USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 943 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 68 THR OG1 : rot -98:sc= 0.134 USER MOD Set 1.2: A 69 ASN : amide:sc= -1.38 K(o=-1.2,f=-5.8!) USER MOD Set 2.1: A 39 SER OG : rot 130:sc= -0.598 USER MOD Set 2.2: A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 139:sc= 0.00225 (180deg=-0.0661) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -0.0516 X(o=-0.052,f=-0.052) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -2.66! C(o=-2.7!,f=-4.3!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 24:sc= 1.24 USER MOD Single : A 24 THR OG1 : rot -75:sc= -0.216 USER MOD Single : A 26 SER OG : rot -79:sc= 1.27 USER MOD Single : A 27 ASN : amide:sc= -0.18 K(o=-0.18,f=-4.2!) USER MOD Single : A 30 SER OG : rot -35:sc= 0.117 USER MOD Single : A 35 THR OG1 : rot 170:sc= -0.762 USER MOD Single : A 36 HIS : no HD1:sc= -0.0159 X(o=-0.016,f=-0.021) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 167:sc= -1.87 (180deg=-2.71!) USER MOD Single : A 48 LYS NZ :NH3+ -144:sc= -0.117 (180deg=-0.506) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -124:sc= -0.143 (180deg=-0.676) USER MOD Single : A 62 TYR OH : rot 130:sc= -0.97 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0233 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.2 X(o=-0.2,f=-0.46) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.028 USER MOD Single : A 80 SER OG : rot 56:sc= 0.0408 USER MOD Single : A 83 THR OG1 : rot -71:sc= 1.22 USER MOD Single : A 88 LYS NZ :NH3+ 165:sc= 0.0604 (180deg=0.0223) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 74:sc= 1.03 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.208 5.180 -4.559 1.00 14.42 N ATOM 2 CA MET A 1 4.190 3.799 -4.092 1.00 63.10 C ATOM 3 C MET A 1 3.346 2.924 -5.014 1.00 3.24 C ATOM 4 O MET A 1 2.244 3.304 -5.407 1.00 71.01 O ATOM 5 CB MET A 1 3.647 3.727 -2.664 1.00 2.54 C ATOM 6 CG MET A 1 2.152 3.984 -2.568 1.00 51.04 C ATOM 7 SD MET A 1 1.195 2.464 -2.412 1.00 71.25 S ATOM 8 CE MET A 1 -0.078 2.981 -1.263 1.00 45.20 C ATOM 0 H1 MET A 1 4.126 5.823 -3.745 1.00 14.42 H new ATOM 0 H2 MET A 1 5.101 5.366 -5.059 1.00 14.42 H new ATOM 0 H3 MET A 1 3.410 5.338 -5.206 1.00 14.42 H new ATOM 0 HA MET A 1 5.214 3.426 -4.102 1.00 63.10 H new ATOM 0 HB2 MET A 1 3.865 2.742 -2.250 1.00 2.54 H new ATOM 0 HB3 MET A 1 4.173 4.456 -2.047 1.00 2.54 H new ATOM 0 HG2 MET A 1 1.952 4.625 -1.709 1.00 51.04 H new ATOM 0 HG3 MET A 1 1.823 4.527 -3.454 1.00 51.04 H new ATOM 0 HE1 MET A 1 -0.751 2.147 -1.066 1.00 45.20 H new ATOM 0 HE2 MET A 1 0.383 3.303 -0.329 1.00 45.20 H new ATOM 0 HE3 MET A 1 -0.642 3.809 -1.693 1.00 45.20 H new ATOM 18 N ALA A 2 3.872 1.752 -5.354 1.00 73.12 N ATOM 19 CA ALA A 2 3.165 0.823 -6.228 1.00 5.21 C ATOM 20 C ALA A 2 2.950 1.427 -7.612 1.00 24.14 C ATOM 21 O ALA A 2 3.481 2.493 -7.923 1.00 40.22 O ATOM 22 CB ALA A 2 1.833 0.427 -5.610 1.00 32.20 C ATOM 0 H ALA A 2 4.784 1.423 -5.038 1.00 73.12 H new ATOM 0 HA ALA A 2 3.780 -0.070 -6.342 1.00 5.21 H new ATOM 0 HB1 ALA A 2 1.316 -0.267 -6.273 1.00 32.20 H new ATOM 0 HB2 ALA A 2 2.007 -0.053 -4.647 1.00 32.20 H new ATOM 0 HB3 ALA A 2 1.220 1.317 -5.466 1.00 32.20 H new ATOM 28 N ARG A 3 2.170 0.738 -8.438 1.00 11.11 N ATOM 29 CA ARG A 3 1.887 1.206 -9.789 1.00 53.03 C ATOM 30 C ARG A 3 3.167 1.288 -10.616 1.00 11.45 C ATOM 31 O ARG A 3 3.671 2.370 -10.918 1.00 50.14 O ATOM 32 CB ARG A 3 1.206 2.575 -9.746 1.00 3.54 C ATOM 33 CG ARG A 3 0.547 2.970 -11.057 1.00 40.11 C ATOM 34 CD ARG A 3 -0.611 3.929 -10.832 1.00 12.41 C ATOM 35 NE ARG A 3 -1.493 4.005 -11.993 1.00 73.44 N ATOM 36 CZ ARG A 3 -1.155 4.590 -13.137 1.00 24.32 C ATOM 37 NH1 ARG A 3 0.041 5.147 -13.271 1.00 53.34 N ATOM 38 NH2 ARG A 3 -2.012 4.617 -14.149 1.00 14.52 N ATOM 0 H ARG A 3 1.723 -0.146 -8.195 1.00 11.11 H new ATOM 0 HA ARG A 3 1.215 0.489 -10.261 1.00 53.03 H new ATOM 0 HB2 ARG A 3 0.453 2.572 -8.957 1.00 3.54 H new ATOM 0 HB3 ARG A 3 1.945 3.330 -9.479 1.00 3.54 H new ATOM 0 HG2 ARG A 3 1.285 3.436 -11.710 1.00 40.11 H new ATOM 0 HG3 ARG A 3 0.187 2.077 -11.568 1.00 40.11 H new ATOM 0 HD2 ARG A 3 -1.184 3.608 -9.962 1.00 12.41 H new ATOM 0 HD3 ARG A 3 -0.221 4.922 -10.608 1.00 12.41 H new ATOM 0 HE ARG A 3 -2.420 3.586 -11.922 1.00 73.44 H new ATOM 0 HH11 ARG A 3 0.703 5.127 -12.495 1.00 53.34 H new ATOM 0 HH12 ARG A 3 0.299 5.596 -14.150 1.00 53.34 H new ATOM 0 HH21 ARG A 3 -2.932 4.188 -14.050 1.00 14.52 H new ATOM 0 HH22 ARG A 3 -1.751 5.067 -15.027 1.00 14.52 H new ATOM 52 N PRO A 4 3.707 0.119 -10.989 1.00 72.30 N ATOM 53 CA PRO A 4 4.935 0.032 -11.785 1.00 33.20 C ATOM 54 C PRO A 4 4.731 0.508 -13.219 1.00 73.53 C ATOM 55 O PRO A 4 3.680 1.051 -13.559 1.00 50.25 O ATOM 56 CB PRO A 4 5.269 -1.462 -11.759 1.00 40.34 C ATOM 57 CG PRO A 4 3.962 -2.139 -11.532 1.00 13.34 C ATOM 58 CD PRO A 4 3.160 -1.209 -10.663 1.00 74.15 C ATOM 0 HA PRO A 4 5.726 0.667 -11.385 1.00 33.20 H new ATOM 0 HB2 PRO A 4 5.723 -1.782 -12.697 1.00 40.34 H new ATOM 0 HB3 PRO A 4 5.979 -1.695 -10.965 1.00 40.34 H new ATOM 0 HG2 PRO A 4 3.451 -2.329 -12.476 1.00 13.34 H new ATOM 0 HG3 PRO A 4 4.102 -3.104 -11.046 1.00 13.34 H new ATOM 0 HD2 PRO A 4 2.095 -1.270 -10.885 1.00 74.15 H new ATOM 0 HD3 PRO A 4 3.279 -1.444 -9.605 1.00 74.15 H new ATOM 66 N SER A 5 5.742 0.299 -14.057 1.00 33.14 N ATOM 67 CA SER A 5 5.674 0.710 -15.454 1.00 61.21 C ATOM 68 C SER A 5 6.851 0.144 -16.244 1.00 55.40 C ATOM 69 O SER A 5 7.657 -0.619 -15.716 1.00 23.15 O ATOM 70 CB SER A 5 5.661 2.236 -15.559 1.00 1.01 C ATOM 71 OG SER A 5 4.466 2.695 -16.166 1.00 41.43 O ATOM 0 H SER A 5 6.618 -0.152 -13.792 1.00 33.14 H new ATOM 0 HA SER A 5 4.750 0.316 -15.879 1.00 61.21 H new ATOM 0 HB2 SER A 5 5.759 2.673 -14.565 1.00 1.01 H new ATOM 0 HB3 SER A 5 6.520 2.571 -16.140 1.00 1.01 H new ATOM 0 HG SER A 5 4.481 3.673 -16.220 1.00 41.43 H new ATOM 77 N ASN A 6 6.940 0.526 -17.514 1.00 63.10 N ATOM 78 CA ASN A 6 8.017 0.057 -18.379 1.00 2.24 C ATOM 79 C ASN A 6 8.631 1.215 -19.159 1.00 40.35 C ATOM 80 O ASN A 6 8.158 2.349 -19.083 1.00 41.44 O ATOM 81 CB ASN A 6 7.496 -1.006 -19.347 1.00 75.03 C ATOM 82 CG ASN A 6 6.668 -2.068 -18.649 1.00 63.21 C ATOM 83 OD1 ASN A 6 5.443 -2.091 -18.763 1.00 52.14 O ATOM 84 ND2 ASN A 6 7.337 -2.955 -17.921 1.00 10.43 N ATOM 0 H ASN A 6 6.280 1.158 -17.967 1.00 63.10 H new ATOM 0 HA ASN A 6 8.790 -0.384 -17.749 1.00 2.24 H new ATOM 0 HB2 ASN A 6 6.892 -0.527 -20.118 1.00 75.03 H new ATOM 0 HB3 ASN A 6 8.339 -1.479 -19.851 1.00 75.03 H new ATOM 0 HD21 ASN A 6 6.834 -3.693 -17.428 1.00 10.43 H new ATOM 0 HD22 ASN A 6 8.353 -2.898 -17.855 1.00 10.43 H new ATOM 91 N VAL A 7 9.687 0.921 -19.911 1.00 4.21 N ATOM 92 CA VAL A 7 10.365 1.937 -20.708 1.00 25.34 C ATOM 93 C VAL A 7 10.986 3.009 -19.819 1.00 31.33 C ATOM 94 O VAL A 7 10.281 3.839 -19.244 1.00 44.01 O ATOM 95 CB VAL A 7 9.400 2.607 -21.703 1.00 34.50 C ATOM 96 CG1 VAL A 7 10.160 3.517 -22.655 1.00 63.21 C ATOM 97 CG2 VAL A 7 8.613 1.555 -22.471 1.00 45.14 C ATOM 0 H VAL A 7 10.092 -0.012 -19.985 1.00 4.21 H new ATOM 0 HA VAL A 7 11.153 1.429 -21.264 1.00 25.34 H new ATOM 0 HB VAL A 7 8.694 3.219 -21.142 1.00 34.50 H new ATOM 0 HG11 VAL A 7 9.461 3.981 -23.350 1.00 63.21 H new ATOM 0 HG12 VAL A 7 10.674 4.292 -22.086 1.00 63.21 H new ATOM 0 HG13 VAL A 7 10.891 2.931 -23.212 1.00 63.21 H new ATOM 0 HG21 VAL A 7 7.936 2.046 -23.170 1.00 45.14 H new ATOM 0 HG22 VAL A 7 9.302 0.915 -23.022 1.00 45.14 H new ATOM 0 HG23 VAL A 7 8.037 0.949 -21.772 1.00 45.14 H new ATOM 107 N LYS A 8 12.310 2.986 -19.710 1.00 31.31 N ATOM 108 CA LYS A 8 13.028 3.956 -18.892 1.00 51.54 C ATOM 109 C LYS A 8 12.644 3.820 -17.423 1.00 12.14 C ATOM 110 O LYS A 8 11.607 3.253 -17.077 1.00 52.32 O ATOM 111 CB LYS A 8 12.735 5.378 -19.377 1.00 41.13 C ATOM 112 CG LYS A 8 13.864 5.988 -20.190 1.00 1.43 C ATOM 113 CD LYS A 8 13.581 7.441 -20.534 1.00 4.12 C ATOM 114 CE LYS A 8 14.508 7.944 -21.630 1.00 54.54 C ATOM 115 NZ LYS A 8 13.822 8.905 -22.538 1.00 54.22 N ATOM 0 H LYS A 8 12.908 2.305 -20.178 1.00 31.31 H new ATOM 0 HA LYS A 8 14.095 3.757 -18.990 1.00 51.54 H new ATOM 0 HB2 LYS A 8 11.828 5.367 -19.981 1.00 41.13 H new ATOM 0 HB3 LYS A 8 12.535 6.013 -18.514 1.00 41.13 H new ATOM 0 HG2 LYS A 8 14.796 5.921 -19.628 1.00 1.43 H new ATOM 0 HG3 LYS A 8 14.003 5.416 -21.108 1.00 1.43 H new ATOM 0 HD2 LYS A 8 12.545 7.545 -20.856 1.00 4.12 H new ATOM 0 HD3 LYS A 8 13.701 8.057 -19.643 1.00 4.12 H new ATOM 0 HE2 LYS A 8 15.375 8.426 -21.179 1.00 54.54 H new ATOM 0 HE3 LYS A 8 14.878 7.098 -22.209 1.00 54.54 H new ATOM 0 HZ1 LYS A 8 14.487 9.225 -23.271 1.00 54.22 H new ATOM 0 HZ2 LYS A 8 13.009 8.438 -22.988 1.00 54.22 H new ATOM 0 HZ3 LYS A 8 13.491 9.724 -21.990 1.00 54.22 H new ATOM 129 N PRO A 9 13.497 4.352 -16.535 1.00 41.31 N ATOM 130 CA PRO A 9 13.267 4.304 -15.088 1.00 53.12 C ATOM 131 C PRO A 9 12.108 5.196 -14.656 1.00 34.42 C ATOM 132 O PRO A 9 11.235 4.772 -13.898 1.00 24.42 O ATOM 133 CB PRO A 9 14.584 4.818 -14.502 1.00 61.10 C ATOM 134 CG PRO A 9 15.169 5.670 -15.575 1.00 1.44 C ATOM 135 CD PRO A 9 14.752 5.043 -16.876 1.00 24.31 C ATOM 0 HA PRO A 9 12.997 3.303 -14.751 1.00 53.12 H new ATOM 0 HB2 PRO A 9 14.415 5.390 -13.590 1.00 61.10 H new ATOM 0 HB3 PRO A 9 15.250 3.995 -14.243 1.00 61.10 H new ATOM 0 HG2 PRO A 9 14.805 6.695 -15.501 1.00 1.44 H new ATOM 0 HG3 PRO A 9 16.255 5.711 -15.492 1.00 1.44 H new ATOM 0 HD2 PRO A 9 14.600 5.792 -17.653 1.00 24.31 H new ATOM 0 HD3 PRO A 9 15.505 4.348 -17.247 1.00 24.31 H new ATOM 143 N SER A 10 12.105 6.432 -15.143 1.00 15.31 N ATOM 144 CA SER A 10 11.054 7.385 -14.804 1.00 32.23 C ATOM 145 C SER A 10 10.921 7.531 -13.291 1.00 11.21 C ATOM 146 O SER A 10 9.933 7.115 -12.686 1.00 12.24 O ATOM 147 CB SER A 10 9.719 6.939 -15.403 1.00 71.25 C ATOM 148 OG SER A 10 8.826 8.032 -15.530 1.00 61.12 O ATOM 0 H SER A 10 12.818 6.798 -15.774 1.00 15.31 H new ATOM 0 HA SER A 10 11.327 8.353 -15.223 1.00 32.23 H new ATOM 0 HB2 SER A 10 9.888 6.488 -16.381 1.00 71.25 H new ATOM 0 HB3 SER A 10 9.272 6.172 -14.771 1.00 71.25 H new ATOM 0 HG SER A 10 7.981 7.721 -15.917 1.00 61.12 H new ATOM 154 N PRO A 11 11.940 8.137 -12.664 1.00 43.23 N ATOM 155 CA PRO A 11 11.962 8.354 -11.215 1.00 20.34 C ATOM 156 C PRO A 11 10.941 9.394 -10.769 1.00 13.55 C ATOM 157 O PRO A 11 10.346 10.089 -11.594 1.00 21.14 O ATOM 158 CB PRO A 11 13.385 8.854 -10.952 1.00 33.31 C ATOM 159 CG PRO A 11 13.816 9.463 -12.241 1.00 63.22 C ATOM 160 CD PRO A 11 13.150 8.658 -13.323 1.00 0.22 C ATOM 0 HA PRO A 11 11.705 7.449 -10.664 1.00 20.34 H new ATOM 0 HB2 PRO A 11 13.405 9.584 -10.143 1.00 33.31 H new ATOM 0 HB3 PRO A 11 14.044 8.037 -10.660 1.00 33.31 H new ATOM 0 HG2 PRO A 11 13.520 10.511 -12.296 1.00 63.22 H new ATOM 0 HG3 PRO A 11 14.901 9.432 -12.344 1.00 63.22 H new ATOM 0 HD2 PRO A 11 12.903 9.274 -14.188 1.00 0.22 H new ATOM 0 HD3 PRO A 11 13.793 7.853 -13.678 1.00 0.22 H new ATOM 168 N HIS A 12 10.742 9.498 -9.458 1.00 52.13 N ATOM 169 CA HIS A 12 9.792 10.456 -8.903 1.00 23.14 C ATOM 170 C HIS A 12 10.416 11.231 -7.746 1.00 24.20 C ATOM 171 O HIS A 12 10.693 10.669 -6.686 1.00 62.43 O ATOM 172 CB HIS A 12 8.529 9.737 -8.428 1.00 23.14 C ATOM 173 CG HIS A 12 8.802 8.610 -7.479 1.00 43.15 C ATOM 174 ND1 HIS A 12 8.434 8.638 -6.151 1.00 1.41 N ATOM 175 CD2 HIS A 12 9.410 7.416 -7.675 1.00 11.44 C ATOM 176 CE1 HIS A 12 8.805 7.512 -5.569 1.00 70.35 C ATOM 177 NE2 HIS A 12 9.399 6.753 -6.473 1.00 30.45 N ATOM 0 H HIS A 12 11.225 8.931 -8.761 1.00 52.13 H new ATOM 0 HA HIS A 12 9.525 11.163 -9.689 1.00 23.14 H new ATOM 0 HB2 HIS A 12 7.871 10.458 -7.943 1.00 23.14 H new ATOM 0 HB3 HIS A 12 7.994 9.350 -9.295 1.00 23.14 H new ATOM 0 HD2 HIS A 12 9.826 7.053 -8.603 1.00 11.44 H new ATOM 0 HE1 HIS A 12 8.649 7.255 -4.532 1.00 70.35 H new ATOM 0 HE2 HIS A 12 9.787 5.825 -6.305 1.00 30.45 H new ATOM 185 N VAL A 13 10.636 12.525 -7.957 1.00 61.30 N ATOM 186 CA VAL A 13 11.227 13.377 -6.932 1.00 62.13 C ATOM 187 C VAL A 13 10.301 13.512 -5.728 1.00 64.55 C ATOM 188 O VAL A 13 9.081 13.576 -5.876 1.00 34.42 O ATOM 189 CB VAL A 13 11.543 14.780 -7.483 1.00 12.32 C ATOM 190 CG1 VAL A 13 12.513 14.690 -8.651 1.00 53.11 C ATOM 191 CG2 VAL A 13 10.262 15.490 -7.896 1.00 4.52 C ATOM 0 H VAL A 13 10.414 13.006 -8.829 1.00 61.30 H new ATOM 0 HA VAL A 13 12.156 12.899 -6.620 1.00 62.13 H new ATOM 0 HB VAL A 13 12.017 15.363 -6.694 1.00 12.32 H new ATOM 0 HG11 VAL A 13 12.724 15.691 -9.027 1.00 53.11 H new ATOM 0 HG12 VAL A 13 13.441 14.224 -8.318 1.00 53.11 H new ATOM 0 HG13 VAL A 13 12.070 14.090 -9.446 1.00 53.11 H new ATOM 0 HG21 VAL A 13 10.503 16.480 -8.283 1.00 4.52 H new ATOM 0 HG22 VAL A 13 9.758 14.911 -8.670 1.00 4.52 H new ATOM 0 HG23 VAL A 13 9.606 15.589 -7.031 1.00 4.52 H new ATOM 201 N ILE A 14 10.890 13.554 -4.538 1.00 43.41 N ATOM 202 CA ILE A 14 10.118 13.683 -3.309 1.00 2.24 C ATOM 203 C ILE A 14 10.561 14.902 -2.507 1.00 13.42 C ATOM 204 O ILE A 14 11.713 15.329 -2.589 1.00 13.11 O ATOM 205 CB ILE A 14 10.250 12.427 -2.427 1.00 1.42 C ATOM 206 CG1 ILE A 14 10.063 11.164 -3.269 1.00 72.04 C ATOM 207 CG2 ILE A 14 9.238 12.468 -1.292 1.00 12.52 C ATOM 208 CD1 ILE A 14 8.751 11.128 -4.021 1.00 52.24 C ATOM 0 H ILE A 14 11.899 13.501 -4.399 1.00 43.41 H new ATOM 0 HA ILE A 14 9.075 13.803 -3.603 1.00 2.24 H new ATOM 0 HB ILE A 14 11.251 12.408 -1.995 1.00 1.42 H new ATOM 0 HG12 ILE A 14 10.884 11.088 -3.982 1.00 72.04 H new ATOM 0 HG13 ILE A 14 10.124 10.291 -2.619 1.00 72.04 H new ATOM 0 HG21 ILE A 14 9.344 11.574 -0.678 1.00 12.52 H new ATOM 0 HG22 ILE A 14 9.414 13.352 -0.679 1.00 12.52 H new ATOM 0 HG23 ILE A 14 8.230 12.508 -1.705 1.00 12.52 H new ATOM 0 HD11 ILE A 14 8.687 10.204 -4.596 1.00 52.24 H new ATOM 0 HD12 ILE A 14 7.924 11.172 -3.312 1.00 52.24 H new ATOM 0 HD13 ILE A 14 8.696 11.981 -4.697 1.00 52.24 H new ATOM 220 N LYS A 15 9.638 15.459 -1.729 1.00 61.03 N ATOM 221 CA LYS A 15 9.932 16.628 -0.909 1.00 21.23 C ATOM 222 C LYS A 15 8.818 16.876 0.104 1.00 64.04 C ATOM 223 O LYS A 15 8.138 17.900 0.053 1.00 55.31 O ATOM 224 CB LYS A 15 10.117 17.863 -1.792 1.00 42.44 C ATOM 225 CG LYS A 15 8.978 18.087 -2.771 1.00 53.34 C ATOM 226 CD LYS A 15 8.961 19.515 -3.291 1.00 3.11 C ATOM 227 CE LYS A 15 7.830 19.734 -4.284 1.00 64.23 C ATOM 228 NZ LYS A 15 6.594 20.229 -3.618 1.00 5.35 N ATOM 0 H LYS A 15 8.680 15.119 -1.650 1.00 61.03 H new ATOM 0 HA LYS A 15 10.857 16.436 -0.366 1.00 21.23 H new ATOM 0 HB2 LYS A 15 10.216 18.742 -1.156 1.00 42.44 H new ATOM 0 HB3 LYS A 15 11.049 17.765 -2.348 1.00 42.44 H new ATOM 0 HG2 LYS A 15 9.075 17.395 -3.608 1.00 53.34 H new ATOM 0 HG3 LYS A 15 8.029 17.865 -2.283 1.00 53.34 H new ATOM 0 HD2 LYS A 15 8.852 20.206 -2.455 1.00 3.11 H new ATOM 0 HD3 LYS A 15 9.914 19.741 -3.769 1.00 3.11 H new ATOM 0 HE2 LYS A 15 8.146 20.451 -5.042 1.00 64.23 H new ATOM 0 HE3 LYS A 15 7.614 18.799 -4.801 1.00 64.23 H new ATOM 0 HZ1 LYS A 15 5.847 20.365 -4.329 1.00 5.35 H new ATOM 0 HZ2 LYS A 15 6.277 19.533 -2.913 1.00 5.35 H new ATOM 0 HZ3 LYS A 15 6.793 21.134 -3.146 1.00 5.35 H new ATOM 242 N SER A 16 8.639 15.933 1.023 1.00 64.21 N ATOM 243 CA SER A 16 7.607 16.049 2.046 1.00 74.42 C ATOM 244 C SER A 16 7.758 14.953 3.097 1.00 52.11 C ATOM 245 O SER A 16 8.244 13.860 2.805 1.00 20.55 O ATOM 246 CB SER A 16 6.218 15.972 1.409 1.00 34.02 C ATOM 247 OG SER A 16 5.792 17.246 0.958 1.00 3.32 O ATOM 0 H SER A 16 9.195 15.080 1.080 1.00 64.21 H new ATOM 0 HA SER A 16 7.722 17.016 2.536 1.00 74.42 H new ATOM 0 HB2 SER A 16 6.237 15.274 0.572 1.00 34.02 H new ATOM 0 HB3 SER A 16 5.503 15.582 2.134 1.00 34.02 H new ATOM 0 HG SER A 16 6.574 17.812 0.791 1.00 3.32 H new ATOM 253 N LEU A 17 7.338 15.254 4.321 1.00 41.53 N ATOM 254 CA LEU A 17 7.426 14.296 5.417 1.00 0.43 C ATOM 255 C LEU A 17 6.570 13.066 5.135 1.00 32.13 C ATOM 256 O LEU A 17 7.061 11.938 5.158 1.00 3.13 O ATOM 257 CB LEU A 17 6.984 14.950 6.728 1.00 23.40 C ATOM 258 CG LEU A 17 7.736 14.509 7.984 1.00 4.24 C ATOM 259 CD1 LEU A 17 9.156 15.055 7.975 1.00 31.25 C ATOM 260 CD2 LEU A 17 6.997 14.962 9.235 1.00 71.21 C ATOM 0 H LEU A 17 6.933 16.154 4.579 1.00 41.53 H new ATOM 0 HA LEU A 17 8.465 13.979 5.508 1.00 0.43 H new ATOM 0 HB2 LEU A 17 7.090 16.030 6.626 1.00 23.40 H new ATOM 0 HB3 LEU A 17 5.923 14.746 6.873 1.00 23.40 H new ATOM 0 HG LEU A 17 7.787 13.420 7.990 1.00 4.24 H new ATOM 0 HD11 LEU A 17 9.676 14.731 8.876 1.00 31.25 H new ATOM 0 HD12 LEU A 17 9.684 14.682 7.097 1.00 31.25 H new ATOM 0 HD13 LEU A 17 9.127 16.144 7.945 1.00 31.25 H new ATOM 0 HD21 LEU A 17 7.547 14.639 10.119 1.00 71.21 H new ATOM 0 HD22 LEU A 17 6.915 16.049 9.235 1.00 71.21 H new ATOM 0 HD23 LEU A 17 6.000 14.523 9.248 1.00 71.21 H new ATOM 272 N GLU A 18 5.288 13.292 4.867 1.00 15.23 N ATOM 273 CA GLU A 18 4.364 12.201 4.579 1.00 10.23 C ATOM 274 C GLU A 18 4.865 11.359 3.410 1.00 72.14 C ATOM 275 O GLU A 18 4.858 10.130 3.469 1.00 35.11 O ATOM 276 CB GLU A 18 2.971 12.752 4.266 1.00 21.20 C ATOM 277 CG GLU A 18 1.853 12.036 5.006 1.00 43.40 C ATOM 278 CD GLU A 18 1.055 12.967 5.898 1.00 41.30 C ATOM 279 OE1 GLU A 18 0.100 13.596 5.395 1.00 62.11 O ATOM 280 OE2 GLU A 18 1.385 13.068 7.098 1.00 31.41 O ATOM 0 H GLU A 18 4.866 14.220 4.843 1.00 15.23 H new ATOM 0 HA GLU A 18 4.305 11.566 5.463 1.00 10.23 H new ATOM 0 HB2 GLU A 18 2.943 13.812 4.520 1.00 21.20 H new ATOM 0 HB3 GLU A 18 2.792 12.676 3.193 1.00 21.20 H new ATOM 0 HG2 GLU A 18 1.184 11.570 4.283 1.00 43.40 H new ATOM 0 HG3 GLU A 18 2.277 11.235 5.611 1.00 43.40 H new ATOM 287 N GLU A 19 5.298 12.030 2.347 1.00 4.33 N ATOM 288 CA GLU A 19 5.801 11.344 1.163 1.00 23.53 C ATOM 289 C GLU A 19 7.021 10.492 1.505 1.00 50.40 C ATOM 290 O GLU A 19 7.210 9.408 0.953 1.00 73.42 O ATOM 291 CB GLU A 19 6.161 12.356 0.074 1.00 70.44 C ATOM 292 CG GLU A 19 6.101 11.783 -1.333 1.00 24.04 C ATOM 293 CD GLU A 19 6.031 12.859 -2.398 1.00 51.33 C ATOM 294 OE1 GLU A 19 6.287 14.037 -2.069 1.00 73.33 O ATOM 295 OE2 GLU A 19 5.720 12.525 -3.560 1.00 71.04 O ATOM 0 H GLU A 19 5.310 13.048 2.282 1.00 4.33 H new ATOM 0 HA GLU A 19 5.013 10.688 0.793 1.00 23.53 H new ATOM 0 HB2 GLU A 19 5.482 13.206 0.141 1.00 70.44 H new ATOM 0 HB3 GLU A 19 7.166 12.736 0.260 1.00 70.44 H new ATOM 0 HG2 GLU A 19 6.980 11.162 -1.506 1.00 24.04 H new ATOM 0 HG3 GLU A 19 5.230 11.134 -1.420 1.00 24.04 H new ATOM 302 N LEU A 20 7.846 10.992 2.418 1.00 4.01 N ATOM 303 CA LEU A 20 9.049 10.279 2.834 1.00 21.21 C ATOM 304 C LEU A 20 8.692 8.974 3.538 1.00 21.15 C ATOM 305 O LEU A 20 9.025 7.889 3.062 1.00 22.42 O ATOM 306 CB LEU A 20 9.892 11.157 3.760 1.00 1.41 C ATOM 307 CG LEU A 20 11.408 11.047 3.593 1.00 1.50 C ATOM 308 CD1 LEU A 20 11.862 11.786 2.344 1.00 63.14 C ATOM 309 CD2 LEU A 20 12.121 11.589 4.824 1.00 71.04 C ATOM 0 H LEU A 20 7.704 11.888 2.884 1.00 4.01 H new ATOM 0 HA LEU A 20 9.628 10.043 1.941 1.00 21.21 H new ATOM 0 HB2 LEU A 20 9.604 12.197 3.604 1.00 1.41 H new ATOM 0 HB3 LEU A 20 9.641 10.908 4.791 1.00 1.41 H new ATOM 0 HG LEU A 20 11.667 9.994 3.482 1.00 1.50 H new ATOM 0 HD11 LEU A 20 12.943 11.697 2.241 1.00 63.14 H new ATOM 0 HD12 LEU A 20 11.378 11.353 1.469 1.00 63.14 H new ATOM 0 HD13 LEU A 20 11.591 12.839 2.425 1.00 63.14 H new ATOM 0 HD21 LEU A 20 13.199 11.503 4.688 1.00 71.04 H new ATOM 0 HD22 LEU A 20 11.856 12.637 4.966 1.00 71.04 H new ATOM 0 HD23 LEU A 20 11.819 11.016 5.701 1.00 71.04 H new ATOM 321 N ARG A 21 8.011 9.087 4.674 1.00 52.51 N ATOM 322 CA ARG A 21 7.607 7.917 5.443 1.00 24.43 C ATOM 323 C ARG A 21 6.738 6.986 4.602 1.00 3.32 C ATOM 324 O ARG A 21 6.652 5.789 4.873 1.00 1.10 O ATOM 325 CB ARG A 21 6.848 8.343 6.701 1.00 51.22 C ATOM 326 CG ARG A 21 7.514 7.901 7.994 1.00 53.42 C ATOM 327 CD ARG A 21 6.490 7.652 9.091 1.00 43.15 C ATOM 328 NE ARG A 21 5.646 6.497 8.799 1.00 54.14 N ATOM 329 CZ ARG A 21 6.032 5.239 8.981 1.00 12.32 C ATOM 330 NH1 ARG A 21 7.243 4.976 9.453 1.00 74.12 N ATOM 331 NH2 ARG A 21 5.206 4.242 8.692 1.00 31.22 N ATOM 0 H ARG A 21 7.728 9.978 5.082 1.00 52.51 H new ATOM 0 HA ARG A 21 8.508 7.378 5.736 1.00 24.43 H new ATOM 0 HB2 ARG A 21 6.750 9.429 6.706 1.00 51.22 H new ATOM 0 HB3 ARG A 21 5.839 7.932 6.663 1.00 51.22 H new ATOM 0 HG2 ARG A 21 8.087 6.991 7.817 1.00 53.42 H new ATOM 0 HG3 ARG A 21 8.220 8.664 8.320 1.00 53.42 H new ATOM 0 HD2 ARG A 21 7.005 7.494 10.039 1.00 43.15 H new ATOM 0 HD3 ARG A 21 5.865 8.537 9.211 1.00 43.15 H new ATOM 0 HE ARG A 21 4.708 6.665 8.435 1.00 54.14 H new ATOM 0 HH11 ARG A 21 7.880 5.740 9.677 1.00 74.12 H new ATOM 0 HH12 ARG A 21 7.537 4.009 9.592 1.00 74.12 H new ATOM 0 HH21 ARG A 21 4.274 4.441 8.330 1.00 31.22 H new ATOM 0 HH22 ARG A 21 5.503 3.276 8.832 1.00 31.22 H new ATOM 345 N GLU A 22 6.096 7.546 3.582 1.00 42.42 N ATOM 346 CA GLU A 22 5.233 6.767 2.703 1.00 71.44 C ATOM 347 C GLU A 22 6.059 5.955 1.709 1.00 41.44 C ATOM 348 O GLU A 22 5.905 4.739 1.604 1.00 32.00 O ATOM 349 CB GLU A 22 4.269 7.687 1.950 1.00 30.55 C ATOM 350 CG GLU A 22 3.413 6.963 0.924 1.00 4.20 C ATOM 351 CD GLU A 22 1.928 7.148 1.168 1.00 23.54 C ATOM 352 OE1 GLU A 22 1.479 6.893 2.306 1.00 52.34 O ATOM 353 OE2 GLU A 22 1.216 7.545 0.223 1.00 12.44 O ATOM 0 H GLU A 22 6.157 8.536 3.344 1.00 42.42 H new ATOM 0 HA GLU A 22 4.658 6.077 3.320 1.00 71.44 H new ATOM 0 HB2 GLU A 22 3.617 8.183 2.669 1.00 30.55 H new ATOM 0 HB3 GLU A 22 4.842 8.467 1.448 1.00 30.55 H new ATOM 0 HG2 GLU A 22 3.662 7.327 -0.073 1.00 4.20 H new ATOM 0 HG3 GLU A 22 3.651 5.899 0.943 1.00 4.20 H new ATOM 360 N ALA A 23 6.936 6.639 0.980 1.00 31.23 N ATOM 361 CA ALA A 23 7.787 5.983 -0.004 1.00 64.21 C ATOM 362 C ALA A 23 8.619 4.878 0.639 1.00 70.14 C ATOM 363 O ALA A 23 9.054 3.942 -0.034 1.00 3.42 O ATOM 364 CB ALA A 23 8.693 7.001 -0.681 1.00 54.23 C ATOM 0 H ALA A 23 7.075 7.647 1.053 1.00 31.23 H new ATOM 0 HA ALA A 23 7.144 5.527 -0.757 1.00 64.21 H new ATOM 0 HB1 ALA A 23 9.323 6.497 -1.414 1.00 54.23 H new ATOM 0 HB2 ALA A 23 8.084 7.753 -1.183 1.00 54.23 H new ATOM 0 HB3 ALA A 23 9.322 7.483 0.068 1.00 54.23 H new ATOM 370 N THR A 24 8.837 4.992 1.945 1.00 23.41 N ATOM 371 CA THR A 24 9.618 4.004 2.678 1.00 23.54 C ATOM 372 C THR A 24 8.815 2.729 2.910 1.00 53.03 C ATOM 373 O THR A 24 9.379 1.667 3.171 1.00 40.04 O ATOM 374 CB THR A 24 10.088 4.555 4.038 1.00 74.10 C ATOM 375 OG1 THR A 24 9.277 5.671 4.420 1.00 14.42 O ATOM 376 CG2 THR A 24 11.547 4.980 3.975 1.00 20.41 C ATOM 0 H THR A 24 8.484 5.759 2.517 1.00 23.41 H new ATOM 0 HA THR A 24 10.490 3.775 2.066 1.00 23.54 H new ATOM 0 HB THR A 24 9.989 3.763 4.780 1.00 74.10 H new ATOM 0 HG1 THR A 24 9.530 6.456 3.890 1.00 14.42 H new ATOM 0 HG21 THR A 24 11.856 5.366 4.947 1.00 20.41 H new ATOM 0 HG22 THR A 24 12.165 4.122 3.712 1.00 20.41 H new ATOM 0 HG23 THR A 24 11.667 5.758 3.221 1.00 20.41 H new ATOM 384 N ALA A 25 7.494 2.842 2.812 1.00 62.34 N ATOM 385 CA ALA A 25 6.613 1.697 3.008 1.00 42.05 C ATOM 386 C ALA A 25 6.161 1.117 1.672 1.00 40.34 C ATOM 387 O ALA A 25 5.242 0.300 1.618 1.00 52.42 O ATOM 388 CB ALA A 25 5.408 2.096 3.847 1.00 64.12 C ATOM 0 H ALA A 25 7.011 3.714 2.598 1.00 62.34 H new ATOM 0 HA ALA A 25 7.172 0.926 3.538 1.00 42.05 H new ATOM 0 HB1 ALA A 25 4.759 1.232 3.985 1.00 64.12 H new ATOM 0 HB2 ALA A 25 5.745 2.456 4.819 1.00 64.12 H new ATOM 0 HB3 ALA A 25 4.856 2.886 3.338 1.00 64.12 H new ATOM 394 N SER A 26 6.812 1.546 0.595 1.00 64.40 N ATOM 395 CA SER A 26 6.474 1.072 -0.742 1.00 52.10 C ATOM 396 C SER A 26 6.911 -0.377 -0.932 1.00 35.43 C ATOM 397 O SER A 26 7.651 -0.925 -0.117 1.00 25.42 O ATOM 398 CB SER A 26 7.132 1.958 -1.802 1.00 21.24 C ATOM 399 OG SER A 26 8.544 1.919 -1.693 1.00 5.44 O ATOM 0 H SER A 26 7.576 2.221 0.622 1.00 64.40 H new ATOM 0 HA SER A 26 5.391 1.124 -0.856 1.00 52.10 H new ATOM 0 HB2 SER A 26 6.831 1.626 -2.796 1.00 21.24 H new ATOM 0 HB3 SER A 26 6.784 2.985 -1.690 1.00 21.24 H new ATOM 0 HG SER A 26 8.832 2.500 -0.958 1.00 5.44 H new ATOM 405 N ASN A 27 6.445 -0.992 -2.014 1.00 71.21 N ATOM 406 CA ASN A 27 6.786 -2.379 -2.312 1.00 1.50 C ATOM 407 C ASN A 27 8.001 -2.454 -3.232 1.00 74.13 C ATOM 408 O ASN A 27 8.039 -3.262 -4.161 1.00 3.23 O ATOM 409 CB ASN A 27 5.597 -3.091 -2.959 1.00 54.42 C ATOM 410 CG ASN A 27 5.339 -2.615 -4.376 1.00 65.42 C ATOM 411 OD1 ASN A 27 5.154 -1.423 -4.619 1.00 3.22 O ATOM 412 ND2 ASN A 27 5.327 -3.549 -5.320 1.00 73.41 N ATOM 0 H ASN A 27 5.830 -0.552 -2.699 1.00 71.21 H new ATOM 0 HA ASN A 27 7.031 -2.877 -1.374 1.00 1.50 H new ATOM 0 HB2 ASN A 27 5.781 -4.165 -2.967 1.00 54.42 H new ATOM 0 HB3 ASN A 27 4.705 -2.925 -2.355 1.00 54.42 H new ATOM 0 HD21 ASN A 27 5.160 -3.289 -6.292 1.00 73.41 H new ATOM 0 HD22 ASN A 27 5.485 -4.526 -5.073 1.00 73.41 H new ATOM 419 N ARG A 28 8.990 -1.608 -2.968 1.00 4.34 N ATOM 420 CA ARG A 28 10.206 -1.578 -3.772 1.00 11.00 C ATOM 421 C ARG A 28 11.394 -1.096 -2.944 1.00 52.14 C ATOM 422 O ARG A 28 11.288 -0.925 -1.730 1.00 13.34 O ATOM 423 CB ARG A 28 10.016 -0.670 -4.988 1.00 50.23 C ATOM 424 CG ARG A 28 8.846 -1.071 -5.871 1.00 71.45 C ATOM 425 CD ARG A 28 8.897 -0.367 -7.218 1.00 61.12 C ATOM 426 NE ARG A 28 8.356 -1.197 -8.291 1.00 20.40 N ATOM 427 CZ ARG A 28 8.996 -2.241 -8.807 1.00 1.13 C ATOM 428 NH1 ARG A 28 10.194 -2.580 -8.350 1.00 34.33 N ATOM 429 NH2 ARG A 28 8.438 -2.948 -9.781 1.00 41.32 N ATOM 0 H ARG A 28 8.974 -0.933 -2.203 1.00 4.34 H new ATOM 0 HA ARG A 28 10.411 -2.593 -4.113 1.00 11.00 H new ATOM 0 HB2 ARG A 28 9.868 0.354 -4.646 1.00 50.23 H new ATOM 0 HB3 ARG A 28 10.929 -0.678 -5.583 1.00 50.23 H new ATOM 0 HG2 ARG A 28 8.857 -2.150 -6.023 1.00 71.45 H new ATOM 0 HG3 ARG A 28 7.910 -0.829 -5.368 1.00 71.45 H new ATOM 0 HD2 ARG A 28 8.334 0.565 -7.162 1.00 61.12 H new ATOM 0 HD3 ARG A 28 9.929 -0.102 -7.450 1.00 61.12 H new ATOM 0 HE ARG A 28 7.436 -0.962 -8.665 1.00 20.40 H new ATOM 0 HH11 ARG A 28 10.626 -2.039 -7.601 1.00 34.33 H new ATOM 0 HH12 ARG A 28 10.683 -3.382 -8.748 1.00 34.33 H new ATOM 0 HH21 ARG A 28 7.517 -2.690 -10.135 1.00 41.32 H new ATOM 0 HH22 ARG A 28 8.930 -3.749 -10.176 1.00 41.32 H new ATOM 443 N ILE A 29 12.523 -0.880 -3.610 1.00 42.22 N ATOM 444 CA ILE A 29 13.730 -0.417 -2.936 1.00 61.23 C ATOM 445 C ILE A 29 14.204 0.914 -3.510 1.00 20.14 C ATOM 446 O ILE A 29 14.742 0.969 -4.615 1.00 62.13 O ATOM 447 CB ILE A 29 14.869 -1.448 -3.051 1.00 40.53 C ATOM 448 CG1 ILE A 29 14.418 -2.802 -2.502 1.00 30.33 C ATOM 449 CG2 ILE A 29 16.105 -0.955 -2.313 1.00 70.32 C ATOM 450 CD1 ILE A 29 13.731 -3.673 -3.530 1.00 74.01 C ATOM 0 H ILE A 29 12.627 -1.018 -4.615 1.00 42.22 H new ATOM 0 HA ILE A 29 13.474 -0.286 -1.885 1.00 61.23 H new ATOM 0 HB ILE A 29 15.123 -1.571 -4.104 1.00 40.53 H new ATOM 0 HG12 ILE A 29 15.285 -3.333 -2.109 1.00 30.33 H new ATOM 0 HG13 ILE A 29 13.739 -2.638 -1.665 1.00 30.33 H new ATOM 0 HG21 ILE A 29 16.901 -1.694 -2.403 1.00 70.32 H new ATOM 0 HG22 ILE A 29 16.435 -0.011 -2.746 1.00 70.32 H new ATOM 0 HG23 ILE A 29 15.865 -0.807 -1.260 1.00 70.32 H new ATOM 0 HD11 ILE A 29 13.439 -4.617 -3.070 1.00 74.01 H new ATOM 0 HD12 ILE A 29 12.844 -3.162 -3.905 1.00 74.01 H new ATOM 0 HD13 ILE A 29 14.414 -3.868 -4.356 1.00 74.01 H new ATOM 462 N SER A 30 14.002 1.985 -2.749 1.00 53.22 N ATOM 463 CA SER A 30 14.407 3.317 -3.182 1.00 54.51 C ATOM 464 C SER A 30 15.684 3.754 -2.472 1.00 43.51 C ATOM 465 O SER A 30 15.968 3.319 -1.356 1.00 42.21 O ATOM 466 CB SER A 30 13.289 4.326 -2.912 1.00 13.34 C ATOM 467 OG SER A 30 12.017 3.765 -3.187 1.00 22.42 O ATOM 0 H SER A 30 13.560 1.956 -1.830 1.00 53.22 H new ATOM 0 HA SER A 30 14.602 3.280 -4.254 1.00 54.51 H new ATOM 0 HB2 SER A 30 13.330 4.649 -1.872 1.00 13.34 H new ATOM 0 HB3 SER A 30 13.439 5.213 -3.527 1.00 13.34 H new ATOM 0 HG SER A 30 12.086 3.159 -3.954 1.00 22.42 H new ATOM 473 N VAL A 31 16.452 4.619 -3.128 1.00 64.42 N ATOM 474 CA VAL A 31 17.700 5.117 -2.561 1.00 32.41 C ATOM 475 C VAL A 31 17.520 6.515 -1.981 1.00 21.12 C ATOM 476 O VAL A 31 17.530 7.507 -2.711 1.00 23.42 O ATOM 477 CB VAL A 31 18.822 5.150 -3.615 1.00 51.44 C ATOM 478 CG1 VAL A 31 20.187 5.118 -2.944 1.00 54.25 C ATOM 479 CG2 VAL A 31 18.671 3.993 -4.591 1.00 32.11 C ATOM 0 H VAL A 31 16.232 4.989 -4.053 1.00 64.42 H new ATOM 0 HA VAL A 31 17.982 4.430 -1.764 1.00 32.41 H new ATOM 0 HB VAL A 31 18.742 6.081 -4.176 1.00 51.44 H new ATOM 0 HG11 VAL A 31 20.967 5.142 -3.705 1.00 54.25 H new ATOM 0 HG12 VAL A 31 20.291 5.984 -2.290 1.00 54.25 H new ATOM 0 HG13 VAL A 31 20.282 4.205 -2.356 1.00 54.25 H new ATOM 0 HG21 VAL A 31 19.472 4.032 -5.329 1.00 32.11 H new ATOM 0 HG22 VAL A 31 18.724 3.049 -4.048 1.00 32.11 H new ATOM 0 HG23 VAL A 31 17.708 4.067 -5.097 1.00 32.11 H new ATOM 489 N ILE A 32 17.356 6.587 -0.664 1.00 62.32 N ATOM 490 CA ILE A 32 17.176 7.864 0.014 1.00 10.21 C ATOM 491 C ILE A 32 18.495 8.622 0.119 1.00 21.10 C ATOM 492 O ILE A 32 19.318 8.340 0.990 1.00 21.30 O ATOM 493 CB ILE A 32 16.592 7.674 1.427 1.00 43.24 C ATOM 494 CG1 ILE A 32 15.246 6.950 1.353 1.00 43.42 C ATOM 495 CG2 ILE A 32 16.439 9.019 2.122 1.00 65.32 C ATOM 496 CD1 ILE A 32 15.287 5.542 1.903 1.00 73.23 C ATOM 0 H ILE A 32 17.344 5.776 -0.046 1.00 62.32 H new ATOM 0 HA ILE A 32 16.474 8.443 -0.586 1.00 10.21 H new ATOM 0 HB ILE A 32 17.281 7.062 2.010 1.00 43.24 H new ATOM 0 HG12 ILE A 32 14.502 7.525 1.904 1.00 43.42 H new ATOM 0 HG13 ILE A 32 14.917 6.916 0.314 1.00 43.42 H new ATOM 0 HG21 ILE A 32 16.025 8.868 3.119 1.00 65.32 H new ATOM 0 HG22 ILE A 32 17.414 9.500 2.202 1.00 65.32 H new ATOM 0 HG23 ILE A 32 15.768 9.654 1.543 1.00 65.32 H new ATOM 0 HD11 ILE A 32 14.299 5.089 1.818 1.00 73.23 H new ATOM 0 HD12 ILE A 32 16.007 4.951 1.336 1.00 73.23 H new ATOM 0 HD13 ILE A 32 15.585 5.569 2.951 1.00 73.23 H new ATOM 508 N VAL A 33 18.689 9.587 -0.774 1.00 5.31 N ATOM 509 CA VAL A 33 19.907 10.389 -0.780 1.00 64.34 C ATOM 510 C VAL A 33 19.682 11.737 -0.105 1.00 72.05 C ATOM 511 O VAL A 33 18.797 12.499 -0.496 1.00 71.42 O ATOM 512 CB VAL A 33 20.417 10.624 -2.215 1.00 32.12 C ATOM 513 CG1 VAL A 33 21.807 11.240 -2.194 1.00 24.14 C ATOM 514 CG2 VAL A 33 20.414 9.322 -3.001 1.00 75.32 C ATOM 0 H VAL A 33 18.019 9.833 -1.503 1.00 5.31 H new ATOM 0 HA VAL A 33 20.657 9.828 -0.223 1.00 64.34 H new ATOM 0 HB VAL A 33 19.744 11.323 -2.711 1.00 32.12 H new ATOM 0 HG11 VAL A 33 22.150 11.398 -3.216 1.00 24.14 H new ATOM 0 HG12 VAL A 33 21.774 12.195 -1.670 1.00 24.14 H new ATOM 0 HG13 VAL A 33 22.495 10.568 -1.680 1.00 24.14 H new ATOM 0 HG21 VAL A 33 20.777 9.507 -4.012 1.00 75.32 H new ATOM 0 HG22 VAL A 33 21.064 8.598 -2.509 1.00 75.32 H new ATOM 0 HG23 VAL A 33 19.399 8.927 -3.046 1.00 75.32 H new ATOM 524 N PHE A 34 20.488 12.026 0.910 1.00 5.41 N ATOM 525 CA PHE A 34 20.377 13.283 1.641 1.00 50.52 C ATOM 526 C PHE A 34 21.380 14.307 1.118 1.00 43.31 C ATOM 527 O PHE A 34 22.590 14.076 1.138 1.00 32.22 O ATOM 528 CB PHE A 34 20.602 13.050 3.136 1.00 15.33 C ATOM 529 CG PHE A 34 20.875 14.311 3.905 1.00 12.22 C ATOM 530 CD1 PHE A 34 21.800 14.323 4.936 1.00 23.11 C ATOM 531 CD2 PHE A 34 20.206 15.485 3.597 1.00 34.23 C ATOM 532 CE1 PHE A 34 22.054 15.482 5.646 1.00 65.35 C ATOM 533 CE2 PHE A 34 20.456 16.647 4.303 1.00 71.42 C ATOM 534 CZ PHE A 34 21.380 16.645 5.329 1.00 65.21 C ATOM 0 H PHE A 34 21.226 11.407 1.246 1.00 5.41 H new ATOM 0 HA PHE A 34 19.371 13.675 1.489 1.00 50.52 H new ATOM 0 HB2 PHE A 34 19.723 12.561 3.556 1.00 15.33 H new ATOM 0 HB3 PHE A 34 21.440 12.366 3.267 1.00 15.33 H new ATOM 0 HD1 PHE A 34 22.329 13.416 5.188 1.00 23.11 H new ATOM 0 HD2 PHE A 34 19.481 15.492 2.796 1.00 34.23 H new ATOM 0 HE1 PHE A 34 22.778 15.478 6.447 1.00 65.35 H new ATOM 0 HE2 PHE A 34 19.929 17.556 4.052 1.00 71.42 H new ATOM 0 HZ PHE A 34 21.575 17.551 5.883 1.00 65.21 H new ATOM 544 N THR A 35 20.870 15.441 0.649 1.00 55.54 N ATOM 545 CA THR A 35 21.719 16.501 0.119 1.00 72.44 C ATOM 546 C THR A 35 20.933 17.793 -0.071 1.00 75.45 C ATOM 547 O THR A 35 19.753 17.767 -0.424 1.00 12.22 O ATOM 548 CB THR A 35 22.350 16.094 -1.227 1.00 12.44 C ATOM 549 OG1 THR A 35 23.257 17.110 -1.669 1.00 25.15 O ATOM 550 CG2 THR A 35 21.277 15.872 -2.282 1.00 62.41 C ATOM 0 H THR A 35 19.872 15.649 0.625 1.00 55.54 H new ATOM 0 HA THR A 35 22.511 16.666 0.849 1.00 72.44 H new ATOM 0 HB THR A 35 22.893 15.160 -1.081 1.00 12.44 H new ATOM 0 HG1 THR A 35 23.772 16.778 -2.434 1.00 25.15 H new ATOM 0 HG21 THR A 35 21.746 15.586 -3.223 1.00 62.41 H new ATOM 0 HG22 THR A 35 20.604 15.079 -1.956 1.00 62.41 H new ATOM 0 HG23 THR A 35 20.711 16.792 -2.424 1.00 62.41 H new ATOM 558 N HIS A 36 21.593 18.922 0.163 1.00 22.02 N ATOM 559 CA HIS A 36 20.955 20.225 0.016 1.00 3.52 C ATOM 560 C HIS A 36 20.336 20.374 -1.370 1.00 51.02 C ATOM 561 O HIS A 36 20.913 19.972 -2.381 1.00 32.43 O ATOM 562 CB HIS A 36 21.970 21.343 0.257 1.00 42.54 C ATOM 563 CG HIS A 36 22.598 21.300 1.616 1.00 51.52 C ATOM 564 ND1 HIS A 36 23.962 21.328 1.816 1.00 50.30 N ATOM 565 CD2 HIS A 36 22.040 21.233 2.847 1.00 33.00 C ATOM 566 CE1 HIS A 36 24.216 21.278 3.111 1.00 13.15 C ATOM 567 NE2 HIS A 36 23.066 21.220 3.759 1.00 1.13 N ATOM 0 H HIS A 36 22.569 18.961 0.455 1.00 22.02 H new ATOM 0 HA HIS A 36 20.161 20.299 0.759 1.00 3.52 H new ATOM 0 HB2 HIS A 36 22.753 21.280 -0.498 1.00 42.54 H new ATOM 0 HB3 HIS A 36 21.476 22.306 0.124 1.00 42.54 H new ATOM 0 HD2 HIS A 36 20.984 21.197 3.070 1.00 33.00 H new ATOM 0 HE1 HIS A 36 25.197 21.284 3.563 1.00 13.15 H new ATOM 0 HE2 HIS A 36 22.958 21.173 4.772 1.00 1.13 H new ATOM 575 N PRO A 37 19.133 20.965 -1.421 1.00 72.33 N ATOM 576 CA PRO A 37 18.409 21.179 -2.678 1.00 2.50 C ATOM 577 C PRO A 37 19.073 22.234 -3.556 1.00 42.43 C ATOM 578 O PRO A 37 19.283 22.019 -4.750 1.00 42.11 O ATOM 579 CB PRO A 37 17.031 21.659 -2.216 1.00 72.20 C ATOM 580 CG PRO A 37 17.269 22.263 -0.875 1.00 64.23 C ATOM 581 CD PRO A 37 18.386 21.469 -0.256 1.00 65.14 C ATOM 0 HA PRO A 37 18.379 20.277 -3.290 1.00 2.50 H new ATOM 0 HB2 PRO A 37 16.613 22.388 -2.910 1.00 72.20 H new ATOM 0 HB3 PRO A 37 16.323 20.832 -2.158 1.00 72.20 H new ATOM 0 HG2 PRO A 37 17.540 23.315 -0.963 1.00 64.23 H new ATOM 0 HG3 PRO A 37 16.370 22.216 -0.261 1.00 64.23 H new ATOM 0 HD2 PRO A 37 19.012 22.089 0.385 1.00 65.14 H new ATOM 0 HD3 PRO A 37 18.006 20.655 0.361 1.00 65.14 H new ATOM 589 N ASP A 38 19.402 23.374 -2.958 1.00 13.00 N ATOM 590 CA ASP A 38 20.044 24.462 -3.686 1.00 12.30 C ATOM 591 C ASP A 38 21.471 24.678 -3.193 1.00 64.13 C ATOM 592 O ASP A 38 21.737 25.590 -2.410 1.00 63.33 O ATOM 593 CB ASP A 38 19.238 25.753 -3.532 1.00 34.10 C ATOM 594 CG ASP A 38 19.957 26.957 -4.107 1.00 52.05 C ATOM 595 OD1 ASP A 38 20.715 26.784 -5.085 1.00 4.44 O ATOM 596 OD2 ASP A 38 19.760 28.072 -3.581 1.00 45.23 O ATOM 0 H ASP A 38 19.235 23.568 -1.971 1.00 13.00 H new ATOM 0 HA ASP A 38 20.080 24.189 -4.741 1.00 12.30 H new ATOM 0 HB2 ASP A 38 18.275 25.638 -4.029 1.00 34.10 H new ATOM 0 HB3 ASP A 38 19.033 25.926 -2.475 1.00 34.10 H new ATOM 601 N SER A 39 22.386 23.832 -3.656 1.00 70.15 N ATOM 602 CA SER A 39 23.786 23.927 -3.259 1.00 72.41 C ATOM 603 C SER A 39 24.697 23.960 -4.483 1.00 13.35 C ATOM 604 O SER A 39 24.716 23.025 -5.283 1.00 24.11 O ATOM 605 CB SER A 39 24.164 22.748 -2.360 1.00 74.21 C ATOM 606 OG SER A 39 25.546 22.767 -2.048 1.00 33.01 O ATOM 0 H SER A 39 22.183 23.073 -4.306 1.00 70.15 H new ATOM 0 HA SER A 39 23.918 24.856 -2.704 1.00 72.41 H new ATOM 0 HB2 SER A 39 23.580 22.786 -1.440 1.00 74.21 H new ATOM 0 HB3 SER A 39 23.913 21.812 -2.858 1.00 74.21 H new ATOM 0 HG SER A 39 25.664 22.673 -1.080 1.00 33.01 H new ATOM 612 N LYS A 40 25.451 25.045 -4.621 1.00 53.51 N ATOM 613 CA LYS A 40 26.366 25.203 -5.745 1.00 51.42 C ATOM 614 C LYS A 40 27.660 24.433 -5.505 1.00 63.03 C ATOM 615 O LYS A 40 28.093 23.650 -6.351 1.00 30.53 O ATOM 616 CB LYS A 40 26.676 26.685 -5.973 1.00 22.35 C ATOM 617 CG LYS A 40 27.186 26.992 -7.370 1.00 20.21 C ATOM 618 CD LYS A 40 28.328 27.993 -7.339 1.00 43.32 C ATOM 619 CE LYS A 40 29.680 27.297 -7.341 1.00 25.32 C ATOM 620 NZ LYS A 40 30.357 27.401 -8.664 1.00 15.04 N ATOM 0 H LYS A 40 25.446 25.829 -3.968 1.00 53.51 H new ATOM 0 HA LYS A 40 25.883 24.798 -6.634 1.00 51.42 H new ATOM 0 HB2 LYS A 40 25.774 27.269 -5.788 1.00 22.35 H new ATOM 0 HB3 LYS A 40 27.420 27.008 -5.245 1.00 22.35 H new ATOM 0 HG2 LYS A 40 27.521 26.071 -7.847 1.00 20.21 H new ATOM 0 HG3 LYS A 40 26.371 27.387 -7.977 1.00 20.21 H new ATOM 0 HD2 LYS A 40 28.257 28.654 -8.203 1.00 43.32 H new ATOM 0 HD3 LYS A 40 28.241 28.618 -6.450 1.00 43.32 H new ATOM 0 HE2 LYS A 40 30.316 27.737 -6.572 1.00 25.32 H new ATOM 0 HE3 LYS A 40 29.548 26.246 -7.083 1.00 25.32 H new ATOM 0 HZ1 LYS A 40 31.275 26.914 -8.623 1.00 15.04 H new ATOM 0 HZ2 LYS A 40 29.763 26.959 -9.394 1.00 15.04 H new ATOM 0 HZ3 LYS A 40 30.507 28.403 -8.900 1.00 15.04 H new ATOM 634 N ARG A 41 28.273 24.660 -4.348 1.00 32.21 N ATOM 635 CA ARG A 41 29.518 23.986 -3.997 1.00 55.54 C ATOM 636 C ARG A 41 29.299 22.484 -3.845 1.00 53.02 C ATOM 637 O ARG A 41 30.174 21.683 -4.174 1.00 34.24 O ATOM 638 CB ARG A 41 30.087 24.564 -2.700 1.00 73.21 C ATOM 639 CG ARG A 41 31.202 25.573 -2.920 1.00 61.52 C ATOM 640 CD ARG A 41 31.717 26.130 -1.602 1.00 64.34 C ATOM 641 NE ARG A 41 32.599 27.277 -1.801 1.00 12.15 N ATOM 642 CZ ARG A 41 33.028 28.054 -0.812 1.00 32.41 C ATOM 643 NH1 ARG A 41 32.659 27.807 0.437 1.00 33.34 N ATOM 644 NH2 ARG A 41 33.828 29.079 -1.072 1.00 3.41 N ATOM 0 H ARG A 41 27.928 25.305 -3.637 1.00 32.21 H new ATOM 0 HA ARG A 41 30.232 24.151 -4.804 1.00 55.54 H new ATOM 0 HB2 ARG A 41 29.282 25.041 -2.141 1.00 73.21 H new ATOM 0 HB3 ARG A 41 30.463 23.748 -2.083 1.00 73.21 H new ATOM 0 HG2 ARG A 41 32.021 25.099 -3.461 1.00 61.52 H new ATOM 0 HG3 ARG A 41 30.838 26.389 -3.544 1.00 61.52 H new ATOM 0 HD2 ARG A 41 30.873 26.425 -0.979 1.00 64.34 H new ATOM 0 HD3 ARG A 41 32.254 25.349 -1.063 1.00 64.34 H new ATOM 0 HE ARG A 41 32.902 27.493 -2.751 1.00 12.15 H new ATOM 0 HH11 ARG A 41 32.044 27.019 0.641 1.00 33.34 H new ATOM 0 HH12 ARG A 41 32.990 28.405 1.194 1.00 33.34 H new ATOM 0 HH21 ARG A 41 34.115 29.272 -2.032 1.00 3.41 H new ATOM 0 HH22 ARG A 41 34.157 29.675 -0.312 1.00 3.41 H new ATOM 658 N SER A 42 28.126 22.110 -3.345 1.00 34.22 N ATOM 659 CA SER A 42 27.793 20.704 -3.145 1.00 3.12 C ATOM 660 C SER A 42 26.739 20.247 -4.148 1.00 53.11 C ATOM 661 O SER A 42 26.330 21.007 -5.027 1.00 20.51 O ATOM 662 CB SER A 42 27.290 20.475 -1.718 1.00 54.14 C ATOM 663 OG SER A 42 27.875 21.398 -0.817 1.00 0.14 O ATOM 0 H SER A 42 27.390 22.761 -3.071 1.00 34.22 H new ATOM 0 HA SER A 42 28.697 20.116 -3.302 1.00 3.12 H new ATOM 0 HB2 SER A 42 26.205 20.574 -1.691 1.00 54.14 H new ATOM 0 HB3 SER A 42 27.525 19.458 -1.405 1.00 54.14 H new ATOM 0 HG SER A 42 27.536 21.232 0.087 1.00 0.14 H new ATOM 669 N LYS A 43 26.302 19.000 -4.011 1.00 34.13 N ATOM 670 CA LYS A 43 25.294 18.439 -4.903 1.00 13.23 C ATOM 671 C LYS A 43 25.813 18.369 -6.335 1.00 43.21 C ATOM 672 O LYS A 43 25.040 18.204 -7.278 1.00 33.34 O ATOM 673 CB LYS A 43 24.015 19.279 -4.853 1.00 62.11 C ATOM 674 CG LYS A 43 22.799 18.507 -4.371 1.00 1.30 C ATOM 675 CD LYS A 43 21.526 18.997 -5.041 1.00 2.33 C ATOM 676 CE LYS A 43 21.507 18.651 -6.522 1.00 11.13 C ATOM 677 NZ LYS A 43 21.022 19.789 -7.351 1.00 43.10 N ATOM 0 H LYS A 43 26.630 18.358 -3.290 1.00 34.13 H new ATOM 0 HA LYS A 43 25.070 17.427 -4.567 1.00 13.23 H new ATOM 0 HB2 LYS A 43 24.177 20.133 -4.195 1.00 62.11 H new ATOM 0 HB3 LYS A 43 23.812 19.676 -5.848 1.00 62.11 H new ATOM 0 HG2 LYS A 43 22.935 17.446 -4.578 1.00 1.30 H new ATOM 0 HG3 LYS A 43 22.706 18.611 -3.290 1.00 1.30 H new ATOM 0 HD2 LYS A 43 20.661 18.551 -4.551 1.00 2.33 H new ATOM 0 HD3 LYS A 43 21.441 20.077 -4.917 1.00 2.33 H new ATOM 0 HE2 LYS A 43 22.510 18.370 -6.842 1.00 11.13 H new ATOM 0 HE3 LYS A 43 20.866 17.784 -6.684 1.00 11.13 H new ATOM 0 HZ1 LYS A 43 21.024 19.513 -8.354 1.00 43.10 H new ATOM 0 HZ2 LYS A 43 20.055 20.041 -7.063 1.00 43.10 H new ATOM 0 HZ3 LYS A 43 21.648 20.608 -7.216 1.00 43.10 H new ATOM 691 N GLU A 44 27.128 18.495 -6.490 1.00 74.20 N ATOM 692 CA GLU A 44 27.749 18.445 -7.808 1.00 60.22 C ATOM 693 C GLU A 44 27.949 17.001 -8.261 1.00 53.32 C ATOM 694 O GLU A 44 27.737 16.671 -9.428 1.00 54.14 O ATOM 695 CB GLU A 44 29.093 19.176 -7.791 1.00 50.11 C ATOM 696 CG GLU A 44 28.989 20.630 -7.361 1.00 25.31 C ATOM 697 CD GLU A 44 29.411 21.593 -8.453 1.00 62.15 C ATOM 698 OE1 GLU A 44 28.548 21.977 -9.270 1.00 40.41 O ATOM 699 OE2 GLU A 44 30.603 21.962 -8.492 1.00 65.23 O ATOM 0 H GLU A 44 27.782 18.632 -5.720 1.00 74.20 H new ATOM 0 HA GLU A 44 27.083 18.940 -8.514 1.00 60.22 H new ATOM 0 HB2 GLU A 44 29.772 18.654 -7.117 1.00 50.11 H new ATOM 0 HB3 GLU A 44 29.534 19.131 -8.787 1.00 50.11 H new ATOM 0 HG2 GLU A 44 27.961 20.846 -7.069 1.00 25.31 H new ATOM 0 HG3 GLU A 44 29.611 20.790 -6.480 1.00 25.31 H new ATOM 706 N ILE A 45 28.358 16.147 -7.330 1.00 64.40 N ATOM 707 CA ILE A 45 28.586 14.739 -7.633 1.00 4.22 C ATOM 708 C ILE A 45 27.276 14.024 -7.943 1.00 14.24 C ATOM 709 O ILE A 45 27.272 12.895 -8.433 1.00 50.14 O ATOM 710 CB ILE A 45 29.288 14.019 -6.466 1.00 72.32 C ATOM 711 CG1 ILE A 45 28.454 14.138 -5.189 1.00 53.21 C ATOM 712 CG2 ILE A 45 30.681 14.591 -6.251 1.00 52.11 C ATOM 713 CD1 ILE A 45 27.427 13.039 -5.033 1.00 32.51 C ATOM 0 H ILE A 45 28.538 16.405 -6.360 1.00 64.40 H new ATOM 0 HA ILE A 45 29.231 14.705 -8.511 1.00 4.22 H new ATOM 0 HB ILE A 45 29.386 12.963 -6.717 1.00 72.32 H new ATOM 0 HG12 ILE A 45 29.121 14.126 -4.327 1.00 53.21 H new ATOM 0 HG13 ILE A 45 27.946 15.102 -5.185 1.00 53.21 H new ATOM 0 HG21 ILE A 45 31.164 14.072 -5.423 1.00 52.11 H new ATOM 0 HG22 ILE A 45 31.273 14.458 -7.157 1.00 52.11 H new ATOM 0 HG23 ILE A 45 30.606 15.653 -6.019 1.00 52.11 H new ATOM 0 HD11 ILE A 45 26.873 13.187 -4.106 1.00 32.51 H new ATOM 0 HD12 ILE A 45 26.737 13.064 -5.876 1.00 32.51 H new ATOM 0 HD13 ILE A 45 27.930 12.072 -5.004 1.00 32.51 H new ATOM 725 N LYS A 46 26.162 14.690 -7.654 1.00 44.14 N ATOM 726 CA LYS A 46 24.843 14.121 -7.904 1.00 45.15 C ATOM 727 C LYS A 46 24.771 13.509 -9.300 1.00 34.13 C ATOM 728 O LYS A 46 24.208 12.430 -9.485 1.00 3.22 O ATOM 729 CB LYS A 46 23.764 15.195 -7.750 1.00 44.33 C ATOM 730 CG LYS A 46 23.494 15.583 -6.307 1.00 33.21 C ATOM 731 CD LYS A 46 22.915 14.421 -5.517 1.00 1.03 C ATOM 732 CE LYS A 46 23.641 14.230 -4.194 1.00 3.00 C ATOM 733 NZ LYS A 46 24.447 12.978 -4.179 1.00 60.23 N ATOM 0 H LYS A 46 26.147 15.625 -7.246 1.00 44.14 H new ATOM 0 HA LYS A 46 24.669 13.333 -7.171 1.00 45.15 H new ATOM 0 HB2 LYS A 46 24.065 16.083 -8.306 1.00 44.33 H new ATOM 0 HB3 LYS A 46 22.839 14.836 -8.200 1.00 44.33 H new ATOM 0 HG2 LYS A 46 24.420 15.917 -5.839 1.00 33.21 H new ATOM 0 HG3 LYS A 46 22.802 16.424 -6.279 1.00 33.21 H new ATOM 0 HD2 LYS A 46 21.856 14.599 -5.330 1.00 1.03 H new ATOM 0 HD3 LYS A 46 22.985 13.507 -6.107 1.00 1.03 H new ATOM 0 HE2 LYS A 46 24.293 15.084 -4.011 1.00 3.00 H new ATOM 0 HE3 LYS A 46 22.915 14.204 -3.382 1.00 3.00 H new ATOM 0 HZ1 LYS A 46 25.092 12.990 -3.363 1.00 60.23 H new ATOM 0 HZ2 LYS A 46 23.812 12.157 -4.106 1.00 60.23 H new ATOM 0 HZ3 LYS A 46 25.000 12.911 -5.057 1.00 60.23 H new ATOM 747 N GLU A 47 25.344 14.204 -10.277 1.00 1.21 N ATOM 748 CA GLU A 47 25.344 13.727 -11.655 1.00 12.12 C ATOM 749 C GLU A 47 25.777 12.266 -11.725 1.00 23.44 C ATOM 750 O GLU A 47 25.208 11.472 -12.474 1.00 53.01 O ATOM 751 CB GLU A 47 26.271 14.587 -12.516 1.00 1.20 C ATOM 752 CG GLU A 47 25.750 14.823 -13.924 1.00 33.15 C ATOM 753 CD GLU A 47 24.776 15.983 -13.998 1.00 74.43 C ATOM 754 OE1 GLU A 47 23.923 16.100 -13.093 1.00 22.31 O ATOM 755 OE2 GLU A 47 24.865 16.772 -14.961 1.00 41.33 O ATOM 0 H GLU A 47 25.814 15.099 -10.140 1.00 1.21 H new ATOM 0 HA GLU A 47 24.327 13.805 -12.039 1.00 12.12 H new ATOM 0 HB2 GLU A 47 26.418 15.550 -12.026 1.00 1.20 H new ATOM 0 HB3 GLU A 47 27.248 14.106 -12.575 1.00 1.20 H new ATOM 0 HG2 GLU A 47 26.590 15.016 -14.591 1.00 33.15 H new ATOM 0 HG3 GLU A 47 25.260 13.918 -14.283 1.00 33.15 H new ATOM 762 N LYS A 48 26.790 11.917 -10.938 1.00 70.14 N ATOM 763 CA LYS A 48 27.301 10.552 -10.909 1.00 23.33 C ATOM 764 C LYS A 48 26.187 9.560 -10.590 1.00 52.15 C ATOM 765 O LYS A 48 26.106 8.488 -11.191 1.00 21.52 O ATOM 766 CB LYS A 48 28.421 10.427 -9.873 1.00 34.15 C ATOM 767 CG LYS A 48 29.509 11.476 -10.023 1.00 73.23 C ATOM 768 CD LYS A 48 30.845 10.846 -10.377 1.00 64.30 C ATOM 769 CE LYS A 48 31.905 11.902 -10.649 1.00 2.42 C ATOM 770 NZ LYS A 48 31.460 12.883 -11.677 1.00 72.13 N ATOM 0 H LYS A 48 27.273 12.561 -10.312 1.00 70.14 H new ATOM 0 HA LYS A 48 27.699 10.319 -11.897 1.00 23.33 H new ATOM 0 HB2 LYS A 48 27.991 10.502 -8.874 1.00 34.15 H new ATOM 0 HB3 LYS A 48 28.869 9.437 -9.953 1.00 34.15 H new ATOM 0 HG2 LYS A 48 29.225 12.188 -10.798 1.00 73.23 H new ATOM 0 HG3 LYS A 48 29.605 12.037 -9.094 1.00 73.23 H new ATOM 0 HD2 LYS A 48 31.172 10.202 -9.561 1.00 64.30 H new ATOM 0 HD3 LYS A 48 30.728 10.212 -11.256 1.00 64.30 H new ATOM 0 HE2 LYS A 48 32.140 12.427 -9.723 1.00 2.42 H new ATOM 0 HE3 LYS A 48 32.823 11.418 -10.982 1.00 2.42 H new ATOM 0 HZ1 LYS A 48 32.272 13.163 -12.264 1.00 72.13 H new ATOM 0 HZ2 LYS A 48 30.731 12.449 -12.279 1.00 72.13 H new ATOM 0 HZ3 LYS A 48 31.066 13.723 -11.208 1.00 72.13 H new ATOM 784 N LEU A 49 25.329 9.925 -9.645 1.00 14.34 N ATOM 785 CA LEU A 49 24.217 9.068 -9.248 1.00 11.03 C ATOM 786 C LEU A 49 23.113 9.086 -10.300 1.00 72.00 C ATOM 787 O LEU A 49 22.397 8.101 -10.482 1.00 20.22 O ATOM 788 CB LEU A 49 23.657 9.518 -7.897 1.00 61.11 C ATOM 789 CG LEU A 49 22.653 8.572 -7.238 1.00 74.11 C ATOM 790 CD1 LEU A 49 23.343 7.298 -6.777 1.00 33.40 C ATOM 791 CD2 LEU A 49 21.961 9.259 -6.070 1.00 35.42 C ATOM 0 H LEU A 49 25.381 10.809 -9.139 1.00 14.34 H new ATOM 0 HA LEU A 49 24.591 8.048 -9.158 1.00 11.03 H new ATOM 0 HB2 LEU A 49 24.491 9.665 -7.211 1.00 61.11 H new ATOM 0 HB3 LEU A 49 23.179 10.488 -8.030 1.00 61.11 H new ATOM 0 HG LEU A 49 21.897 8.304 -7.976 1.00 74.11 H new ATOM 0 HD11 LEU A 49 22.613 6.637 -6.310 1.00 33.40 H new ATOM 0 HD12 LEU A 49 23.791 6.796 -7.635 1.00 33.40 H new ATOM 0 HD13 LEU A 49 24.121 7.546 -6.055 1.00 33.40 H new ATOM 0 HD21 LEU A 49 21.250 8.571 -5.613 1.00 35.42 H new ATOM 0 HD22 LEU A 49 22.705 9.557 -5.331 1.00 35.42 H new ATOM 0 HD23 LEU A 49 21.432 10.142 -6.429 1.00 35.42 H new ATOM 803 N LYS A 50 22.981 10.212 -10.993 1.00 3.11 N ATOM 804 CA LYS A 50 21.967 10.359 -12.030 1.00 63.33 C ATOM 805 C LYS A 50 22.258 9.435 -13.209 1.00 54.33 C ATOM 806 O LYS A 50 21.359 8.775 -13.730 1.00 74.13 O ATOM 807 CB LYS A 50 21.905 11.811 -12.509 1.00 74.35 C ATOM 808 CG LYS A 50 20.632 12.532 -12.101 1.00 33.42 C ATOM 809 CD LYS A 50 20.744 14.031 -12.322 1.00 62.32 C ATOM 810 CE LYS A 50 21.154 14.753 -11.048 1.00 11.11 C ATOM 811 NZ LYS A 50 20.514 16.093 -10.940 1.00 40.51 N ATOM 0 H LYS A 50 23.565 11.037 -10.855 1.00 3.11 H new ATOM 0 HA LYS A 50 21.003 10.083 -11.603 1.00 63.33 H new ATOM 0 HB2 LYS A 50 22.763 12.353 -12.111 1.00 74.35 H new ATOM 0 HB3 LYS A 50 21.991 11.830 -13.595 1.00 74.35 H new ATOM 0 HG2 LYS A 50 19.792 12.141 -12.674 1.00 33.42 H new ATOM 0 HG3 LYS A 50 20.421 12.333 -11.050 1.00 33.42 H new ATOM 0 HD2 LYS A 50 21.475 14.231 -13.106 1.00 62.32 H new ATOM 0 HD3 LYS A 50 19.788 14.421 -12.671 1.00 62.32 H new ATOM 0 HE2 LYS A 50 20.879 14.149 -10.184 1.00 11.11 H new ATOM 0 HE3 LYS A 50 22.238 14.865 -11.027 1.00 11.11 H new ATOM 0 HZ1 LYS A 50 20.819 16.553 -10.058 1.00 40.51 H new ATOM 0 HZ2 LYS A 50 20.796 16.679 -11.752 1.00 40.51 H new ATOM 0 HZ3 LYS A 50 19.480 15.984 -10.934 1.00 40.51 H new ATOM 825 N LYS A 51 23.519 9.393 -13.625 1.00 31.32 N ATOM 826 CA LYS A 51 23.929 8.548 -14.740 1.00 43.34 C ATOM 827 C LYS A 51 23.760 7.072 -14.396 1.00 60.13 C ATOM 828 O LYS A 51 23.497 6.246 -15.272 1.00 3.13 O ATOM 829 CB LYS A 51 25.386 8.832 -15.113 1.00 3.23 C ATOM 830 CG LYS A 51 25.548 9.948 -16.131 1.00 34.22 C ATOM 831 CD LYS A 51 26.998 10.384 -16.255 1.00 72.33 C ATOM 832 CE LYS A 51 27.274 11.023 -17.608 1.00 34.32 C ATOM 833 NZ LYS A 51 27.067 10.063 -18.727 1.00 61.43 N ATOM 0 H LYS A 51 24.275 9.935 -13.206 1.00 31.32 H new ATOM 0 HA LYS A 51 23.290 8.779 -15.592 1.00 43.34 H new ATOM 0 HB2 LYS A 51 25.939 9.092 -14.210 1.00 3.23 H new ATOM 0 HB3 LYS A 51 25.834 7.921 -15.510 1.00 3.23 H new ATOM 0 HG2 LYS A 51 25.184 9.612 -17.102 1.00 34.22 H new ATOM 0 HG3 LYS A 51 24.935 10.800 -15.838 1.00 34.22 H new ATOM 0 HD2 LYS A 51 27.235 11.093 -15.462 1.00 72.33 H new ATOM 0 HD3 LYS A 51 27.651 9.522 -16.118 1.00 72.33 H new ATOM 0 HE2 LYS A 51 26.620 11.885 -17.743 1.00 34.32 H new ATOM 0 HE3 LYS A 51 28.299 11.394 -17.632 1.00 34.32 H new ATOM 0 HZ1 LYS A 51 27.935 10.001 -19.297 1.00 61.43 H new ATOM 0 HZ2 LYS A 51 26.838 9.125 -18.341 1.00 61.43 H new ATOM 0 HZ3 LYS A 51 26.283 10.392 -19.326 1.00 61.43 H new ATOM 847 N LEU A 52 23.911 6.746 -13.117 1.00 55.33 N ATOM 848 CA LEU A 52 23.773 5.369 -12.657 1.00 74.11 C ATOM 849 C LEU A 52 22.416 4.796 -13.053 1.00 73.33 C ATOM 850 O LEU A 52 22.246 3.580 -13.142 1.00 3.03 O ATOM 851 CB LEU A 52 23.945 5.298 -11.139 1.00 23.12 C ATOM 852 CG LEU A 52 23.715 3.928 -10.500 1.00 74.24 C ATOM 853 CD1 LEU A 52 24.672 3.712 -9.339 1.00 65.11 C ATOM 854 CD2 LEU A 52 22.272 3.792 -10.036 1.00 73.24 C ATOM 0 H LEU A 52 24.129 7.417 -12.380 1.00 55.33 H new ATOM 0 HA LEU A 52 24.552 4.773 -13.133 1.00 74.11 H new ATOM 0 HB2 LEU A 52 24.955 5.627 -10.892 1.00 23.12 H new ATOM 0 HB3 LEU A 52 23.257 6.010 -10.682 1.00 23.12 H new ATOM 0 HG LEU A 52 23.909 3.162 -11.251 1.00 74.24 H new ATOM 0 HD11 LEU A 52 24.493 2.732 -8.897 1.00 65.11 H new ATOM 0 HD12 LEU A 52 25.699 3.765 -9.700 1.00 65.11 H new ATOM 0 HD13 LEU A 52 24.511 4.484 -8.586 1.00 65.11 H new ATOM 0 HD21 LEU A 52 22.126 2.811 -9.584 1.00 73.24 H new ATOM 0 HD22 LEU A 52 22.051 4.567 -9.302 1.00 73.24 H new ATOM 0 HD23 LEU A 52 21.603 3.901 -10.890 1.00 73.24 H new ATOM 866 N ALA A 53 21.453 5.680 -13.293 1.00 32.23 N ATOM 867 CA ALA A 53 20.112 5.262 -13.684 1.00 2.01 C ATOM 868 C ALA A 53 20.158 4.328 -14.888 1.00 52.14 C ATOM 869 O ALA A 53 19.259 3.511 -15.085 1.00 63.33 O ATOM 870 CB ALA A 53 19.248 6.477 -13.988 1.00 45.11 C ATOM 0 H ALA A 53 21.576 6.690 -13.224 1.00 32.23 H new ATOM 0 HA ALA A 53 19.670 4.716 -12.850 1.00 2.01 H new ATOM 0 HB1 ALA A 53 18.250 6.150 -14.279 1.00 45.11 H new ATOM 0 HB2 ALA A 53 19.180 7.106 -13.101 1.00 45.11 H new ATOM 0 HB3 ALA A 53 19.695 7.046 -14.803 1.00 45.11 H new ATOM 876 N GLU A 54 21.210 4.456 -15.691 1.00 54.13 N ATOM 877 CA GLU A 54 21.370 3.623 -16.878 1.00 0.54 C ATOM 878 C GLU A 54 21.881 2.235 -16.503 1.00 50.20 C ATOM 879 O GLU A 54 21.429 1.229 -17.048 1.00 70.11 O ATOM 880 CB GLU A 54 22.334 4.284 -17.865 1.00 50.42 C ATOM 881 CG GLU A 54 22.510 3.506 -19.158 1.00 75.40 C ATOM 882 CD GLU A 54 23.932 3.019 -19.358 1.00 11.44 C ATOM 883 OE1 GLU A 54 24.232 1.880 -18.944 1.00 22.22 O ATOM 884 OE2 GLU A 54 24.744 3.778 -19.927 1.00 24.41 O ATOM 0 H GLU A 54 21.963 5.127 -15.542 1.00 54.13 H new ATOM 0 HA GLU A 54 20.394 3.516 -17.351 1.00 0.54 H new ATOM 0 HB2 GLU A 54 21.971 5.285 -18.100 1.00 50.42 H new ATOM 0 HB3 GLU A 54 23.306 4.402 -17.387 1.00 50.42 H new ATOM 0 HG2 GLU A 54 21.834 2.651 -19.158 1.00 75.40 H new ATOM 0 HG3 GLU A 54 22.225 4.138 -19.999 1.00 75.40 H new ATOM 891 N GLU A 55 22.826 2.191 -15.569 1.00 63.04 N ATOM 892 CA GLU A 55 23.400 0.927 -15.123 1.00 73.31 C ATOM 893 C GLU A 55 22.325 0.023 -14.526 1.00 60.52 C ATOM 894 O GLU A 55 22.415 -1.203 -14.605 1.00 52.11 O ATOM 895 CB GLU A 55 24.502 1.177 -14.092 1.00 32.14 C ATOM 896 CG GLU A 55 24.684 0.034 -13.107 1.00 3.43 C ATOM 897 CD GLU A 55 23.795 0.168 -11.886 1.00 54.52 C ATOM 898 OE1 GLU A 55 23.888 -0.693 -10.987 1.00 24.11 O ATOM 899 OE2 GLU A 55 23.005 1.134 -11.830 1.00 72.02 O ATOM 0 H GLU A 55 23.210 3.015 -15.107 1.00 63.04 H new ATOM 0 HA GLU A 55 23.831 0.427 -15.990 1.00 73.31 H new ATOM 0 HB2 GLU A 55 25.443 1.350 -14.613 1.00 32.14 H new ATOM 0 HB3 GLU A 55 24.272 2.088 -13.540 1.00 32.14 H new ATOM 0 HG2 GLU A 55 24.467 -0.910 -13.608 1.00 3.43 H new ATOM 0 HG3 GLU A 55 25.726 -0.005 -12.790 1.00 3.43 H new ATOM 906 N PHE A 56 21.309 0.636 -13.929 1.00 0.05 N ATOM 907 CA PHE A 56 20.217 -0.112 -13.316 1.00 63.34 C ATOM 908 C PHE A 56 19.005 0.785 -13.087 1.00 35.21 C ATOM 909 O PHE A 56 18.726 1.221 -11.970 1.00 11.21 O ATOM 910 CB PHE A 56 20.671 -0.724 -11.990 1.00 23.54 C ATOM 911 CG PHE A 56 19.794 -1.848 -11.516 1.00 53.33 C ATOM 912 CD1 PHE A 56 19.452 -2.884 -12.370 1.00 33.23 C ATOM 913 CD2 PHE A 56 19.310 -1.867 -10.218 1.00 3.32 C ATOM 914 CE1 PHE A 56 18.645 -3.920 -11.937 1.00 54.42 C ATOM 915 CE2 PHE A 56 18.503 -2.900 -9.780 1.00 3.54 C ATOM 916 CZ PHE A 56 18.169 -3.927 -10.641 1.00 10.44 C ATOM 0 H PHE A 56 21.219 1.649 -13.856 1.00 0.05 H new ATOM 0 HA PHE A 56 19.930 -0.913 -13.998 1.00 63.34 H new ATOM 0 HB2 PHE A 56 21.691 -1.091 -12.099 1.00 23.54 H new ATOM 0 HB3 PHE A 56 20.693 0.055 -11.228 1.00 23.54 H new ATOM 0 HD1 PHE A 56 19.820 -2.882 -13.385 1.00 33.23 H new ATOM 0 HD2 PHE A 56 19.566 -1.066 -9.541 1.00 3.32 H new ATOM 0 HE1 PHE A 56 18.387 -4.723 -12.612 1.00 54.42 H new ATOM 0 HE2 PHE A 56 18.134 -2.904 -8.765 1.00 3.54 H new ATOM 0 HZ PHE A 56 17.537 -4.734 -10.301 1.00 10.44 H new ATOM 926 N PRO A 57 18.265 1.068 -14.170 1.00 3.03 N ATOM 927 CA PRO A 57 17.071 1.915 -14.113 1.00 55.41 C ATOM 928 C PRO A 57 15.916 1.241 -13.380 1.00 52.12 C ATOM 929 O PRO A 57 14.887 1.864 -13.116 1.00 5.31 O ATOM 930 CB PRO A 57 16.717 2.129 -15.587 1.00 33.30 C ATOM 931 CG PRO A 57 17.292 0.947 -16.289 1.00 54.43 C ATOM 932 CD PRO A 57 18.539 0.582 -15.533 1.00 13.23 C ATOM 0 HA PRO A 57 17.253 2.840 -13.566 1.00 55.41 H new ATOM 0 HB2 PRO A 57 15.638 2.189 -15.731 1.00 33.30 H new ATOM 0 HB3 PRO A 57 17.141 3.059 -15.965 1.00 33.30 H new ATOM 0 HG2 PRO A 57 16.585 0.117 -16.299 1.00 54.43 H new ATOM 0 HG3 PRO A 57 17.521 1.184 -17.328 1.00 54.43 H new ATOM 0 HD2 PRO A 57 18.718 -0.493 -15.548 1.00 13.23 H new ATOM 0 HD3 PRO A 57 19.422 1.058 -15.960 1.00 13.23 H new ATOM 940 N ASP A 58 16.093 -0.035 -13.054 1.00 55.44 N ATOM 941 CA ASP A 58 15.065 -0.793 -12.350 1.00 63.22 C ATOM 942 C ASP A 58 14.810 -0.207 -10.965 1.00 43.11 C ATOM 943 O ASP A 58 13.672 0.100 -10.609 1.00 45.23 O ATOM 944 CB ASP A 58 15.479 -2.261 -12.228 1.00 54.22 C ATOM 945 CG ASP A 58 14.953 -2.907 -10.962 1.00 34.03 C ATOM 946 OD1 ASP A 58 15.612 -2.774 -9.909 1.00 62.34 O ATOM 947 OD2 ASP A 58 13.881 -3.545 -11.023 1.00 11.24 O ATOM 0 H ASP A 58 16.938 -0.566 -13.266 1.00 55.44 H new ATOM 0 HA ASP A 58 14.142 -0.730 -12.927 1.00 63.22 H new ATOM 0 HB2 ASP A 58 15.112 -2.812 -13.094 1.00 54.22 H new ATOM 0 HB3 ASP A 58 16.567 -2.331 -12.244 1.00 54.22 H new ATOM 952 N VAL A 59 15.877 -0.055 -10.187 1.00 21.23 N ATOM 953 CA VAL A 59 15.769 0.494 -8.840 1.00 42.25 C ATOM 954 C VAL A 59 15.296 1.943 -8.874 1.00 44.14 C ATOM 955 O VAL A 59 15.458 2.636 -9.879 1.00 0.20 O ATOM 956 CB VAL A 59 17.115 0.422 -8.095 1.00 44.34 C ATOM 957 CG1 VAL A 59 18.103 1.422 -8.678 1.00 55.14 C ATOM 958 CG2 VAL A 59 16.914 0.665 -6.607 1.00 51.33 C ATOM 0 H VAL A 59 16.826 -0.304 -10.466 1.00 21.23 H new ATOM 0 HA VAL A 59 15.036 -0.112 -8.309 1.00 42.25 H new ATOM 0 HB VAL A 59 17.528 -0.578 -8.224 1.00 44.34 H new ATOM 0 HG11 VAL A 59 19.048 1.356 -8.139 1.00 55.14 H new ATOM 0 HG12 VAL A 59 18.270 1.197 -9.731 1.00 55.14 H new ATOM 0 HG13 VAL A 59 17.700 2.430 -8.582 1.00 55.14 H new ATOM 0 HG21 VAL A 59 17.875 0.610 -6.096 1.00 51.33 H new ATOM 0 HG22 VAL A 59 16.478 1.652 -6.455 1.00 51.33 H new ATOM 0 HG23 VAL A 59 16.244 -0.094 -6.202 1.00 51.33 H new ATOM 968 N ASP A 60 14.712 2.395 -7.770 1.00 60.23 N ATOM 969 CA ASP A 60 14.216 3.763 -7.672 1.00 64.23 C ATOM 970 C ASP A 60 15.261 4.675 -7.036 1.00 72.13 C ATOM 971 O ASP A 60 15.637 4.491 -5.878 1.00 61.33 O ATOM 972 CB ASP A 60 12.923 3.802 -6.857 1.00 52.13 C ATOM 973 CG ASP A 60 12.287 2.433 -6.715 1.00 15.52 C ATOM 974 OD1 ASP A 60 12.472 1.800 -5.654 1.00 52.22 O ATOM 975 OD2 ASP A 60 11.603 1.996 -7.663 1.00 75.13 O ATOM 0 H ASP A 60 14.570 1.834 -6.930 1.00 60.23 H new ATOM 0 HA ASP A 60 14.011 4.123 -8.680 1.00 64.23 H new ATOM 0 HB2 ASP A 60 13.133 4.206 -5.867 1.00 52.13 H new ATOM 0 HB3 ASP A 60 12.216 4.480 -7.335 1.00 52.13 H new ATOM 980 N ILE A 61 15.725 5.657 -7.801 1.00 4.10 N ATOM 981 CA ILE A 61 16.726 6.597 -7.312 1.00 1.32 C ATOM 982 C ILE A 61 16.168 8.016 -7.258 1.00 64.55 C ATOM 983 O ILE A 61 16.033 8.680 -8.286 1.00 61.44 O ATOM 984 CB ILE A 61 17.988 6.587 -8.195 1.00 72.30 C ATOM 985 CG1 ILE A 61 18.351 5.153 -8.587 1.00 33.24 C ATOM 986 CG2 ILE A 61 19.147 7.253 -7.470 1.00 44.31 C ATOM 987 CD1 ILE A 61 17.979 4.803 -10.011 1.00 21.25 C ATOM 0 H ILE A 61 15.424 5.822 -8.761 1.00 4.10 H new ATOM 0 HA ILE A 61 16.995 6.276 -6.306 1.00 1.32 H new ATOM 0 HB ILE A 61 17.782 7.151 -9.104 1.00 72.30 H new ATOM 0 HG12 ILE A 61 19.423 5.009 -8.454 1.00 33.24 H new ATOM 0 HG13 ILE A 61 17.850 4.462 -7.909 1.00 33.24 H new ATOM 0 HG21 ILE A 61 20.031 7.238 -8.107 1.00 44.31 H new ATOM 0 HG22 ILE A 61 18.885 8.285 -7.237 1.00 44.31 H new ATOM 0 HG23 ILE A 61 19.356 6.714 -6.546 1.00 44.31 H new ATOM 0 HD11 ILE A 61 18.266 3.772 -10.219 1.00 21.25 H new ATOM 0 HD12 ILE A 61 16.903 4.914 -10.144 1.00 21.25 H new ATOM 0 HD13 ILE A 61 18.500 5.470 -10.698 1.00 21.25 H new ATOM 999 N TYR A 62 15.848 8.474 -6.054 1.00 10.22 N ATOM 1000 CA TYR A 62 15.304 9.814 -5.866 1.00 2.02 C ATOM 1001 C TYR A 62 16.096 10.580 -4.811 1.00 3.31 C ATOM 1002 O TYR A 62 16.706 9.985 -3.921 1.00 50.41 O ATOM 1003 CB TYR A 62 13.832 9.737 -5.458 1.00 50.11 C ATOM 1004 CG TYR A 62 13.623 9.327 -4.018 1.00 21.40 C ATOM 1005 CD1 TYR A 62 13.132 10.229 -3.082 1.00 71.13 C ATOM 1006 CD2 TYR A 62 13.918 8.037 -3.593 1.00 12.24 C ATOM 1007 CE1 TYR A 62 12.940 9.859 -1.765 1.00 61.42 C ATOM 1008 CE2 TYR A 62 13.728 7.658 -2.278 1.00 33.20 C ATOM 1009 CZ TYR A 62 13.239 8.572 -1.368 1.00 51.01 C ATOM 1010 OH TYR A 62 13.050 8.198 -0.057 1.00 54.43 O ATOM 0 H TYR A 62 15.956 7.938 -5.193 1.00 10.22 H new ATOM 0 HA TYR A 62 15.384 10.347 -6.813 1.00 2.02 H new ATOM 0 HB2 TYR A 62 13.367 10.709 -5.621 1.00 50.11 H new ATOM 0 HB3 TYR A 62 13.321 9.026 -6.107 1.00 50.11 H new ATOM 0 HD1 TYR A 62 12.896 11.237 -3.390 1.00 71.13 H new ATOM 0 HD2 TYR A 62 14.302 7.319 -4.302 1.00 12.24 H new ATOM 0 HE1 TYR A 62 12.558 10.573 -1.050 1.00 61.42 H new ATOM 0 HE2 TYR A 62 13.961 6.651 -1.964 1.00 33.20 H new ATOM 0 HH TYR A 62 12.538 7.363 -0.026 1.00 54.43 H new ATOM 1020 N LEU A 63 16.082 11.904 -4.916 1.00 43.54 N ATOM 1021 CA LEU A 63 16.798 12.755 -3.972 1.00 22.12 C ATOM 1022 C LEU A 63 15.851 13.311 -2.914 1.00 12.05 C ATOM 1023 O LEU A 63 14.660 13.496 -3.166 1.00 63.15 O ATOM 1024 CB LEU A 63 17.487 13.904 -4.710 1.00 61.23 C ATOM 1025 CG LEU A 63 18.879 13.604 -5.269 1.00 13.24 C ATOM 1026 CD1 LEU A 63 18.853 12.344 -6.119 1.00 33.52 C ATOM 1027 CD2 LEU A 63 19.394 14.785 -6.078 1.00 42.11 C ATOM 0 H LEU A 63 15.582 12.412 -5.646 1.00 43.54 H new ATOM 0 HA LEU A 63 17.553 12.147 -3.474 1.00 22.12 H new ATOM 0 HB2 LEU A 63 16.846 14.216 -5.534 1.00 61.23 H new ATOM 0 HB3 LEU A 63 17.566 14.751 -4.029 1.00 61.23 H new ATOM 0 HG LEU A 63 19.558 13.438 -4.432 1.00 13.24 H new ATOM 0 HD11 LEU A 63 19.852 12.147 -6.508 1.00 33.52 H new ATOM 0 HD12 LEU A 63 18.528 11.501 -5.510 1.00 33.52 H new ATOM 0 HD13 LEU A 63 18.161 12.480 -6.950 1.00 33.52 H new ATOM 0 HD21 LEU A 63 20.385 14.554 -6.468 1.00 42.11 H new ATOM 0 HD22 LEU A 63 18.715 14.982 -6.907 1.00 42.11 H new ATOM 0 HD23 LEU A 63 19.452 15.666 -5.439 1.00 42.11 H new ATOM 1039 N VAL A 64 16.388 13.578 -1.727 1.00 60.02 N ATOM 1040 CA VAL A 64 15.592 14.116 -0.631 1.00 54.41 C ATOM 1041 C VAL A 64 16.219 15.387 -0.069 1.00 12.04 C ATOM 1042 O VAL A 64 17.439 15.482 0.066 1.00 12.22 O ATOM 1043 CB VAL A 64 15.433 13.089 0.505 1.00 22.22 C ATOM 1044 CG1 VAL A 64 14.442 13.590 1.544 1.00 11.03 C ATOM 1045 CG2 VAL A 64 14.998 11.742 -0.052 1.00 65.31 C ATOM 0 H VAL A 64 17.371 13.430 -1.501 1.00 60.02 H new ATOM 0 HA VAL A 64 14.609 14.349 -1.039 1.00 54.41 H new ATOM 0 HB VAL A 64 16.399 12.960 0.992 1.00 22.22 H new ATOM 0 HG11 VAL A 64 14.343 12.851 2.339 1.00 11.03 H new ATOM 0 HG12 VAL A 64 14.800 14.529 1.965 1.00 11.03 H new ATOM 0 HG13 VAL A 64 13.472 13.750 1.074 1.00 11.03 H new ATOM 0 HG21 VAL A 64 14.890 11.028 0.765 1.00 65.31 H new ATOM 0 HG22 VAL A 64 14.043 11.852 -0.566 1.00 65.31 H new ATOM 0 HG23 VAL A 64 15.748 11.379 -0.755 1.00 65.31 H new ATOM 1055 N ASP A 65 15.377 16.361 0.259 1.00 73.14 N ATOM 1056 CA ASP A 65 15.848 17.627 0.809 1.00 61.43 C ATOM 1057 C ASP A 65 15.410 17.785 2.261 1.00 32.43 C ATOM 1058 O ASP A 65 14.225 17.676 2.580 1.00 61.44 O ATOM 1059 CB ASP A 65 15.324 18.796 -0.025 1.00 52.54 C ATOM 1060 CG ASP A 65 14.004 18.480 -0.701 1.00 41.03 C ATOM 1061 OD1 ASP A 65 14.021 18.124 -1.898 1.00 73.34 O ATOM 1062 OD2 ASP A 65 12.955 18.588 -0.033 1.00 71.11 O ATOM 0 H ASP A 65 14.364 16.298 0.154 1.00 73.14 H new ATOM 0 HA ASP A 65 16.937 17.627 0.775 1.00 61.43 H new ATOM 0 HB2 ASP A 65 15.201 19.669 0.616 1.00 52.54 H new ATOM 0 HB3 ASP A 65 16.063 19.058 -0.782 1.00 52.54 H new ATOM 1067 N THR A 66 16.373 18.041 3.140 1.00 5.45 N ATOM 1068 CA THR A 66 16.088 18.212 4.559 1.00 11.14 C ATOM 1069 C THR A 66 15.039 19.296 4.783 1.00 64.22 C ATOM 1070 O THR A 66 14.371 19.323 5.816 1.00 71.50 O ATOM 1071 CB THR A 66 17.360 18.574 5.349 1.00 61.01 C ATOM 1072 OG1 THR A 66 18.337 19.143 4.470 1.00 71.01 O ATOM 1073 CG2 THR A 66 17.940 17.345 6.033 1.00 44.32 C ATOM 0 H THR A 66 17.358 18.135 2.894 1.00 5.45 H new ATOM 0 HA THR A 66 15.704 17.258 4.920 1.00 11.14 H new ATOM 0 HB THR A 66 17.092 19.303 6.114 1.00 61.01 H new ATOM 0 HG1 THR A 66 19.142 19.372 4.980 1.00 71.01 H new ATOM 0 HG21 THR A 66 18.837 17.625 6.585 1.00 44.32 H new ATOM 0 HG22 THR A 66 17.204 16.931 6.723 1.00 44.32 H new ATOM 0 HG23 THR A 66 18.194 16.597 5.282 1.00 44.32 H new ATOM 1081 N SER A 67 14.900 20.188 3.807 1.00 2.04 N ATOM 1082 CA SER A 67 13.934 21.277 3.899 1.00 23.44 C ATOM 1083 C SER A 67 12.552 20.747 4.269 1.00 22.31 C ATOM 1084 O SER A 67 11.746 21.451 4.878 1.00 51.03 O ATOM 1085 CB SER A 67 13.863 22.037 2.574 1.00 45.22 C ATOM 1086 OG SER A 67 13.838 23.437 2.790 1.00 42.40 O ATOM 0 H SER A 67 15.444 20.178 2.944 1.00 2.04 H new ATOM 0 HA SER A 67 14.265 21.958 4.683 1.00 23.44 H new ATOM 0 HB2 SER A 67 14.722 21.777 1.955 1.00 45.22 H new ATOM 0 HB3 SER A 67 12.971 21.735 2.025 1.00 45.22 H new ATOM 0 HG SER A 67 13.794 23.900 1.928 1.00 42.40 H new ATOM 1092 N THR A 68 12.285 19.499 3.897 1.00 74.23 N ATOM 1093 CA THR A 68 11.001 18.873 4.187 1.00 13.21 C ATOM 1094 C THR A 68 11.119 17.885 5.342 1.00 1.40 C ATOM 1095 O THR A 68 10.154 17.643 6.065 1.00 12.01 O ATOM 1096 CB THR A 68 10.442 18.139 2.954 1.00 71.13 C ATOM 1097 OG1 THR A 68 11.433 17.255 2.419 1.00 22.42 O ATOM 1098 CG2 THR A 68 10.009 19.130 1.884 1.00 43.02 C ATOM 0 H THR A 68 12.941 18.902 3.394 1.00 74.23 H new ATOM 0 HA THR A 68 10.316 19.673 4.466 1.00 13.21 H new ATOM 0 HB THR A 68 9.571 17.562 3.266 1.00 71.13 H new ATOM 0 HG1 THR A 68 11.885 17.688 1.665 1.00 22.42 H new ATOM 0 HG21 THR A 68 9.618 18.588 1.023 1.00 43.02 H new ATOM 0 HG22 THR A 68 9.234 19.783 2.285 1.00 43.02 H new ATOM 0 HG23 THR A 68 10.865 19.730 1.576 1.00 43.02 H new ATOM 1106 N ASN A 69 12.309 17.318 5.510 1.00 44.21 N ATOM 1107 CA ASN A 69 12.554 16.356 6.578 1.00 13.03 C ATOM 1108 C ASN A 69 13.822 16.710 7.349 1.00 33.35 C ATOM 1109 O ASN A 69 14.815 15.983 7.326 1.00 22.04 O ATOM 1110 CB ASN A 69 12.670 14.943 6.003 1.00 24.14 C ATOM 1111 CG ASN A 69 13.821 14.810 5.025 1.00 43.12 C ATOM 1112 OD1 ASN A 69 13.955 15.606 4.095 1.00 2.12 O ATOM 1113 ND2 ASN A 69 14.659 13.800 5.230 1.00 11.32 N ATOM 0 H ASN A 69 13.119 17.508 4.920 1.00 44.21 H new ATOM 0 HA ASN A 69 11.710 16.392 7.267 1.00 13.03 H new ATOM 0 HB2 ASN A 69 12.805 14.232 6.818 1.00 24.14 H new ATOM 0 HB3 ASN A 69 11.739 14.680 5.502 1.00 24.14 H new ATOM 0 HD21 ASN A 69 15.452 13.660 4.604 1.00 11.32 H new ATOM 0 HD22 ASN A 69 14.510 13.164 6.014 1.00 11.32 H new ATOM 1120 N PRO A 70 13.788 17.853 8.050 1.00 25.12 N ATOM 1121 CA PRO A 70 14.926 18.329 8.843 1.00 60.12 C ATOM 1122 C PRO A 70 15.175 17.466 10.075 1.00 3.22 C ATOM 1123 O PRO A 70 16.313 17.100 10.367 1.00 61.40 O ATOM 1124 CB PRO A 70 14.505 19.742 9.255 1.00 33.53 C ATOM 1125 CG PRO A 70 13.015 19.716 9.228 1.00 24.45 C ATOM 1126 CD PRO A 70 12.638 18.769 8.123 1.00 34.32 C ATOM 0 HA PRO A 70 15.858 18.295 8.280 1.00 60.12 H new ATOM 0 HB2 PRO A 70 14.879 19.993 10.248 1.00 33.53 H new ATOM 0 HB3 PRO A 70 14.901 20.489 8.567 1.00 33.53 H new ATOM 0 HG2 PRO A 70 12.613 19.380 10.184 1.00 24.45 H new ATOM 0 HG3 PRO A 70 12.610 20.711 9.044 1.00 24.45 H new ATOM 0 HD2 PRO A 70 11.714 18.236 8.348 1.00 34.32 H new ATOM 0 HD3 PRO A 70 12.482 19.294 7.180 1.00 34.32 H new ATOM 1134 N GLU A 71 14.104 17.146 10.794 1.00 20.51 N ATOM 1135 CA GLU A 71 14.209 16.326 11.996 1.00 75.35 C ATOM 1136 C GLU A 71 14.803 14.958 11.671 1.00 54.10 C ATOM 1137 O GLU A 71 15.410 14.315 12.526 1.00 24.11 O ATOM 1138 CB GLU A 71 12.834 16.156 12.645 1.00 75.41 C ATOM 1139 CG GLU A 71 12.324 17.413 13.330 1.00 23.41 C ATOM 1140 CD GLU A 71 10.821 17.572 13.213 1.00 10.44 C ATOM 1141 OE1 GLU A 71 10.376 18.584 12.631 1.00 71.53 O ATOM 1142 OE2 GLU A 71 10.090 16.687 13.705 1.00 52.45 O ATOM 0 H GLU A 71 13.155 17.441 10.566 1.00 20.51 H new ATOM 0 HA GLU A 71 14.873 16.834 12.695 1.00 75.35 H new ATOM 0 HB2 GLU A 71 12.117 15.852 11.883 1.00 75.41 H new ATOM 0 HB3 GLU A 71 12.884 15.349 13.376 1.00 75.41 H new ATOM 0 HG2 GLU A 71 12.602 17.386 14.384 1.00 23.41 H new ATOM 0 HG3 GLU A 71 12.813 18.284 12.893 1.00 23.41 H new ATOM 1149 N ALA A 72 14.621 14.520 10.429 1.00 1.33 N ATOM 1150 CA ALA A 72 15.140 13.231 9.991 1.00 74.43 C ATOM 1151 C ALA A 72 16.626 13.100 10.306 1.00 12.24 C ATOM 1152 O ALA A 72 17.081 12.058 10.777 1.00 32.33 O ATOM 1153 CB ALA A 72 14.896 13.043 8.500 1.00 3.15 C ATOM 0 H ALA A 72 14.118 15.039 9.709 1.00 1.33 H new ATOM 0 HA ALA A 72 14.610 12.450 10.537 1.00 74.43 H new ATOM 0 HB1 ALA A 72 15.289 12.076 8.186 1.00 3.15 H new ATOM 0 HB2 ALA A 72 13.825 13.083 8.299 1.00 3.15 H new ATOM 0 HB3 ALA A 72 15.399 13.836 7.946 1.00 3.15 H new ATOM 1159 N ARG A 73 17.377 14.164 10.044 1.00 44.35 N ATOM 1160 CA ARG A 73 18.813 14.167 10.298 1.00 11.51 C ATOM 1161 C ARG A 73 19.113 13.714 11.724 1.00 62.44 C ATOM 1162 O ARG A 73 19.738 12.675 11.935 1.00 33.33 O ATOM 1163 CB ARG A 73 19.391 15.564 10.064 1.00 52.42 C ATOM 1164 CG ARG A 73 20.205 15.680 8.786 1.00 40.15 C ATOM 1165 CD ARG A 73 21.697 15.708 9.076 1.00 4.12 C ATOM 1166 NE ARG A 73 22.322 16.944 8.613 1.00 42.13 N ATOM 1167 CZ ARG A 73 22.305 18.080 9.302 1.00 75.34 C ATOM 1168 NH1 ARG A 73 21.697 18.135 10.479 1.00 43.42 N ATOM 1169 NH2 ARG A 73 22.896 19.163 8.813 1.00 33.42 N ATOM 0 H ARG A 73 17.015 15.035 9.656 1.00 44.35 H new ATOM 0 HA ARG A 73 19.281 13.467 9.606 1.00 11.51 H new ATOM 0 HB2 ARG A 73 18.574 16.285 10.031 1.00 52.42 H new ATOM 0 HB3 ARG A 73 20.021 15.834 10.912 1.00 52.42 H new ATOM 0 HG2 ARG A 73 19.976 14.840 8.130 1.00 40.15 H new ATOM 0 HG3 ARG A 73 19.920 16.587 8.253 1.00 40.15 H new ATOM 0 HD2 ARG A 73 21.860 15.599 10.148 1.00 4.12 H new ATOM 0 HD3 ARG A 73 22.176 14.857 8.593 1.00 4.12 H new ATOM 0 HE ARG A 73 22.798 16.935 7.711 1.00 42.13 H new ATOM 0 HH11 ARG A 73 21.241 17.304 10.857 1.00 43.42 H new ATOM 0 HH12 ARG A 73 21.685 19.008 11.007 1.00 43.42 H new ATOM 0 HH21 ARG A 73 23.364 19.124 7.907 1.00 33.42 H new ATOM 0 HH22 ARG A 73 22.882 20.035 9.343 1.00 33.42 H new ATOM 1183 N GLU A 74 18.664 14.500 12.697 1.00 44.33 N ATOM 1184 CA GLU A 74 18.887 14.179 14.102 1.00 52.24 C ATOM 1185 C GLU A 74 18.199 12.869 14.476 1.00 41.32 C ATOM 1186 O GLU A 74 18.643 12.159 15.378 1.00 61.35 O ATOM 1187 CB GLU A 74 18.373 15.311 14.994 1.00 32.10 C ATOM 1188 CG GLU A 74 19.450 16.302 15.402 1.00 62.34 C ATOM 1189 CD GLU A 74 18.917 17.712 15.558 1.00 55.55 C ATOM 1190 OE1 GLU A 74 18.522 18.075 16.686 1.00 54.35 O ATOM 1191 OE2 GLU A 74 18.893 18.453 14.553 1.00 44.24 O ATOM 0 H GLU A 74 18.144 15.363 12.539 1.00 44.33 H new ATOM 0 HA GLU A 74 19.960 14.063 14.257 1.00 52.24 H new ATOM 0 HB2 GLU A 74 17.581 15.844 14.469 1.00 32.10 H new ATOM 0 HB3 GLU A 74 17.928 14.881 15.891 1.00 32.10 H new ATOM 0 HG2 GLU A 74 19.897 15.980 16.343 1.00 62.34 H new ATOM 0 HG3 GLU A 74 20.244 16.298 14.655 1.00 62.34 H new ATOM 1198 N TRP A 75 17.113 12.558 13.777 1.00 24.13 N ATOM 1199 CA TRP A 75 16.363 11.334 14.036 1.00 3.01 C ATOM 1200 C TRP A 75 17.286 10.121 14.041 1.00 24.40 C ATOM 1201 O TRP A 75 17.074 9.170 14.794 1.00 34.00 O ATOM 1202 CB TRP A 75 15.267 11.152 12.986 1.00 74.24 C ATOM 1203 CG TRP A 75 14.178 10.217 13.419 1.00 2.12 C ATOM 1204 CD1 TRP A 75 14.308 8.891 13.719 1.00 11.15 C ATOM 1205 CD2 TRP A 75 12.794 10.538 13.599 1.00 64.32 C ATOM 1206 NE1 TRP A 75 13.088 8.368 14.075 1.00 40.10 N ATOM 1207 CE2 TRP A 75 12.143 9.358 14.010 1.00 65.02 C ATOM 1208 CE3 TRP A 75 12.042 11.707 13.455 1.00 63.54 C ATOM 1209 CZ2 TRP A 75 10.777 9.316 14.276 1.00 65.01 C ATOM 1210 CZ3 TRP A 75 10.687 11.663 13.719 1.00 54.13 C ATOM 1211 CH2 TRP A 75 10.066 10.475 14.126 1.00 15.03 C ATOM 0 H TRP A 75 16.732 13.136 13.027 1.00 24.13 H new ATOM 0 HA TRP A 75 15.903 11.421 15.020 1.00 3.01 H new ATOM 0 HB2 TRP A 75 14.831 12.124 12.754 1.00 74.24 H new ATOM 0 HB3 TRP A 75 15.714 10.776 12.066 1.00 74.24 H new ATOM 0 HD1 TRP A 75 15.233 8.335 13.682 1.00 11.15 H new ATOM 0 HE1 TRP A 75 12.914 7.400 14.344 1.00 40.10 H new ATOM 0 HE3 TRP A 75 12.512 12.628 13.143 1.00 63.54 H new ATOM 0 HZ2 TRP A 75 10.296 8.401 14.589 1.00 65.01 H new ATOM 0 HZ3 TRP A 75 10.096 12.560 13.610 1.00 54.13 H new ATOM 0 HH2 TRP A 75 9.005 10.474 14.325 1.00 15.03 H new ATOM 1222 N TYR A 76 18.312 10.159 13.197 1.00 15.12 N ATOM 1223 CA TYR A 76 19.266 9.061 13.103 1.00 31.13 C ATOM 1224 C TYR A 76 20.698 9.570 13.241 1.00 74.04 C ATOM 1225 O TYR A 76 21.655 8.838 12.992 1.00 13.32 O ATOM 1226 CB TYR A 76 19.100 8.325 11.772 1.00 12.54 C ATOM 1227 CG TYR A 76 19.848 7.013 11.708 1.00 3.31 C ATOM 1228 CD1 TYR A 76 19.682 6.047 12.693 1.00 3.52 C ATOM 1229 CD2 TYR A 76 20.722 6.740 10.663 1.00 21.42 C ATOM 1230 CE1 TYR A 76 20.364 4.847 12.639 1.00 5.41 C ATOM 1231 CE2 TYR A 76 21.407 5.542 10.600 1.00 23.22 C ATOM 1232 CZ TYR A 76 21.225 4.599 11.590 1.00 3.05 C ATOM 1233 OH TYR A 76 21.907 3.405 11.532 1.00 2.21 O ATOM 0 H TYR A 76 18.504 10.939 12.568 1.00 15.12 H new ATOM 0 HA TYR A 76 19.065 8.368 13.920 1.00 31.13 H new ATOM 0 HB2 TYR A 76 18.040 8.138 11.600 1.00 12.54 H new ATOM 0 HB3 TYR A 76 19.445 8.970 10.964 1.00 12.54 H new ATOM 0 HD1 TYR A 76 19.008 6.238 13.515 1.00 3.52 H new ATOM 0 HD2 TYR A 76 20.868 7.477 9.887 1.00 21.42 H new ATOM 0 HE1 TYR A 76 20.224 4.107 13.413 1.00 5.41 H new ATOM 0 HE2 TYR A 76 22.081 5.345 9.780 1.00 23.22 H new ATOM 0 HH TYR A 76 22.470 3.389 10.730 1.00 2.21 H new ATOM 1243 N ASN A 77 20.835 10.831 13.639 1.00 73.51 N ATOM 1244 CA ASN A 77 22.149 11.439 13.810 1.00 12.41 C ATOM 1245 C ASN A 77 23.010 11.233 12.568 1.00 51.03 C ATOM 1246 O ASN A 77 23.728 10.239 12.456 1.00 30.11 O ATOM 1247 CB ASN A 77 22.851 10.850 15.035 1.00 43.11 C ATOM 1248 CG ASN A 77 24.339 11.146 15.046 1.00 34.05 C ATOM 1249 OD1 ASN A 77 25.160 10.265 14.791 1.00 40.44 O ATOM 1250 ND2 ASN A 77 24.692 12.391 15.345 1.00 73.05 N ATOM 0 H ASN A 77 20.053 11.451 13.849 1.00 73.51 H new ATOM 0 HA ASN A 77 22.010 12.510 13.959 1.00 12.41 H new ATOM 0 HB2 ASN A 77 22.396 11.253 15.940 1.00 43.11 H new ATOM 0 HB3 ASN A 77 22.698 9.771 15.055 1.00 43.11 H new ATOM 0 HD21 ASN A 77 25.678 12.649 15.370 1.00 73.05 H new ATOM 0 HD22 ASN A 77 23.977 13.089 15.550 1.00 73.05 H new ATOM 1257 N ILE A 78 22.933 12.179 11.637 1.00 31.35 N ATOM 1258 CA ILE A 78 23.706 12.101 10.404 1.00 3.34 C ATOM 1259 C ILE A 78 24.823 13.139 10.390 1.00 4.32 C ATOM 1260 O ILE A 78 24.568 14.344 10.399 1.00 33.13 O ATOM 1261 CB ILE A 78 22.814 12.307 9.166 1.00 12.13 C ATOM 1262 CG1 ILE A 78 22.105 11.002 8.799 1.00 63.24 C ATOM 1263 CG2 ILE A 78 23.642 12.815 7.995 1.00 33.21 C ATOM 1264 CD1 ILE A 78 23.044 9.922 8.309 1.00 63.24 C ATOM 0 H ILE A 78 22.343 13.008 11.714 1.00 31.35 H new ATOM 0 HA ILE A 78 24.140 11.102 10.366 1.00 3.34 H new ATOM 0 HB ILE A 78 22.057 13.055 9.402 1.00 12.13 H new ATOM 0 HG12 ILE A 78 21.564 10.634 9.671 1.00 63.24 H new ATOM 0 HG13 ILE A 78 21.363 11.206 8.026 1.00 63.24 H new ATOM 0 HG21 ILE A 78 22.997 12.956 7.127 1.00 33.21 H new ATOM 0 HG22 ILE A 78 24.104 13.765 8.261 1.00 33.21 H new ATOM 0 HG23 ILE A 78 24.418 12.088 7.756 1.00 33.21 H new ATOM 0 HD11 ILE A 78 22.473 9.026 8.067 1.00 63.24 H new ATOM 0 HD12 ILE A 78 23.566 10.271 7.418 1.00 63.24 H new ATOM 0 HD13 ILE A 78 23.770 9.690 9.088 1.00 63.24 H new ATOM 1276 N THR A 79 26.065 12.664 10.366 1.00 51.30 N ATOM 1277 CA THR A 79 27.222 13.550 10.350 1.00 50.35 C ATOM 1278 C THR A 79 27.698 13.806 8.924 1.00 4.23 C ATOM 1279 O THR A 79 28.213 14.881 8.615 1.00 24.43 O ATOM 1280 CB THR A 79 28.387 12.968 11.171 1.00 23.24 C ATOM 1281 OG1 THR A 79 28.470 11.553 10.970 1.00 75.50 O ATOM 1282 CG2 THR A 79 28.206 13.265 12.652 1.00 25.34 C ATOM 0 H THR A 79 26.295 11.670 10.357 1.00 51.30 H new ATOM 0 HA THR A 79 26.906 14.491 10.800 1.00 50.35 H new ATOM 0 HB THR A 79 29.311 13.437 10.832 1.00 23.24 H new ATOM 0 HG1 THR A 79 29.215 11.191 11.494 1.00 75.50 H new ATOM 0 HG21 THR A 79 29.041 12.844 13.212 1.00 25.34 H new ATOM 0 HG22 THR A 79 28.173 14.344 12.805 1.00 25.34 H new ATOM 0 HG23 THR A 79 27.274 12.820 13.001 1.00 25.34 H new ATOM 1290 N SER A 80 27.523 12.812 8.059 1.00 14.51 N ATOM 1291 CA SER A 80 27.938 12.929 6.666 1.00 13.41 C ATOM 1292 C SER A 80 26.740 13.214 5.764 1.00 23.54 C ATOM 1293 O SER A 80 26.026 12.298 5.355 1.00 50.44 O ATOM 1294 CB SER A 80 28.640 11.648 6.212 1.00 51.30 C ATOM 1295 OG SER A 80 28.133 10.518 6.899 1.00 32.44 O ATOM 0 H SER A 80 27.097 11.917 8.298 1.00 14.51 H new ATOM 0 HA SER A 80 28.635 13.763 6.589 1.00 13.41 H new ATOM 0 HB2 SER A 80 28.504 11.516 5.139 1.00 51.30 H new ATOM 0 HB3 SER A 80 29.712 11.735 6.389 1.00 51.30 H new ATOM 0 HG SER A 80 27.162 10.471 6.779 1.00 32.44 H new ATOM 1301 N VAL A 81 26.527 14.490 5.459 1.00 31.43 N ATOM 1302 CA VAL A 81 25.417 14.896 4.605 1.00 2.24 C ATOM 1303 C VAL A 81 25.158 13.865 3.513 1.00 41.23 C ATOM 1304 O VAL A 81 24.067 13.308 3.397 1.00 74.50 O ATOM 1305 CB VAL A 81 25.684 16.265 3.952 1.00 64.14 C ATOM 1306 CG1 VAL A 81 24.523 17.214 4.205 1.00 73.35 C ATOM 1307 CG2 VAL A 81 26.988 16.856 4.467 1.00 30.21 C ATOM 0 H VAL A 81 27.108 15.260 5.790 1.00 31.43 H new ATOM 0 HA VAL A 81 24.537 14.972 5.244 1.00 2.24 H new ATOM 0 HB VAL A 81 25.776 16.122 2.875 1.00 64.14 H new ATOM 0 HG11 VAL A 81 24.730 18.176 3.736 1.00 73.35 H new ATOM 0 HG12 VAL A 81 23.611 16.793 3.782 1.00 73.35 H new ATOM 0 HG13 VAL A 81 24.395 17.354 5.278 1.00 73.35 H new ATOM 0 HG21 VAL A 81 27.161 17.823 3.995 1.00 30.21 H new ATOM 0 HG22 VAL A 81 26.927 16.985 5.548 1.00 30.21 H new ATOM 0 HG23 VAL A 81 27.812 16.183 4.228 1.00 30.21 H new ATOM 1317 N PRO A 82 26.185 13.604 2.691 1.00 61.45 N ATOM 1318 CA PRO A 82 26.094 12.637 1.592 1.00 34.03 C ATOM 1319 C PRO A 82 26.000 11.199 2.092 1.00 50.32 C ATOM 1320 O PRO A 82 26.985 10.460 2.077 1.00 74.24 O ATOM 1321 CB PRO A 82 27.399 12.851 0.822 1.00 54.35 C ATOM 1322 CG PRO A 82 28.347 13.405 1.828 1.00 12.04 C ATOM 1323 CD PRO A 82 27.515 14.231 2.770 1.00 11.11 C ATOM 0 HA PRO A 82 25.198 12.788 0.989 1.00 34.03 H new ATOM 0 HB2 PRO A 82 27.769 11.915 0.403 1.00 54.35 H new ATOM 0 HB3 PRO A 82 27.259 13.540 -0.011 1.00 54.35 H new ATOM 0 HG2 PRO A 82 28.862 12.606 2.361 1.00 12.04 H new ATOM 0 HG3 PRO A 82 29.114 14.014 1.348 1.00 12.04 H new ATOM 0 HD2 PRO A 82 27.912 14.205 3.785 1.00 11.11 H new ATOM 0 HD3 PRO A 82 27.484 15.278 2.467 1.00 11.11 H new ATOM 1331 N THR A 83 24.809 10.808 2.534 1.00 20.35 N ATOM 1332 CA THR A 83 24.587 9.459 3.039 1.00 30.32 C ATOM 1333 C THR A 83 23.745 8.640 2.068 1.00 74.12 C ATOM 1334 O THR A 83 23.111 9.188 1.165 1.00 22.13 O ATOM 1335 CB THR A 83 23.890 9.480 4.413 1.00 43.42 C ATOM 1336 OG1 THR A 83 23.949 10.798 4.971 1.00 73.20 O ATOM 1337 CG2 THR A 83 24.543 8.491 5.366 1.00 31.23 C ATOM 0 H THR A 83 23.983 11.407 2.552 1.00 20.35 H new ATOM 0 HA THR A 83 25.568 8.996 3.145 1.00 30.32 H new ATOM 0 HB THR A 83 22.848 9.191 4.273 1.00 43.42 H new ATOM 0 HG1 THR A 83 24.870 10.999 5.239 1.00 73.20 H new ATOM 0 HG21 THR A 83 24.034 8.524 6.329 1.00 31.23 H new ATOM 0 HG22 THR A 83 24.472 7.485 4.952 1.00 31.23 H new ATOM 0 HG23 THR A 83 25.592 8.754 5.501 1.00 31.23 H new ATOM 1345 N PHE A 84 23.741 7.325 2.258 1.00 33.24 N ATOM 1346 CA PHE A 84 22.976 6.430 1.398 1.00 35.21 C ATOM 1347 C PHE A 84 22.223 5.391 2.225 1.00 3.54 C ATOM 1348 O PHE A 84 22.826 4.487 2.804 1.00 13.21 O ATOM 1349 CB PHE A 84 23.902 5.730 0.401 1.00 10.43 C ATOM 1350 CG PHE A 84 23.975 6.417 -0.933 1.00 31.23 C ATOM 1351 CD1 PHE A 84 25.183 6.893 -1.417 1.00 33.32 C ATOM 1352 CD2 PHE A 84 22.835 6.587 -1.702 1.00 63.34 C ATOM 1353 CE1 PHE A 84 25.253 7.524 -2.644 1.00 44.52 C ATOM 1354 CE2 PHE A 84 22.900 7.217 -2.931 1.00 11.25 C ATOM 1355 CZ PHE A 84 24.110 7.688 -3.401 1.00 61.25 C ATOM 0 H PHE A 84 24.259 6.855 3.000 1.00 33.24 H new ATOM 0 HA PHE A 84 22.249 7.029 0.850 1.00 35.21 H new ATOM 0 HB2 PHE A 84 24.904 5.672 0.826 1.00 10.43 H new ATOM 0 HB3 PHE A 84 23.558 4.706 0.255 1.00 10.43 H new ATOM 0 HD1 PHE A 84 26.080 6.769 -0.828 1.00 33.32 H new ATOM 0 HD2 PHE A 84 21.886 6.224 -1.338 1.00 63.34 H new ATOM 0 HE1 PHE A 84 26.201 7.889 -3.011 1.00 44.52 H new ATOM 0 HE2 PHE A 84 22.005 7.341 -3.523 1.00 11.25 H new ATOM 0 HZ PHE A 84 24.162 8.184 -4.359 1.00 61.25 H new ATOM 1365 N VAL A 85 20.902 5.529 2.277 1.00 61.32 N ATOM 1366 CA VAL A 85 20.066 4.603 3.032 1.00 2.33 C ATOM 1367 C VAL A 85 19.201 3.760 2.102 1.00 25.45 C ATOM 1368 O VAL A 85 18.588 4.278 1.169 1.00 33.32 O ATOM 1369 CB VAL A 85 19.156 5.351 4.024 1.00 13.13 C ATOM 1370 CG1 VAL A 85 18.659 4.408 5.109 1.00 24.33 C ATOM 1371 CG2 VAL A 85 19.891 6.536 4.632 1.00 12.30 C ATOM 0 H VAL A 85 20.388 6.273 1.805 1.00 61.32 H new ATOM 0 HA VAL A 85 20.739 3.950 3.588 1.00 2.33 H new ATOM 0 HB VAL A 85 18.290 5.730 3.481 1.00 13.13 H new ATOM 0 HG11 VAL A 85 18.018 4.955 5.800 1.00 24.33 H new ATOM 0 HG12 VAL A 85 18.093 3.596 4.654 1.00 24.33 H new ATOM 0 HG13 VAL A 85 19.510 3.997 5.652 1.00 24.33 H new ATOM 0 HG21 VAL A 85 19.233 7.053 5.330 1.00 12.30 H new ATOM 0 HG22 VAL A 85 20.776 6.183 5.161 1.00 12.30 H new ATOM 0 HG23 VAL A 85 20.191 7.223 3.841 1.00 12.30 H new ATOM 1381 N ILE A 86 19.157 2.458 2.364 1.00 63.40 N ATOM 1382 CA ILE A 86 18.366 1.542 1.551 1.00 1.13 C ATOM 1383 C ILE A 86 17.205 0.960 2.351 1.00 43.31 C ATOM 1384 O ILE A 86 17.404 0.372 3.413 1.00 63.30 O ATOM 1385 CB ILE A 86 19.227 0.388 1.003 1.00 13.34 C ATOM 1386 CG1 ILE A 86 20.605 0.905 0.586 1.00 21.11 C ATOM 1387 CG2 ILE A 86 18.529 -0.282 -0.170 1.00 75.04 C ATOM 1388 CD1 ILE A 86 21.565 -0.193 0.183 1.00 1.52 C ATOM 0 H ILE A 86 19.660 2.014 3.132 1.00 63.40 H new ATOM 0 HA ILE A 86 17.974 2.121 0.714 1.00 1.13 H new ATOM 0 HB ILE A 86 19.361 -0.353 1.792 1.00 13.34 H new ATOM 0 HG12 ILE A 86 20.487 1.598 -0.247 1.00 21.11 H new ATOM 0 HG13 ILE A 86 21.038 1.470 1.412 1.00 21.11 H new ATOM 0 HG21 ILE A 86 19.150 -1.095 -0.546 1.00 75.04 H new ATOM 0 HG22 ILE A 86 17.568 -0.680 0.157 1.00 75.04 H new ATOM 0 HG23 ILE A 86 18.368 0.448 -0.963 1.00 75.04 H new ATOM 0 HD11 ILE A 86 22.522 0.246 -0.100 1.00 1.52 H new ATOM 0 HD12 ILE A 86 21.712 -0.874 1.022 1.00 1.52 H new ATOM 0 HD13 ILE A 86 21.154 -0.744 -0.663 1.00 1.52 H new ATOM 1400 N GLU A 87 15.993 1.128 1.832 1.00 41.15 N ATOM 1401 CA GLU A 87 14.800 0.618 2.497 1.00 2.24 C ATOM 1402 C GLU A 87 13.984 -0.261 1.554 1.00 3.00 C ATOM 1403 O GLU A 87 14.007 -0.074 0.337 1.00 32.13 O ATOM 1404 CB GLU A 87 13.939 1.776 3.006 1.00 32.01 C ATOM 1405 CG GLU A 87 13.396 2.663 1.898 1.00 11.14 C ATOM 1406 CD GLU A 87 12.148 2.093 1.253 1.00 71.30 C ATOM 1407 OE1 GLU A 87 11.560 1.152 1.828 1.00 45.22 O ATOM 1408 OE2 GLU A 87 11.759 2.586 0.174 1.00 71.11 O ATOM 0 H GLU A 87 15.811 1.613 0.953 1.00 41.15 H new ATOM 0 HA GLU A 87 15.119 0.012 3.345 1.00 2.24 H new ATOM 0 HB2 GLU A 87 13.104 1.373 3.579 1.00 32.01 H new ATOM 0 HB3 GLU A 87 14.531 2.384 3.690 1.00 32.01 H new ATOM 0 HG2 GLU A 87 13.172 3.649 2.304 1.00 11.14 H new ATOM 0 HG3 GLU A 87 14.164 2.798 1.137 1.00 11.14 H new ATOM 1415 N LYS A 88 13.264 -1.221 2.124 1.00 25.32 N ATOM 1416 CA LYS A 88 12.440 -2.130 1.337 1.00 62.24 C ATOM 1417 C LYS A 88 11.065 -2.307 1.973 1.00 40.14 C ATOM 1418 O LYS A 88 10.758 -3.361 2.528 1.00 71.04 O ATOM 1419 CB LYS A 88 13.130 -3.490 1.202 1.00 52.34 C ATOM 1420 CG LYS A 88 12.330 -4.500 0.398 1.00 70.31 C ATOM 1421 CD LYS A 88 12.249 -5.840 1.110 1.00 35.20 C ATOM 1422 CE LYS A 88 10.915 -6.526 0.856 1.00 31.13 C ATOM 1423 NZ LYS A 88 10.028 -6.474 2.052 1.00 64.53 N ATOM 0 H LYS A 88 13.235 -1.390 3.130 1.00 25.32 H new ATOM 0 HA LYS A 88 12.309 -1.696 0.346 1.00 62.24 H new ATOM 0 HB2 LYS A 88 14.102 -3.350 0.729 1.00 52.34 H new ATOM 0 HB3 LYS A 88 13.315 -3.895 2.197 1.00 52.34 H new ATOM 0 HG2 LYS A 88 11.324 -4.116 0.227 1.00 70.31 H new ATOM 0 HG3 LYS A 88 12.790 -4.634 -0.581 1.00 70.31 H new ATOM 0 HD2 LYS A 88 13.061 -6.483 0.770 1.00 35.20 H new ATOM 0 HD3 LYS A 88 12.386 -5.693 2.181 1.00 35.20 H new ATOM 0 HE2 LYS A 88 10.416 -6.049 0.013 1.00 31.13 H new ATOM 0 HE3 LYS A 88 11.088 -7.565 0.577 1.00 31.13 H new ATOM 0 HZ1 LYS A 88 9.055 -6.716 1.774 1.00 64.53 H new ATOM 0 HZ2 LYS A 88 10.364 -7.155 2.763 1.00 64.53 H new ATOM 0 HZ3 LYS A 88 10.045 -5.515 2.455 1.00 64.53 H new ATOM 1437 N GLY A 89 10.240 -1.268 1.886 1.00 11.23 N ATOM 1438 CA GLY A 89 8.907 -1.330 2.457 1.00 51.34 C ATOM 1439 C GLY A 89 8.904 -1.889 3.865 1.00 23.04 C ATOM 1440 O GLY A 89 8.152 -2.813 4.173 1.00 41.41 O ATOM 0 H GLY A 89 10.471 -0.385 1.431 1.00 11.23 H new ATOM 0 HA2 GLY A 89 8.472 -0.331 2.466 1.00 51.34 H new ATOM 0 HA3 GLY A 89 8.272 -1.949 1.823 1.00 51.34 H new ATOM 1444 N GLY A 90 9.750 -1.329 4.725 1.00 45.23 N ATOM 1445 CA GLY A 90 9.828 -1.792 6.098 1.00 42.41 C ATOM 1446 C GLY A 90 10.839 -1.013 6.916 1.00 40.31 C ATOM 1447 O GLY A 90 10.496 -0.016 7.552 1.00 63.45 O ATOM 0 H GLY A 90 10.383 -0.563 4.495 1.00 45.23 H new ATOM 0 HA2 GLY A 90 8.846 -1.707 6.563 1.00 42.41 H new ATOM 0 HA3 GLY A 90 10.095 -2.849 6.107 1.00 42.41 H new ATOM 1451 N GLU A 91 12.088 -1.469 6.901 1.00 14.32 N ATOM 1452 CA GLU A 91 13.150 -0.808 7.650 1.00 63.20 C ATOM 1453 C GLU A 91 14.448 -0.785 6.847 1.00 11.52 C ATOM 1454 O GLU A 91 14.609 -1.500 5.858 1.00 32.24 O ATOM 1455 CB GLU A 91 13.378 -1.516 8.987 1.00 0.14 C ATOM 1456 CG GLU A 91 12.709 -0.824 10.164 1.00 63.45 C ATOM 1457 CD GLU A 91 13.115 -1.420 11.498 1.00 42.41 C ATOM 1458 OE1 GLU A 91 12.742 -0.844 12.542 1.00 71.04 O ATOM 1459 OE2 GLU A 91 13.806 -2.460 11.499 1.00 53.13 O ATOM 0 H GLU A 91 12.389 -2.292 6.379 1.00 14.32 H new ATOM 0 HA GLU A 91 12.841 0.220 7.839 1.00 63.20 H new ATOM 0 HB2 GLU A 91 13.004 -2.537 8.916 1.00 0.14 H new ATOM 0 HB3 GLU A 91 14.450 -1.581 9.176 1.00 0.14 H new ATOM 0 HG2 GLU A 91 12.964 0.236 10.151 1.00 63.45 H new ATOM 0 HG3 GLU A 91 11.627 -0.893 10.054 1.00 63.45 H new ATOM 1466 N PRO A 92 15.396 0.059 7.281 1.00 24.33 N ATOM 1467 CA PRO A 92 16.696 0.197 6.618 1.00 24.22 C ATOM 1468 C PRO A 92 17.573 -1.038 6.799 1.00 42.43 C ATOM 1469 O PRO A 92 17.867 -1.444 7.924 1.00 71.23 O ATOM 1470 CB PRO A 92 17.324 1.405 7.317 1.00 43.41 C ATOM 1471 CG PRO A 92 16.674 1.449 8.656 1.00 31.35 C ATOM 1472 CD PRO A 92 15.273 0.942 8.453 1.00 31.22 C ATOM 0 HA PRO A 92 16.593 0.317 5.540 1.00 24.22 H new ATOM 0 HB2 PRO A 92 18.405 1.293 7.405 1.00 43.41 H new ATOM 0 HB3 PRO A 92 17.143 2.324 6.759 1.00 43.41 H new ATOM 0 HG2 PRO A 92 17.213 0.829 9.372 1.00 31.35 H new ATOM 0 HG3 PRO A 92 16.668 2.464 9.054 1.00 31.35 H new ATOM 0 HD2 PRO A 92 14.911 0.401 9.327 1.00 31.22 H new ATOM 0 HD3 PRO A 92 14.573 1.757 8.270 1.00 31.22 H new ATOM 1480 N LEU A 93 17.989 -1.630 5.685 1.00 61.03 N ATOM 1481 CA LEU A 93 18.834 -2.819 5.720 1.00 53.11 C ATOM 1482 C LEU A 93 20.226 -2.514 5.178 1.00 44.33 C ATOM 1483 O LEU A 93 21.182 -3.239 5.449 1.00 21.31 O ATOM 1484 CB LEU A 93 18.194 -3.947 4.909 1.00 62.22 C ATOM 1485 CG LEU A 93 18.446 -5.367 5.419 1.00 42.45 C ATOM 1486 CD1 LEU A 93 17.142 -6.144 5.501 1.00 54.25 C ATOM 1487 CD2 LEU A 93 19.443 -6.086 4.521 1.00 35.44 C ATOM 0 H LEU A 93 17.755 -1.306 4.746 1.00 61.03 H new ATOM 0 HA LEU A 93 18.930 -3.136 6.758 1.00 53.11 H new ATOM 0 HB2 LEU A 93 17.117 -3.779 4.878 1.00 62.22 H new ATOM 0 HB3 LEU A 93 18.557 -3.881 3.883 1.00 62.22 H new ATOM 0 HG LEU A 93 18.870 -5.303 6.421 1.00 42.45 H new ATOM 0 HD11 LEU A 93 17.341 -7.152 5.866 1.00 54.25 H new ATOM 0 HD12 LEU A 93 16.460 -5.639 6.185 1.00 54.25 H new ATOM 0 HD13 LEU A 93 16.689 -6.199 4.511 1.00 54.25 H new ATOM 0 HD21 LEU A 93 19.611 -7.095 4.898 1.00 35.44 H new ATOM 0 HD22 LEU A 93 19.047 -6.139 3.507 1.00 35.44 H new ATOM 0 HD23 LEU A 93 20.386 -5.540 4.514 1.00 35.44 H new ATOM 1499 N GLY A 94 20.334 -1.433 4.411 1.00 53.22 N ATOM 1500 CA GLY A 94 21.614 -1.049 3.844 1.00 34.24 C ATOM 1501 C GLY A 94 22.065 0.322 4.308 1.00 61.43 C ATOM 1502 O GLY A 94 21.251 1.231 4.459 1.00 14.35 O ATOM 0 H GLY A 94 19.558 -0.816 4.172 1.00 53.22 H new ATOM 0 HA2 GLY A 94 22.366 -1.788 4.119 1.00 34.24 H new ATOM 0 HA3 GLY A 94 21.543 -1.056 2.756 1.00 34.24 H new ATOM 1506 N GLU A 95 23.367 0.469 4.534 1.00 13.03 N ATOM 1507 CA GLU A 95 23.924 1.739 4.986 1.00 72.22 C ATOM 1508 C GLU A 95 25.294 1.985 4.361 1.00 71.25 C ATOM 1509 O GLU A 95 26.157 1.107 4.365 1.00 44.40 O ATOM 1510 CB GLU A 95 24.037 1.758 6.512 1.00 75.14 C ATOM 1511 CG GLU A 95 25.176 0.908 7.048 1.00 31.15 C ATOM 1512 CD GLU A 95 24.829 0.227 8.358 1.00 73.31 C ATOM 1513 OE1 GLU A 95 24.585 -0.998 8.342 1.00 31.23 O ATOM 1514 OE2 GLU A 95 24.800 0.918 9.398 1.00 65.44 O ATOM 0 H GLU A 95 24.055 -0.274 4.412 1.00 13.03 H new ATOM 0 HA GLU A 95 23.250 2.535 4.669 1.00 72.22 H new ATOM 0 HB2 GLU A 95 24.175 2.787 6.845 1.00 75.14 H new ATOM 0 HB3 GLU A 95 23.099 1.407 6.942 1.00 75.14 H new ATOM 0 HG2 GLU A 95 25.439 0.152 6.308 1.00 31.15 H new ATOM 0 HG3 GLU A 95 26.056 1.535 7.191 1.00 31.15 H new ATOM 1521 N VAL A 96 25.485 3.185 3.822 1.00 3.13 N ATOM 1522 CA VAL A 96 26.750 3.548 3.193 1.00 14.24 C ATOM 1523 C VAL A 96 27.014 5.045 3.315 1.00 71.34 C ATOM 1524 O VAL A 96 26.087 5.855 3.287 1.00 61.32 O ATOM 1525 CB VAL A 96 26.770 3.153 1.705 1.00 54.43 C ATOM 1526 CG1 VAL A 96 28.079 3.577 1.057 1.00 22.13 C ATOM 1527 CG2 VAL A 96 26.547 1.657 1.548 1.00 63.32 C ATOM 0 H VAL A 96 24.780 3.922 3.808 1.00 3.13 H new ATOM 0 HA VAL A 96 27.533 3.000 3.717 1.00 14.24 H new ATOM 0 HB VAL A 96 25.957 3.673 1.198 1.00 54.43 H new ATOM 0 HG11 VAL A 96 28.074 3.289 0.006 1.00 22.13 H new ATOM 0 HG12 VAL A 96 28.191 4.658 1.137 1.00 22.13 H new ATOM 0 HG13 VAL A 96 28.911 3.088 1.563 1.00 22.13 H new ATOM 0 HG21 VAL A 96 26.564 1.396 0.490 1.00 63.32 H new ATOM 0 HG22 VAL A 96 27.336 1.115 2.069 1.00 63.32 H new ATOM 0 HG23 VAL A 96 25.580 1.387 1.973 1.00 63.32 H new ATOM 1537 N LYS A 97 28.285 5.406 3.449 1.00 44.32 N ATOM 1538 CA LYS A 97 28.674 6.806 3.573 1.00 43.14 C ATOM 1539 C LYS A 97 30.016 7.060 2.893 1.00 3.05 C ATOM 1540 O LYS A 97 30.914 6.220 2.937 1.00 31.21 O ATOM 1541 CB LYS A 97 28.753 7.206 5.048 1.00 43.24 C ATOM 1542 CG LYS A 97 29.947 6.613 5.776 1.00 42.24 C ATOM 1543 CD LYS A 97 30.957 7.683 6.155 1.00 42.34 C ATOM 1544 CE LYS A 97 31.799 7.258 7.348 1.00 72.21 C ATOM 1545 NZ LYS A 97 33.242 7.563 7.146 1.00 63.24 N ATOM 0 H LYS A 97 29.064 4.748 3.475 1.00 44.32 H new ATOM 0 HA LYS A 97 27.916 7.413 3.079 1.00 43.14 H new ATOM 0 HB2 LYS A 97 28.798 8.293 5.119 1.00 43.24 H new ATOM 0 HB3 LYS A 97 27.839 6.891 5.551 1.00 43.24 H new ATOM 0 HG2 LYS A 97 29.607 6.098 6.674 1.00 42.24 H new ATOM 0 HG3 LYS A 97 30.427 5.867 5.143 1.00 42.24 H new ATOM 0 HD2 LYS A 97 31.607 7.889 5.305 1.00 42.34 H new ATOM 0 HD3 LYS A 97 30.435 8.611 6.389 1.00 42.34 H new ATOM 0 HE2 LYS A 97 31.442 7.767 8.244 1.00 72.21 H new ATOM 0 HE3 LYS A 97 31.674 6.189 7.518 1.00 72.21 H new ATOM 0 HZ1 LYS A 97 33.781 7.258 7.981 1.00 63.24 H new ATOM 0 HZ2 LYS A 97 33.589 7.058 6.306 1.00 63.24 H new ATOM 0 HZ3 LYS A 97 33.365 8.587 7.009 1.00 63.24 H new ATOM 1559 N GLY A 98 30.146 8.226 2.267 1.00 65.41 N ATOM 1560 CA GLY A 98 31.383 8.569 1.589 1.00 53.40 C ATOM 1561 C GLY A 98 31.247 8.527 0.080 1.00 45.12 C ATOM 1562 O GLY A 98 30.289 7.977 -0.464 1.00 5.12 O ATOM 0 H GLY A 98 29.418 8.938 2.217 1.00 65.41 H new ATOM 0 HA2 GLY A 98 31.697 9.567 1.895 1.00 53.40 H new ATOM 0 HA3 GLY A 98 32.168 7.879 1.900 1.00 53.40 H new ATOM 1566 N PRO A 99 32.224 9.121 -0.623 1.00 32.24 N ATOM 1567 CA PRO A 99 32.231 9.163 -2.088 1.00 4.22 C ATOM 1568 C PRO A 99 32.486 7.793 -2.706 1.00 71.31 C ATOM 1569 O PRO A 99 33.618 7.461 -3.060 1.00 14.31 O ATOM 1570 CB PRO A 99 33.385 10.117 -2.409 1.00 54.21 C ATOM 1571 CG PRO A 99 34.288 10.031 -1.228 1.00 21.23 C ATOM 1572 CD PRO A 99 33.396 9.796 -0.040 1.00 72.04 C ATOM 0 HA PRO A 99 31.270 9.482 -2.491 1.00 4.22 H new ATOM 0 HB2 PRO A 99 33.900 9.822 -3.323 1.00 54.21 H new ATOM 0 HB3 PRO A 99 33.026 11.135 -2.560 1.00 54.21 H new ATOM 0 HG2 PRO A 99 35.005 9.219 -1.344 1.00 21.23 H new ATOM 0 HG3 PRO A 99 34.863 10.949 -1.109 1.00 21.23 H new ATOM 0 HD2 PRO A 99 33.884 9.176 0.713 1.00 72.04 H new ATOM 0 HD3 PRO A 99 33.120 10.731 0.447 1.00 72.04 H new ATOM 1580 N ASP A 100 31.427 7.001 -2.834 1.00 22.34 N ATOM 1581 CA ASP A 100 31.536 5.666 -3.411 1.00 71.10 C ATOM 1582 C ASP A 100 30.421 5.419 -4.423 1.00 3.20 C ATOM 1583 O ASP A 100 29.801 4.356 -4.430 1.00 75.30 O ATOM 1584 CB ASP A 100 31.486 4.605 -2.310 1.00 43.32 C ATOM 1585 CG ASP A 100 30.119 4.505 -1.664 1.00 55.00 C ATOM 1586 OD1 ASP A 100 29.777 5.394 -0.855 1.00 65.33 O ATOM 1587 OD2 ASP A 100 29.389 3.538 -1.968 1.00 12.44 O ATOM 0 H ASP A 100 30.483 7.260 -2.546 1.00 22.34 H new ATOM 0 HA ASP A 100 32.493 5.598 -3.927 1.00 71.10 H new ATOM 0 HB2 ASP A 100 31.758 3.637 -2.730 1.00 43.32 H new ATOM 0 HB3 ASP A 100 32.228 4.841 -1.548 1.00 43.32 H new ATOM 1592 N ILE A 101 30.173 6.408 -5.275 1.00 13.35 N ATOM 1593 CA ILE A 101 29.133 6.298 -6.290 1.00 41.03 C ATOM 1594 C ILE A 101 29.373 5.093 -7.193 1.00 74.05 C ATOM 1595 O ILE A 101 28.431 4.511 -7.731 1.00 72.55 O ATOM 1596 CB ILE A 101 29.056 7.568 -7.158 1.00 5.33 C ATOM 1597 CG1 ILE A 101 28.467 8.728 -6.352 1.00 23.23 C ATOM 1598 CG2 ILE A 101 28.226 7.308 -8.406 1.00 5.12 C ATOM 1599 CD1 ILE A 101 27.030 8.506 -5.935 1.00 61.45 C ATOM 0 H ILE A 101 30.678 7.294 -5.282 1.00 13.35 H new ATOM 0 HA ILE A 101 28.188 6.172 -5.761 1.00 41.03 H new ATOM 0 HB ILE A 101 30.065 7.840 -7.467 1.00 5.33 H new ATOM 0 HG12 ILE A 101 29.075 8.886 -5.461 1.00 23.23 H new ATOM 0 HG13 ILE A 101 28.528 9.640 -6.946 1.00 23.23 H new ATOM 0 HG21 ILE A 101 28.181 8.215 -9.009 1.00 5.12 H new ATOM 0 HG22 ILE A 101 28.684 6.508 -8.988 1.00 5.12 H new ATOM 0 HG23 ILE A 101 27.217 7.014 -8.117 1.00 5.12 H new ATOM 0 HD11 ILE A 101 26.678 9.368 -5.368 1.00 61.45 H new ATOM 0 HD12 ILE A 101 26.409 8.378 -6.822 1.00 61.45 H new ATOM 0 HD13 ILE A 101 26.965 7.612 -5.314 1.00 61.45 H new ATOM 1611 N ASP A 102 30.638 4.723 -7.354 1.00 4.31 N ATOM 1612 CA ASP A 102 31.003 3.585 -8.190 1.00 15.13 C ATOM 1613 C ASP A 102 30.770 2.271 -7.450 1.00 1.30 C ATOM 1614 O ASP A 102 30.295 1.295 -8.030 1.00 54.02 O ATOM 1615 CB ASP A 102 32.466 3.690 -8.621 1.00 61.44 C ATOM 1616 CG ASP A 102 33.416 3.739 -7.441 1.00 12.52 C ATOM 1617 OD1 ASP A 102 33.435 4.771 -6.737 1.00 52.54 O ATOM 1618 OD2 ASP A 102 34.139 2.746 -7.220 1.00 5.33 O ATOM 0 H ASP A 102 31.429 5.195 -6.916 1.00 4.31 H new ATOM 0 HA ASP A 102 30.370 3.599 -9.077 1.00 15.13 H new ATOM 0 HB2 ASP A 102 32.718 2.837 -9.251 1.00 61.44 H new ATOM 0 HB3 ASP A 102 32.599 4.585 -9.228 1.00 61.44 H new ATOM 1623 N LYS A 103 31.110 2.253 -6.165 1.00 55.45 N ATOM 1624 CA LYS A 103 30.938 1.060 -5.345 1.00 2.52 C ATOM 1625 C LYS A 103 29.474 0.870 -4.961 1.00 24.30 C ATOM 1626 O LYS A 103 29.061 -0.224 -4.572 1.00 4.42 O ATOM 1627 CB LYS A 103 31.799 1.156 -4.083 1.00 40.42 C ATOM 1628 CG LYS A 103 32.214 -0.194 -3.526 1.00 34.34 C ATOM 1629 CD LYS A 103 33.022 -0.046 -2.247 1.00 53.34 C ATOM 1630 CE LYS A 103 34.009 -1.190 -2.076 1.00 0.10 C ATOM 1631 NZ LYS A 103 35.349 -0.706 -1.643 1.00 43.14 N ATOM 0 H LYS A 103 31.506 3.052 -5.669 1.00 55.45 H new ATOM 0 HA LYS A 103 31.256 0.198 -5.931 1.00 2.52 H new ATOM 0 HB2 LYS A 103 32.693 1.738 -4.307 1.00 40.42 H new ATOM 0 HB3 LYS A 103 31.247 1.701 -3.317 1.00 40.42 H new ATOM 0 HG2 LYS A 103 31.327 -0.796 -3.329 1.00 34.34 H new ATOM 0 HG3 LYS A 103 32.804 -0.730 -4.270 1.00 34.34 H new ATOM 0 HD2 LYS A 103 33.561 0.901 -2.263 1.00 53.34 H new ATOM 0 HD3 LYS A 103 32.348 -0.015 -1.391 1.00 53.34 H new ATOM 0 HE2 LYS A 103 33.623 -1.896 -1.341 1.00 0.10 H new ATOM 0 HE3 LYS A 103 34.105 -1.731 -3.018 1.00 0.10 H new ATOM 0 HZ1 LYS A 103 35.993 -1.516 -1.538 1.00 43.14 H new ATOM 0 HZ2 LYS A 103 35.729 -0.052 -2.357 1.00 43.14 H new ATOM 0 HZ3 LYS A 103 35.262 -0.212 -0.732 1.00 43.14 H new ATOM 1645 N LEU A 104 28.694 1.939 -5.074 1.00 72.41 N ATOM 1646 CA LEU A 104 27.275 1.888 -4.740 1.00 54.42 C ATOM 1647 C LEU A 104 26.558 0.825 -5.566 1.00 23.41 C ATOM 1648 O LEU A 104 25.510 0.317 -5.167 1.00 61.31 O ATOM 1649 CB LEU A 104 26.627 3.254 -4.975 1.00 13.13 C ATOM 1650 CG LEU A 104 25.143 3.363 -4.620 1.00 4.23 C ATOM 1651 CD1 LEU A 104 24.964 4.079 -3.290 1.00 51.53 C ATOM 1652 CD2 LEU A 104 24.383 4.084 -5.723 1.00 54.10 C ATOM 0 H LEU A 104 29.020 2.851 -5.394 1.00 72.41 H new ATOM 0 HA LEU A 104 27.185 1.625 -3.686 1.00 54.42 H new ATOM 0 HB2 LEU A 104 27.174 3.998 -4.396 1.00 13.13 H new ATOM 0 HB3 LEU A 104 26.749 3.516 -6.026 1.00 13.13 H new ATOM 0 HG LEU A 104 24.736 2.356 -4.525 1.00 4.23 H new ATOM 0 HD11 LEU A 104 23.902 4.147 -3.054 1.00 51.53 H new ATOM 0 HD12 LEU A 104 25.475 3.522 -2.505 1.00 51.53 H new ATOM 0 HD13 LEU A 104 25.386 5.082 -3.357 1.00 51.53 H new ATOM 0 HD21 LEU A 104 23.329 4.153 -5.454 1.00 54.10 H new ATOM 0 HD22 LEU A 104 24.791 5.087 -5.850 1.00 54.10 H new ATOM 0 HD23 LEU A 104 24.484 3.530 -6.656 1.00 54.10 H new ATOM 1664 N ARG A 105 27.132 0.491 -6.717 1.00 61.32 N ATOM 1665 CA ARG A 105 26.549 -0.514 -7.599 1.00 10.45 C ATOM 1666 C ARG A 105 26.744 -1.916 -7.029 1.00 44.23 C ATOM 1667 O ARG A 105 25.918 -2.802 -7.241 1.00 34.21 O ATOM 1668 CB ARG A 105 27.175 -0.425 -8.992 1.00 34.43 C ATOM 1669 CG ARG A 105 27.145 0.974 -9.585 1.00 60.52 C ATOM 1670 CD ARG A 105 28.072 1.089 -10.785 1.00 54.25 C ATOM 1671 NE ARG A 105 28.282 2.479 -11.183 1.00 20.24 N ATOM 1672 CZ ARG A 105 29.091 2.847 -12.170 1.00 25.55 C ATOM 1673 NH1 ARG A 105 29.763 1.932 -12.856 1.00 53.43 N ATOM 1674 NH2 ARG A 105 29.230 4.131 -12.472 1.00 4.14 N ATOM 0 H ARG A 105 28.000 0.901 -7.061 1.00 61.32 H new ATOM 0 HA ARG A 105 25.480 -0.318 -7.676 1.00 10.45 H new ATOM 0 HB2 ARG A 105 28.209 -0.766 -8.939 1.00 34.43 H new ATOM 0 HB3 ARG A 105 26.649 -1.106 -9.662 1.00 34.43 H new ATOM 0 HG2 ARG A 105 26.127 1.222 -9.885 1.00 60.52 H new ATOM 0 HG3 ARG A 105 27.439 1.699 -8.826 1.00 60.52 H new ATOM 0 HD2 ARG A 105 29.032 0.631 -10.547 1.00 54.25 H new ATOM 0 HD3 ARG A 105 27.652 0.532 -11.622 1.00 54.25 H new ATOM 0 HE ARG A 105 27.780 3.207 -10.675 1.00 20.24 H new ATOM 0 HH11 ARG A 105 29.659 0.944 -12.626 1.00 53.43 H new ATOM 0 HH12 ARG A 105 30.384 2.217 -13.614 1.00 53.43 H new ATOM 0 HH21 ARG A 105 28.715 4.837 -11.946 1.00 4.14 H new ATOM 0 HH22 ARG A 105 29.852 4.412 -13.230 1.00 4.14 H new ATOM 1688 N GLU A 106 27.844 -2.108 -6.307 1.00 12.10 N ATOM 1689 CA GLU A 106 28.148 -3.403 -5.709 1.00 53.40 C ATOM 1690 C GLU A 106 27.642 -3.470 -4.271 1.00 1.32 C ATOM 1691 O GLU A 106 27.418 -4.553 -3.728 1.00 44.54 O ATOM 1692 CB GLU A 106 29.655 -3.664 -5.744 1.00 72.52 C ATOM 1693 CG GLU A 106 30.459 -2.708 -4.880 1.00 41.22 C ATOM 1694 CD GLU A 106 31.851 -3.227 -4.574 1.00 75.24 C ATOM 1695 OE1 GLU A 106 32.773 -2.956 -5.372 1.00 32.21 O ATOM 1696 OE2 GLU A 106 32.017 -3.904 -3.539 1.00 23.33 O ATOM 0 H GLU A 106 28.539 -1.384 -6.122 1.00 12.10 H new ATOM 0 HA GLU A 106 27.640 -4.172 -6.291 1.00 53.40 H new ATOM 0 HB2 GLU A 106 29.846 -4.685 -5.415 1.00 72.52 H new ATOM 0 HB3 GLU A 106 30.004 -3.590 -6.774 1.00 72.52 H new ATOM 0 HG2 GLU A 106 30.537 -1.746 -5.386 1.00 41.22 H new ATOM 0 HG3 GLU A 106 29.927 -2.534 -3.945 1.00 41.22 H new ATOM 1703 N THR A 107 27.464 -2.304 -3.657 1.00 43.21 N ATOM 1704 CA THR A 107 26.987 -2.229 -2.282 1.00 3.20 C ATOM 1705 C THR A 107 25.472 -2.377 -2.217 1.00 55.40 C ATOM 1706 O THR A 107 24.931 -2.924 -1.255 1.00 25.40 O ATOM 1707 CB THR A 107 27.391 -0.898 -1.619 1.00 71.21 C ATOM 1708 OG1 THR A 107 28.709 -0.524 -2.035 1.00 0.21 O ATOM 1709 CG2 THR A 107 27.345 -1.013 -0.103 1.00 25.30 C ATOM 0 H THR A 107 27.643 -1.398 -4.091 1.00 43.21 H new ATOM 0 HA THR A 107 27.453 -3.052 -1.740 1.00 3.20 H new ATOM 0 HB THR A 107 26.681 -0.132 -1.931 1.00 71.21 H new ATOM 0 HG1 THR A 107 28.682 -0.208 -2.962 1.00 0.21 H new ATOM 0 HG21 THR A 107 27.634 -0.061 0.343 1.00 25.30 H new ATOM 0 HG22 THR A 107 26.333 -1.269 0.212 1.00 25.30 H new ATOM 0 HG23 THR A 107 28.035 -1.791 0.224 1.00 25.30 H new ATOM 1717 N LEU A 108 24.789 -1.886 -3.246 1.00 4.21 N ATOM 1718 CA LEU A 108 23.334 -1.964 -3.306 1.00 71.01 C ATOM 1719 C LEU A 108 22.884 -3.306 -3.873 1.00 72.54 C ATOM 1720 O LEU A 108 21.766 -3.756 -3.618 1.00 65.15 O ATOM 1721 CB LEU A 108 22.777 -0.824 -4.161 1.00 2.14 C ATOM 1722 CG LEU A 108 22.498 -1.158 -5.626 1.00 73.32 C ATOM 1723 CD1 LEU A 108 21.083 -1.692 -5.792 1.00 25.44 C ATOM 1724 CD2 LEU A 108 22.713 0.067 -6.503 1.00 61.41 C ATOM 0 H LEU A 108 25.220 -1.430 -4.050 1.00 4.21 H new ATOM 0 HA LEU A 108 22.948 -1.871 -2.291 1.00 71.01 H new ATOM 0 HB2 LEU A 108 21.850 -0.475 -3.706 1.00 2.14 H new ATOM 0 HB3 LEU A 108 23.482 0.007 -4.127 1.00 2.14 H new ATOM 0 HG LEU A 108 23.197 -1.933 -5.941 1.00 73.32 H new ATOM 0 HD11 LEU A 108 20.903 -1.924 -6.842 1.00 25.44 H new ATOM 0 HD12 LEU A 108 20.963 -2.596 -5.194 1.00 25.44 H new ATOM 0 HD13 LEU A 108 20.369 -0.939 -5.459 1.00 25.44 H new ATOM 0 HD21 LEU A 108 22.510 -0.190 -7.543 1.00 61.41 H new ATOM 0 HD22 LEU A 108 22.039 0.863 -6.187 1.00 61.41 H new ATOM 0 HD23 LEU A 108 23.745 0.406 -6.408 1.00 61.41 H new ATOM 1736 N ASP A 109 23.761 -3.942 -4.642 1.00 25.34 N ATOM 1737 CA ASP A 109 23.456 -5.235 -5.242 1.00 71.55 C ATOM 1738 C ASP A 109 23.511 -6.346 -4.198 1.00 61.45 C ATOM 1739 O ASP A 109 22.584 -7.148 -4.082 1.00 45.42 O ATOM 1740 CB ASP A 109 24.434 -5.538 -6.379 1.00 10.41 C ATOM 1741 CG ASP A 109 24.637 -7.025 -6.587 1.00 65.45 C ATOM 1742 OD1 ASP A 109 23.917 -7.612 -7.422 1.00 51.13 O ATOM 1743 OD2 ASP A 109 25.518 -7.603 -5.916 1.00 72.15 O ATOM 0 H ASP A 109 24.689 -3.583 -4.864 1.00 25.34 H new ATOM 0 HA ASP A 109 22.444 -5.190 -5.646 1.00 71.55 H new ATOM 0 HB2 ASP A 109 24.063 -5.092 -7.302 1.00 10.41 H new ATOM 0 HB3 ASP A 109 25.394 -5.070 -6.163 1.00 10.41 H new ATOM 1748 N GLU A 110 24.604 -6.388 -3.443 1.00 11.34 N ATOM 1749 CA GLU A 110 24.780 -7.402 -2.410 1.00 33.01 C ATOM 1750 C GLU A 110 23.600 -7.403 -1.442 1.00 71.41 C ATOM 1751 O GLU A 110 23.319 -8.409 -0.789 1.00 71.31 O ATOM 1752 CB GLU A 110 26.082 -7.161 -1.643 1.00 51.15 C ATOM 1753 CG GLU A 110 27.319 -7.180 -2.525 1.00 4.11 C ATOM 1754 CD GLU A 110 27.938 -8.560 -2.632 1.00 70.24 C ATOM 1755 OE1 GLU A 110 28.516 -9.030 -1.630 1.00 35.52 O ATOM 1756 OE2 GLU A 110 27.845 -9.170 -3.718 1.00 50.21 O ATOM 0 H GLU A 110 25.381 -5.732 -3.527 1.00 11.34 H new ATOM 0 HA GLU A 110 24.829 -8.376 -2.898 1.00 33.01 H new ATOM 0 HB2 GLU A 110 26.022 -6.198 -1.136 1.00 51.15 H new ATOM 0 HB3 GLU A 110 26.185 -7.923 -0.870 1.00 51.15 H new ATOM 0 HG2 GLU A 110 27.056 -6.826 -3.522 1.00 4.11 H new ATOM 0 HG3 GLU A 110 28.057 -6.485 -2.124 1.00 4.11 H new ATOM 1763 N LEU A 111 22.913 -6.270 -1.355 1.00 0.34 N ATOM 1764 CA LEU A 111 21.763 -6.138 -0.466 1.00 62.34 C ATOM 1765 C LEU A 111 20.461 -6.388 -1.221 1.00 1.52 C ATOM 1766 O LEU A 111 19.608 -7.155 -0.772 1.00 42.42 O ATOM 1767 CB LEU A 111 21.740 -4.747 0.168 1.00 42.52 C ATOM 1768 CG LEU A 111 20.398 -4.294 0.744 1.00 3.24 C ATOM 1769 CD1 LEU A 111 20.611 -3.449 1.991 1.00 53.22 C ATOM 1770 CD2 LEU A 111 19.604 -3.520 -0.298 1.00 33.23 C ATOM 0 H LEU A 111 23.132 -5.429 -1.889 1.00 0.34 H new ATOM 0 HA LEU A 111 21.855 -6.887 0.321 1.00 62.34 H new ATOM 0 HB2 LEU A 111 22.482 -4.721 0.966 1.00 42.52 H new ATOM 0 HB3 LEU A 111 22.054 -4.022 -0.583 1.00 42.52 H new ATOM 0 HG LEU A 111 19.826 -5.179 1.023 1.00 3.24 H new ATOM 0 HD11 LEU A 111 19.645 -3.135 2.387 1.00 53.22 H new ATOM 0 HD12 LEU A 111 21.138 -4.036 2.743 1.00 53.22 H new ATOM 0 HD13 LEU A 111 21.202 -2.569 1.738 1.00 53.22 H new ATOM 0 HD21 LEU A 111 18.652 -3.206 0.130 1.00 33.23 H new ATOM 0 HD22 LEU A 111 20.170 -2.642 -0.608 1.00 33.23 H new ATOM 0 HD23 LEU A 111 19.420 -4.157 -1.163 1.00 33.23 H new ATOM 1782 N LEU A 112 20.315 -5.737 -2.370 1.00 3.44 N ATOM 1783 CA LEU A 112 19.118 -5.889 -3.189 1.00 33.04 C ATOM 1784 C LEU A 112 18.948 -7.336 -3.641 1.00 41.22 C ATOM 1785 O LEU A 112 17.849 -7.760 -3.998 1.00 24.12 O ATOM 1786 CB LEU A 112 19.188 -4.967 -4.407 1.00 3.42 C ATOM 1787 CG LEU A 112 17.878 -4.757 -5.167 1.00 0.55 C ATOM 1788 CD1 LEU A 112 16.794 -4.247 -4.230 1.00 33.22 C ATOM 1789 CD2 LEU A 112 18.082 -3.791 -6.325 1.00 11.44 C ATOM 0 H LEU A 112 21.011 -5.099 -2.755 1.00 3.44 H new ATOM 0 HA LEU A 112 18.255 -5.613 -2.582 1.00 33.04 H new ATOM 0 HB2 LEU A 112 19.555 -3.994 -4.080 1.00 3.42 H new ATOM 0 HB3 LEU A 112 19.926 -5.370 -5.100 1.00 3.42 H new ATOM 0 HG LEU A 112 17.558 -5.717 -5.573 1.00 0.55 H new ATOM 0 HD11 LEU A 112 15.869 -4.103 -4.788 1.00 33.22 H new ATOM 0 HD12 LEU A 112 16.629 -4.974 -3.435 1.00 33.22 H new ATOM 0 HD13 LEU A 112 17.106 -3.298 -3.795 1.00 33.22 H new ATOM 0 HD21 LEU A 112 17.139 -3.654 -6.855 1.00 11.44 H new ATOM 0 HD22 LEU A 112 18.426 -2.831 -5.941 1.00 11.44 H new ATOM 0 HD23 LEU A 112 18.827 -4.196 -7.010 1.00 11.44 H new ATOM 1801 N ALA A 113 20.043 -8.089 -3.622 1.00 0.32 N ATOM 1802 CA ALA A 113 20.015 -9.489 -4.026 1.00 14.11 C ATOM 1803 C ALA A 113 18.927 -10.254 -3.279 1.00 51.34 C ATOM 1804 O ALA A 113 18.352 -11.207 -3.806 1.00 5.12 O ATOM 1805 CB ALA A 113 21.372 -10.134 -3.790 1.00 44.25 C ATOM 0 H ALA A 113 20.961 -7.752 -3.331 1.00 0.32 H new ATOM 0 HA ALA A 113 19.786 -9.529 -5.091 1.00 14.11 H new ATOM 0 HB1 ALA A 113 21.336 -11.179 -4.096 1.00 44.25 H new ATOM 0 HB2 ALA A 113 22.130 -9.611 -4.373 1.00 44.25 H new ATOM 0 HB3 ALA A 113 21.624 -10.075 -2.731 1.00 44.25 H new ATOM 1811 N ARG A 114 18.650 -9.830 -2.050 1.00 74.45 N ATOM 1812 CA ARG A 114 17.632 -10.477 -1.231 1.00 71.21 C ATOM 1813 C ARG A 114 16.296 -10.534 -1.967 1.00 44.30 C ATOM 1814 O ARG A 114 15.604 -11.552 -1.941 1.00 54.22 O ATOM 1815 CB ARG A 114 17.465 -9.732 0.095 1.00 72.34 C ATOM 1816 CG ARG A 114 16.606 -10.474 1.106 1.00 24.11 C ATOM 1817 CD ARG A 114 15.617 -9.542 1.788 1.00 41.35 C ATOM 1818 NE ARG A 114 15.556 -9.768 3.229 1.00 14.10 N ATOM 1819 CZ ARG A 114 14.548 -9.362 3.994 1.00 23.42 C ATOM 1820 NH1 ARG A 114 13.524 -8.714 3.458 1.00 14.12 N ATOM 1821 NH2 ARG A 114 14.564 -9.606 5.298 1.00 5.15 N ATOM 0 H ARG A 114 19.116 -9.042 -1.600 1.00 74.45 H new ATOM 0 HA ARG A 114 17.959 -11.497 -1.029 1.00 71.21 H new ATOM 0 HB2 ARG A 114 18.449 -9.554 0.528 1.00 72.34 H new ATOM 0 HB3 ARG A 114 17.021 -8.756 -0.100 1.00 72.34 H new ATOM 0 HG2 ARG A 114 16.065 -11.277 0.605 1.00 24.11 H new ATOM 0 HG3 ARG A 114 17.245 -10.940 1.856 1.00 24.11 H new ATOM 0 HD2 ARG A 114 15.902 -8.508 1.595 1.00 41.35 H new ATOM 0 HD3 ARG A 114 14.627 -9.686 1.356 1.00 41.35 H new ATOM 0 HE ARG A 114 16.329 -10.264 3.673 1.00 14.10 H new ATOM 0 HH11 ARG A 114 13.508 -8.526 2.456 1.00 14.12 H new ATOM 0 HH12 ARG A 114 12.752 -8.404 4.048 1.00 14.12 H new ATOM 0 HH21 ARG A 114 15.350 -10.105 5.714 1.00 5.15 H new ATOM 0 HH22 ARG A 114 13.790 -9.294 5.885 1.00 5.15 H new ATOM 1835 N LEU A 115 15.941 -9.434 -2.622 1.00 12.13 N ATOM 1836 CA LEU A 115 14.688 -9.357 -3.365 1.00 32.31 C ATOM 1837 C LEU A 115 14.839 -9.974 -4.752 1.00 11.40 C ATOM 1838 O LEU A 115 14.096 -10.883 -5.121 1.00 44.43 O ATOM 1839 CB LEU A 115 14.233 -7.902 -3.488 1.00 0.02 C ATOM 1840 CG LEU A 115 12.722 -7.671 -3.520 1.00 73.50 C ATOM 1841 CD1 LEU A 115 12.079 -8.501 -4.621 1.00 13.42 C ATOM 1842 CD2 LEU A 115 12.103 -8.002 -2.170 1.00 31.42 C ATOM 0 H LEU A 115 16.503 -8.583 -2.654 1.00 12.13 H new ATOM 0 HA LEU A 115 13.934 -9.921 -2.817 1.00 32.31 H new ATOM 0 HB2 LEU A 115 14.648 -7.341 -2.651 1.00 0.02 H new ATOM 0 HB3 LEU A 115 14.664 -7.483 -4.398 1.00 0.02 H new ATOM 0 HG LEU A 115 12.539 -6.618 -3.733 1.00 73.50 H new ATOM 0 HD11 LEU A 115 11.003 -8.324 -4.629 1.00 13.42 H new ATOM 0 HD12 LEU A 115 12.501 -8.216 -5.585 1.00 13.42 H new ATOM 0 HD13 LEU A 115 12.271 -9.558 -4.439 1.00 13.42 H new ATOM 0 HD21 LEU A 115 11.027 -7.832 -2.211 1.00 31.42 H new ATOM 0 HD22 LEU A 115 12.296 -9.047 -1.928 1.00 31.42 H new ATOM 0 HD23 LEU A 115 12.542 -7.365 -1.402 1.00 31.42 H new ATOM 1854 N GLU A 116 15.806 -9.473 -5.514 1.00 65.41 N ATOM 1855 CA GLU A 116 16.055 -9.977 -6.860 1.00 2.31 C ATOM 1856 C GLU A 116 16.994 -11.179 -6.826 1.00 61.22 C ATOM 1857 O GLU A 116 17.139 -11.894 -7.817 1.00 53.24 O ATOM 1858 CB GLU A 116 16.651 -8.875 -7.738 1.00 43.23 C ATOM 1859 CG GLU A 116 15.615 -8.115 -8.549 1.00 72.44 C ATOM 1860 CD GLU A 116 15.016 -8.954 -9.662 1.00 10.20 C ATOM 1861 OE1 GLU A 116 14.141 -8.437 -10.388 1.00 34.22 O ATOM 1862 OE2 GLU A 116 15.422 -10.126 -9.807 1.00 11.32 O ATOM 0 H GLU A 116 16.429 -8.720 -5.223 1.00 65.41 H new ATOM 0 HA GLU A 116 15.102 -10.294 -7.284 1.00 2.31 H new ATOM 0 HB2 GLU A 116 17.192 -8.171 -7.106 1.00 43.23 H new ATOM 0 HB3 GLU A 116 17.379 -9.318 -8.418 1.00 43.23 H new ATOM 0 HG2 GLU A 116 14.819 -7.774 -7.887 1.00 72.44 H new ATOM 0 HG3 GLU A 116 16.076 -7.225 -8.978 1.00 72.44 H new TER 1869 GLU A 116