.008 5.505 1.00 0.00 C ATOM 1552 O THR A 96 7.540 5.462 6.175 1.00 0.00 O ATOM 1553 CB THR A 96 6.948 8.304 4.551 1.00 0.00 C ATOM 1554 OG1 THR A 96 5.631 8.693 4.898 1.00 0.00 O ATOM 1555 CG2 THR A 96 7.387 9.162 3.385 1.00 0.00 C ATOM 0 H THR A 96 5.185 6.113 3.509 1.00 0.00 H new ATOM 0 HA THR A 96 8.026 6.561 3.944 1.00 0.00 H new ATOM 0 HB THR A 96 7.638 8.464 5.380 1.00 0.00 H new ATOM 0 HG1 THR A 96 5.612 9.655 5.085 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.318 10.214 3.661 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.418 8.922 3.124 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.742 8.969 2.528 1.00 0.00 H new ATOM 1563 N ASN A 97 5.369 5.931 5.794 1.00 0.00 N ATOM 1564 CA ASN A 97 4.881 5.184 6.942 1.00 0.00 C ATOM 1565 C ASN A 97 4.206 3.890 6.489 1.00 0.00 C ATOM 1566 O ASN A 97 3.521 3.231 7.272 1.00 0.00 O ATOM 1567 CB ASN A 97 3.895 6.034 7.747 1.00 0.00 C ATOM 1568 CG ASN A 97 4.594 7.019 8.663 1.00 0.00 C ATOM 1569 OD1 ASN A 97 5.011 6.668 9.768 1.00 0.00 O ATOM 1570 ND2 ASN A 97 4.727 8.259 8.208 1.00 0.00 N ATOM 0 H ASN A 97 4.637 6.380 5.244 1.00 0.00 H new ATOM 0 HA ASN A 97 5.731 4.932 7.576 1.00 0.00 H new ATOM 0 HB2 ASN A 97 3.245 6.578 7.062 1.00 0.00 H new ATOM 0 HB3 ASN A 97 3.256 5.380 8.341 1.00 0.00 H new ATOM 0 HD21 ASN A 97 5.190 8.965 8.780 1.00 0.00 H new ATOM 0 HD22 ASN A 97 4.366 8.505 7.286 1.00 0.00 H new ATOM 1577 N THR A 98 4.404 3.535 5.214 1.00 0.00 N ATOM 1578 CA THR A 98 3.819 2.322 4.640 1.00 0.00 C ATOM 1579 C THR A 98 3.847 1.150 5.623 1.00 0.00 C ATOM 1580 O THR A 98 2.803 0.592 5.958 1.00 0.00 O ATOM 1581 CB THR A 98 4.558 1.940 3.356 1.00 0.00 C ATOM 1582 OG1 THR A 98 5.348 3.020 2.889 1.00 0.00 O ATOM 1583 CG2 THR A 98 3.632 1.532 2.233 1.00 0.00 C ATOM 0 H THR A 98 4.969 4.075 4.559 1.00 0.00 H new ATOM 0 HA THR A 98 2.775 2.539 4.414 1.00 0.00 H new ATOM 0 HB THR A 98 5.178 1.085 3.625 1.00 0.00 H new ATOM 0 HG1 THR A 98 4.781 3.809 2.763 1.00 0.00 H new ATOM 0 HG21 THR A 98 4.220 1.274 1.352 1.00 0.00 H new ATOM 0 HG22 THR A 98 3.043 0.668 2.542 1.00 0.00 H new ATOM 0 HG23 THR A 98 2.964 2.359 1.994 1.00 0.00 H new ATOM 1591 N PRO A 99 5.044 0.755 6.100 1.00 0.00 N ATOM 1592 CA PRO A 99 5.192 -0.356 7.044 1.00 0.00 C ATOM 1593 C PRO A 99 4.157 -0.308 8.162 1.00 0.00 C ATOM 1594 O PRO A 99 3.475 -1.297 8.431 1.00 0.00 O ATOM 1595 CB PRO A 99 6.613 -0.177 7.609 1.00 0.00 C ATOM 1596 CG PRO A 99 7.140 1.093 7.017 1.00 0.00 C ATOM 1597 CD PRO A 99 6.344 1.345 5.768 1.00 0.00 C ATOM 0 HA PRO A 99 5.040 -1.320 6.559 1.00 0.00 H new ATOM 0 HB2 PRO A 99 6.595 -0.121 8.697 1.00 0.00 H new ATOM 0 HB3 PRO A 99 7.247 -1.023 7.344 1.00 0.00 H new ATOM 0 HG2 PRO A 99 7.034 1.921 7.718 1.00 0.00 H new ATOM 0 HG3 PRO A 99 8.202 1.003 6.788 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.263 2.409 5.546 1.00 0.00 H new ATOM 0 HD3 PRO A 99 6.795 0.871 4.896 1.00 0.00 H new ATOM 1605 N ALA A 100 4.037 0.848 8.808 1.00 0.00 N ATOM 1606 CA ALA A 100 3.074 1.016 9.888 1.00 0.00 C ATOM 1607 C ALA A 100 1.648 0.886 9.366 1.00 0.00 C ATOM 1608 O ALA A 100 0.741 0.492 10.098 1.00 0.00 O ATOM 1609 CB ALA A 100 3.270 2.362 10.570 1.00 0.00 C ATOM 0 H ALA A 100 4.593 1.678 8.603 1.00 0.00 H new ATOM 0 HA ALA A 100 3.242 0.227 10.621 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.543 2.472 11.374 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.278 2.418 10.982 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.130 3.162 9.843 1.00 0.00 H new ATOM 1615 N VAL A 101 1.460 1.214 8.091 1.00 0.00 N ATOM 1616 CA VAL A 101 0.147 1.129 7.464 1.00 0.00 C ATOM 1617 C VAL A 101 -0.248 -0.322 7.219 1.00 0.00 C ATOM 1618 O VAL A 101 -1.430 -0.667 7.239 1.00 0.00 O ATOM 1619 CB VAL A 101 0.113 1.891 6.125 1.00 0.00 C ATOM 1620 CG1 VAL A 101 -1.300 1.921 5.560 1.00 0.00 C ATOM 1621 CG2 VAL A 101 0.656 3.302 6.300 1.00 0.00 C ATOM 0 H VAL A 101 2.202 1.541 7.472 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.564 1.587 8.152 1.00 0.00 H new ATOM 0 HB VAL A 101 0.751 1.366 5.414 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.302 2.464 4.615 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.647 0.901 5.394 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.964 2.420 6.266 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.624 3.825 5.344 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.047 3.839 7.028 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.686 3.254 6.654 1.00 0.00 H new ATOM 1631 N ILE A 102 0.749 -1.170 6.987 1.00 0.00 N ATOM 1632 CA ILE A 102 0.504 -2.585 6.737 1.00 0.00 C ATOM 1633 C ILE A 102 0.106 -3.306 8.020 1.00 0.00 C ATOM 1634 O ILE A 102 -0.770 -4.171 8.011 1.00 0.00 O ATOM 1635 CB ILE A 102 1.745 -3.274 6.139 1.00 0.00 C ATOM 1636 CG1 ILE A 102 2.282 -2.470 4.953 1.00 0.00 C ATOM 1637 CG2 ILE A 102 1.410 -4.696 5.713 1.00 0.00 C ATOM 1638 CD1 ILE A 102 3.734 -2.754 4.637 1.00 0.00 C ATOM 0 H ILE A 102 1.733 -0.902 6.967 1.00 0.00 H new ATOM 0 HA ILE A 102 -0.314 -2.643 6.019 1.00 0.00 H new ATOM 0 HB ILE A 102 2.520 -3.318 6.904 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.678 -2.689 4.073 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.166 -1.407 5.163 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.298 -5.169 5.293 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.072 -5.265 6.579 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.620 -4.674 4.962 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.046 -2.149 3.786 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.350 -2.508 5.502 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.854 -3.810 4.395 1.00 0.00 H new ATOM 1650 N SER A 103 0.752 -2.942 9.123 1.00 0.00 N ATOM 1651 CA SER A 103 0.460 -3.553 10.415 1.00 0.00 C ATOM 1652 C SER A 103 -1.013 -3.387 10.768 1.00 0.00 C ATOM 1653 O SER A 103 -1.634 -4.290 11.328 1.00 0.00 O ATOM 1654 CB SER A 103 1.333 -2.932 11.508 1.00 0.00 C ATOM 1655 OG SER A 103 2.621 -3.524 11.529 1.00 0.00 O ATOM 0 H SER A 103 1.480 -2.228 9.148 1.00 0.00 H new ATOM 0 HA SER A 103 0.684 -4.618 10.346 1.00 0.00 H new ATOM 0 HB2 SER A 103 1.425 -1.859 11.339 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.854 -3.062 12.478 1.00 0.00 H new ATOM 0 HG SER A 103 3.160 -3.109 12.234 1.00 0.00 H new ATOM 1661 N ALA A 104 -1.570 -2.230 10.427 1.00 0.00 N ATOM 1662 CA ALA A 104 -2.972 -1.951 10.700 1.00 0.00 C ATOM 1663 C ALA A 104 -3.867 -2.929 9.949 1.00 0.00 C ATOM 1664 O ALA A 104 -4.888 -3.378 10.468 1.00 0.00 O ATOM 1665 CB ALA A 104 -3.311 -0.517 10.322 1.00 0.00 C ATOM 0 H ALA A 104 -1.071 -1.472 9.961 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.148 -2.076 11.768 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -4.363 -0.324 10.532 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -2.693 0.168 10.903 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -3.120 -0.366 9.260 1.00 0.00 H new ATOM 1671 N PHE A 105 -3.469 -3.265 8.724 1.00 0.00 N ATOM 1672 CA PHE A 105 -4.228 -4.201 7.900 1.00 0.00 C ATOM 1673 C PHE A 105 -4.430 -5.519 8.637 1.00 0.00 C ATOM 1674 O PHE A 105 -5.435 -6.203 8.445 1.00 0.00 O ATOM 1675 CB PHE A 105 -3.500 -4.457 6.579 1.00 0.00 C ATOM 1676 CG PHE A 105 -4.417 -4.758 5.424 1.00 0.00 C ATOM 1677 CD1 PHE A 105 -4.846 -6.054 5.172 1.00 0.00 C ATOM 1678 CD2 PHE A 105 -4.843 -3.744 4.583 1.00 0.00 C ATOM 1679 CE1 PHE A 105 -5.680 -6.326 4.109 1.00 0.00 C ATOM 1680 CE2 PHE A 105 -5.676 -4.013 3.517 1.00 0.00 C ATOM 1681 CZ PHE A 105 -6.095 -5.305 3.280 1.00 0.00 C ATOM 0 H PHE A 105 -2.625 -2.903 8.281 1.00 0.00 H new ATOM 0 HA PHE A 105 -5.202 -3.759 7.691 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -2.897 -3.583 6.333 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.812 -5.292 6.711 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -4.523 -6.858 5.816 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.519 -2.730 4.764 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -6.008 -7.338 3.925 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -6.000 -3.212 2.869 1.00 0.00 H new ATOM 0 HZ PHE A 105 -6.748 -5.517 2.446 1.00 0.00 H new ATOM 1691 N SER A 106 -3.461 -5.873 9.477 1.00 0.00 N ATOM 1692 CA SER A 106 -3.531 -7.114 10.236 1.00 0.00 C ATOM 1693 C SER A 106 -4.389 -6.961 11.488 1.00 0.00 C ATOM 1694 O SER A 106 -4.813 -7.953 12.082 1.00 0.00 O ATOM 1695 CB SER A 106 -2.128 -7.590 10.615 1.00 0.00 C ATOM 1696 OG SER A 106 -2.075 -9.002 10.707 1.00 0.00 O ATOM 0 H SER A 106 -2.622 -5.319 9.648 1.00 0.00 H new ATOM 0 HA SER A 106 -4.001 -7.862 9.597 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.410 -7.244 9.871 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.837 -7.149 11.568 1.00 0.00 H new ATOM 0 HG SER A 106 -1.167 -9.280 10.949 1.00 0.00 H new ATOM 1702 N THR A 107 -4.655 -5.722 11.883 1.00 0.00 N ATOM 1703 CA THR A 107 -5.479 -5.466 13.056 1.00 0.00 C ATOM 1704 C THR A 107 -6.899 -5.143 12.631 1.00 0.00 C ATOM 1705 O THR A 107 -7.861 -5.509 13.305 1.00 0.00 O ATOM 1706 CB THR A 107 -4.898 -4.322 13.889 1.00 0.00 C ATOM 1707 OG1 THR A 107 -3.482 -4.368 13.885 1.00 0.00 O ATOM 1708 CG2 THR A 107 -5.354 -4.341 15.332 1.00 0.00 C ATOM 0 H THR A 107 -4.314 -4.884 11.411 1.00 0.00 H new ATOM 0 HA THR A 107 -5.490 -6.363 13.675 1.00 0.00 H new ATOM 0 HB THR A 107 -5.265 -3.408 13.421 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.133 -3.746 14.557 1.00 0.00 H new ATOM 0 HG21 THR A 107 -4.906 -3.503 15.866 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.440 -4.257 15.372 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.045 -5.276 15.799 1.00 0.00 H new ATOM 1716 N MET A 108 -7.025 -4.478 11.492 1.00 0.00 N ATOM 1717 CA MET A 108 -8.329 -4.137 10.963 1.00 0.00 C ATOM 1718 C MET A 108 -8.950 -5.360 10.305 1.00 0.00 C ATOM 1719 O MET A 108 -10.171 -5.471 10.210 1.00 0.00 O ATOM 1720 CB MET A 108 -8.218 -2.993 9.960 1.00 0.00 C ATOM 1721 CG MET A 108 -7.552 -1.752 10.529 1.00 0.00 C ATOM 1722 SD MET A 108 -8.503 -1.002 11.865 1.00 0.00 S ATOM 1723 CE MET A 108 -7.889 -1.921 13.275 1.00 0.00 C ATOM 0 H MET A 108 -6.240 -4.166 10.921 1.00 0.00 H new ATOM 0 HA MET A 108 -8.968 -3.810 11.783 1.00 0.00 H new ATOM 0 HB2 MET A 108 -7.653 -3.334 9.093 1.00 0.00 H new ATOM 0 HB3 MET A 108 -9.216 -2.731 9.607 1.00 0.00 H new ATOM 0 HG2 MET A 108 -6.560 -2.014 10.897 1.00 0.00 H new ATOM 0 HG3 MET A 108 -7.414 -1.021 9.732 1.00 0.00 H new ATOM 0 HE1 MET A 108 -7.881 -1.276 14.154 1.00 0.00 H new ATOM 0 HE2 MET A 108 -8.536 -2.779 13.460 1.00 0.00 H new ATOM 0 HE3 MET A 108 -6.876 -2.268 13.070 1.00 0.00 H new ATOM 1733 N MET A 109 -8.102 -6.293 9.868 1.00 0.00 N ATOM 1734 CA MET A 109 -8.589 -7.510 9.246 1.00 0.00 C ATOM 1735 C MET A 109 -9.449 -8.283 10.233 1.00 0.00 C ATOM 1736 O MET A 109 -10.451 -8.892 9.859 1.00 0.00 O ATOM 1737 CB MET A 109 -7.422 -8.384 8.784 1.00 0.00 C ATOM 1738 CG MET A 109 -6.470 -8.762 9.903 1.00 0.00 C ATOM 1739 SD MET A 109 -6.957 -10.281 10.744 1.00 0.00 S ATOM 1740 CE MET A 109 -5.750 -11.432 10.093 1.00 0.00 C ATOM 0 H MET A 109 -7.087 -6.224 9.935 1.00 0.00 H new ATOM 0 HA MET A 109 -9.187 -7.240 8.376 1.00 0.00 H new ATOM 0 HB2 MET A 109 -7.817 -9.293 8.330 1.00 0.00 H new ATOM 0 HB3 MET A 109 -6.867 -7.856 8.009 1.00 0.00 H new ATOM 0 HG2 MET A 109 -5.466 -8.882 9.496 1.00 0.00 H new ATOM 0 HG3 MET A 109 -6.425 -7.949 10.627 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.730 -12.328 10.713 1.00 0.00 H new ATOM 0 HE2 MET A 109 -6.019 -11.703 9.072 1.00 0.00 H new ATOM 0 HE3 MET A 109 -4.764 -10.967 10.097 1.00 0.00 H new ATOM 1750 N SER A 110 -9.054 -8.247 11.507 1.00 0.00 N ATOM 1751 CA SER A 110 -9.799 -8.940 12.551 1.00 0.00 C ATOM 1752 C SER A 110 -11.252 -8.471 12.578 1.00 0.00 C ATOM 1753 O SER A 110 -12.134 -9.176 13.067 1.00 0.00 O ATOM 1754 CB SER A 110 -9.149 -8.703 13.915 1.00 0.00 C ATOM 1755 OG SER A 110 -8.203 -9.716 14.212 1.00 0.00 O ATOM 0 H SER A 110 -8.227 -7.748 11.836 1.00 0.00 H new ATOM 0 HA SER A 110 -9.781 -10.007 12.331 1.00 0.00 H new ATOM 0 HB2 SER A 110 -8.659 -7.729 13.924 1.00 0.00 H new ATOM 0 HB3 SER A 110 -9.917 -8.680 14.688 1.00 0.00 H new ATOM 0 HG SER A 110 -7.782 -10.024 13.382 1.00 0.00 H new ATOM 1761 N VAL A 111 -11.491 -7.273 12.047 1.00 0.00 N ATOM 1762 CA VAL A 111 -12.831 -6.706 12.006 1.00 0.00 C ATOM 1763 C VAL A 111 -13.661 -7.332 10.886 1.00 0.00 C ATOM 1764 O VAL A 111 -14.839 -7.637 11.074 1.00 0.00 O ATOM 1765 CB VAL A 111 -12.780 -5.173 11.824 1.00 0.00 C ATOM 1766 CG1 VAL A 111 -14.177 -4.597 11.638 1.00 0.00 C ATOM 1767 CG2 VAL A 111 -12.087 -4.523 13.012 1.00 0.00 C ATOM 0 H VAL A 111 -10.770 -6.678 11.639 1.00 0.00 H new ATOM 0 HA VAL A 111 -13.307 -6.930 12.960 1.00 0.00 H new ATOM 0 HB VAL A 111 -12.206 -4.956 10.923 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -14.111 -3.516 11.512 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -14.638 -5.038 10.754 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -14.784 -4.824 12.515 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -12.058 -3.443 12.870 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -12.636 -4.755 13.925 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -11.070 -4.905 13.094 1.00 0.00 H new ATOM 1777 N HIS A 112 -13.044 -7.527 9.721 1.00 0.00 N ATOM 1778 CA HIS A 112 -13.741 -8.123 8.586 1.00 0.00 C ATOM 1779 C HIS A 112 -13.931 -9.622 8.797 1.00 0.00 C ATOM 1780 O HIS A 112 -14.912 -10.206 8.336 1.00 0.00 O ATOM 1781 CB HIS A 112 -12.979 -7.859 7.280 1.00 0.00 C ATOM 1782 CG HIS A 112 -11.787 -8.742 7.071 1.00 0.00 C ATOM 1783 ND1 HIS A 112 -10.503 -8.261 7.023 1.00 0.00 N ATOM 1784 CD2 HIS A 112 -11.688 -10.081 6.902 1.00 0.00 C ATOM 1785 CE1 HIS A 112 -9.664 -9.263 6.836 1.00 0.00 C ATOM 1786 NE2 HIS A 112 -10.359 -10.379 6.760 1.00 0.00 N ATOM 0 H HIS A 112 -12.070 -7.283 9.541 1.00 0.00 H new ATOM 0 HA HIS A 112 -14.724 -7.658 8.510 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -13.663 -7.988 6.442 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -12.653 -6.819 7.268 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -12.507 -10.785 6.883 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -8.590 -9.181 6.758 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -9.971 -11.312 6.619 1.00 0.00 H new ATOM 1795 N ARG A 113 -12.985 -10.237 9.500 1.00 0.00 N ATOM 1796 CA ARG A 113 -13.046 -11.666 9.777 1.00 0.00 C ATOM 1797 C ARG A 113 -14.065 -11.964 10.872 1.00 0.00 C ATOM 1798 O ARG A 113 -14.675 -13.033 10.893 1.00 0.00 O ATOM 1799 CB ARG A 113 -11.669 -12.185 10.192 1.00 0.00 C ATOM 1800 CG ARG A 113 -11.399 -13.614 9.751 1.00 0.00 C ATOM 1801 CD ARG A 113 -9.914 -13.939 9.791 1.00 0.00 C ATOM 1802 NE ARG A 113 -9.537 -14.626 11.025 1.00 0.00 N ATOM 1803 CZ ARG A 113 -8.279 -14.893 11.370 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -7.276 -14.534 10.578 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -8.024 -15.521 12.510 1.00 0.00 N ATOM 0 H ARG A 113 -12.167 -9.767 9.888 1.00 0.00 H new ATOM 0 HA ARG A 113 -13.359 -12.175 8.865 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -10.903 -11.533 9.772 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -11.579 -12.125 11.277 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -11.941 -14.304 10.398 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -11.778 -13.761 8.740 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -9.656 -14.563 8.935 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -9.339 -13.018 9.699 1.00 0.00 H new ATOM 0 HE ARG A 113 -10.281 -14.918 11.659 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -7.467 -14.051 9.700 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -6.314 -14.741 10.847 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -8.791 -15.799 13.122 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -7.061 -15.726 12.775 1.00 0.00 H new ATOM 1819 N GLY A 114 -14.246 -11.010 11.782 1.00 0.00 N ATOM 1820 CA GLY A 114 -15.192 -11.192 12.866 1.00 0.00 C ATOM 1821 C GLY A 114 -16.613 -11.376 12.372 1.00 0.00 C ATOM 1822 O GLY A 114 -17.427 -12.025 13.029 1.00 0.00 O ATOM 0 H GLY A 114 -13.755 -10.116 11.787 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -14.901 -12.061 13.456 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -15.150 -10.328 13.529 1.00 0.00 H new ATOM 1826 N GLU A 115 -16.913 -10.802 11.212 1.00 0.00 N ATOM 1827 CA GLU A 115 -18.246 -10.905 10.630 1.00 0.00 C ATOM 1828 C GLU A 115 -18.216 -11.724 9.342 1.00 0.00 C ATOM 1829 O GLU A 115 -18.410 -11.192 8.249 1.00 0.00 O ATOM 1830 CB GLU A 115 -18.813 -9.511 10.350 1.00 0.00 C ATOM 1831 CG GLU A 115 -20.330 -9.447 10.419 1.00 0.00 C ATOM 1832 CD GLU A 115 -20.831 -8.150 11.024 1.00 0.00 C ATOM 1833 OE1 GLU A 115 -20.161 -7.624 11.938 1.00 0.00 O ATOM 1834 OE2 GLU A 115 -21.893 -7.661 10.586 1.00 0.00 O ATOM 0 H GLU A 115 -16.251 -10.261 10.656 1.00 0.00 H new ATOM 0 HA GLU A 115 -18.890 -11.414 11.347 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -18.395 -8.806 11.069 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -18.488 -9.188 9.361 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -20.741 -9.558 9.416 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -20.699 -10.286 11.009 1.00 0.00 H new ATOM 1841 N VAL A 116 -17.971 -13.023 9.480 1.00 0.00 N ATOM 1842 CA VAL A 116 -17.914 -13.917 8.330 1.00 0.00 C ATOM 1843 C VAL A 116 -18.595 -15.248 8.633 1.00 0.00 C ATOM 1844 O VAL A 116 -17.939 -16.216 9.018 1.00 0.00 O ATOM 1845 CB VAL A 116 -16.461 -14.184 7.896 1.00 0.00 C ATOM 1846 CG1 VAL A 116 -16.426 -14.951 6.583 1.00 0.00 C ATOM 1847 CG2 VAL A 116 -15.690 -12.878 7.780 1.00 0.00 C ATOM 0 H VAL A 116 -17.809 -13.480 10.377 1.00 0.00 H new ATOM 0 HA VAL A 116 -18.442 -13.419 7.517 1.00 0.00 H new ATOM 0 HB VAL A 116 -15.981 -14.796 8.659 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -15.390 -15.130 6.294 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -16.938 -15.905 6.705 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -16.924 -14.368 5.808 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -14.665 -13.087 7.472 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -16.168 -12.238 7.039 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -15.683 -12.373 8.746 1.00 0.00 H new ATOM 1857 N PRO A 117 -19.927 -15.315 8.463 1.00 0.00 N ATOM 1858 CA PRO A 117 -20.696 -16.537 8.721 1.00 0.00 C ATOM 1859 C PRO A 117 -20.121 -17.747 7.992 1.00 0.00 C ATOM 1860 O PRO A 117 -19.937 -17.722 6.776 1.00 0.00 O ATOM 1861 CB PRO A 117 -22.089 -16.202 8.183 1.00 0.00 C ATOM 1862 CG PRO A 117 -22.178 -14.717 8.259 1.00 0.00 C ATOM 1863 CD PRO A 117 -20.786 -14.206 8.006 1.00 0.00 C ATOM 0 HA PRO A 117 -20.687 -16.809 9.777 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -22.213 -16.554 7.159 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -22.868 -16.676 8.780 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -22.877 -14.329 7.518 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -22.540 -14.397 9.236 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -20.626 -13.982 6.951 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -20.587 -13.289 8.561 1.00 0.00 H new ATOM 1871 N CYS A 118 -19.840 -18.805 8.745 1.00 0.00 N ATOM 1872 CA CYS A 118 -19.287 -20.026 8.172 1.00 0.00 C ATOM 1873 C CYS A 118 -19.934 -21.261 8.790 1.00 0.00 C ATOM 1874 O CYS A 118 -20.583 -22.046 8.099 1.00 0.00 O ATOM 1875 CB CYS A 118 -17.772 -20.071 8.381 1.00 0.00 C ATOM 1876 SG CYS A 118 -16.863 -20.859 7.030 1.00 0.00 S ATOM 0 H CYS A 118 -19.986 -18.841 9.754 1.00 0.00 H new ATOM 0 HA CYS A 118 -19.500 -20.024 7.103 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -17.403 -19.053 8.508 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -17.560 -20.605 9.307 1.00 0.00 H new ATOM 0 HG CYS A 118 -15.591 -20.847 7.298 1.00 0.00 H new ATOM 1882 N THR A 119 -19.752 -21.427 10.096 1.00 0.00 N ATOM 1883 CA THR A 119 -20.319 -22.566 10.808 1.00 0.00 C ATOM 1884 C THR A 119 -21.792 -22.330 11.129 1.00 0.00 C ATOM 1885 O THR A 119 -22.669 -23.015 10.603 1.00 0.00 O ATOM 1886 CB THR A 119 -19.540 -22.827 12.098 1.00 0.00 C ATOM 1887 OG1 THR A 119 -18.189 -22.422 11.959 1.00 0.00 O ATOM 1888 CG2 THR A 119 -19.542 -24.281 12.515 1.00 0.00 C ATOM 0 H THR A 119 -19.216 -20.787 10.683 1.00 0.00 H new ATOM 0 HA THR A 119 -20.242 -23.440 10.162 1.00 0.00 H new ATOM 0 HB THR A 119 -20.050 -22.245 12.866 1.00 0.00 H new ATOM 0 HG1 THR A 119 -17.708 -22.595 12.795 1.00 0.00 H new ATOM 0 HG21 THR A 119 -18.972 -24.396 13.437 1.00 0.00 H new ATOM 0 HG22 THR A 119 -20.568 -24.611 12.679 1.00 0.00 H new ATOM 0 HG23 THR A 119 -19.088 -24.885 11.730 1.00 0.00 H new ATOM 1896 N VAL A 120 -22.055 -21.356 11.994 1.00 0.00 N ATOM 1897 CA VAL A 120 -23.420 -21.030 12.384 1.00 0.00 C ATOM 1898 C VAL A 120 -23.904 -19.765 11.685 1.00 0.00 C ATOM 1899 O VAL A 120 -25.135 -19.572 11.596 1.00 0.00 O ATOM 1900 CB VAL A 120 -23.539 -20.837 13.908 1.00 0.00 C ATOM 1901 CG1 VAL A 120 -24.997 -20.696 14.318 1.00 0.00 C ATOM 1902 CG2 VAL A 120 -22.880 -21.993 14.645 1.00 0.00 C ATOM 1903 OXT VAL A 120 -23.049 -18.975 11.233 1.00 0.00 O ATOM 0 H VAL A 120 -21.340 -20.779 12.438 1.00 0.00 H new ATOM 0 HA VAL A 120 -24.044 -21.871 12.082 1.00 0.00 H new ATOM 0 HB VAL A 120 -23.020 -19.918 14.180 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -25.060 -20.561 15.398 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -25.434 -19.832 13.818 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -25.544 -21.595 14.033 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -22.974 -21.840 15.720 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -23.369 -22.927 14.368 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -21.825 -22.042 14.376 1.00 0.00 H new TER 1913 VAL A 120