USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 972 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 97 TYR OH : rot -167:sc= 1.2 USER MOD Set 1.2: A 99 GLN : amide:sc= 2.05 K(o=3.3,f=1.9) USER MOD Set 1.3: A 101 SER OG : rot 180:sc= 0 USER MOD Set 1.4: A 112 SER OG : rot -122:sc= 0.0621 USER MOD Set 2.1: A 93 ASN : amide:sc= 0.992 K(o=2,f=-2.8) USER MOD Set 2.2: A 98 HIS : no HE2:sc= 0.99 K(o=2,f=-7.5!) USER MOD Set 2.3: A 100 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 18 MET CE :methyl 158:sc= -0.0132 (180deg=-0.224) USER MOD Set 3.2: A 51 GLN : amide:sc= -0.901 K(o=-1,f=-5.4!) USER MOD Set 3.3: A 59 MET CE :methyl -164:sc= -0.0298 (180deg=0) USER MOD Set 3.4: A 74 MET CE :methyl -144:sc= -0.0564 (180deg=-0.294) USER MOD Set 4.1: A 69 SER OG : rot -40:sc= 1.8 USER MOD Set 4.2: A 80 LYS NZ :NH3+ 142:sc= 0.98 (180deg=0) USER MOD Set 5.1: A 64 THR OG1 : rot -84:sc= 2.14 USER MOD Set 5.2: A 67 LYS NZ :NH3+ -116:sc= 1.16 (180deg=0) USER MOD Set 6.1: A 60 THR OG1 : rot -100:sc= 1 USER MOD Set 6.2: A 62 LYS NZ :NH3+ 171:sc= 1.19 (180deg=0) USER MOD Set 7.1: A 53 TYR OH : rot 154:sc= -7.54! USER MOD Set 7.2: A 57 HIS : no HD1:sc= -3.41! C(o=-11!,f=-20!) USER MOD Set 8.1: A 52 HIS : no HE2:sc= 1.24 K(o=2.5,f=-7.3!) USER MOD Set 8.2: A 58 THR OG1 : rot -98:sc= 1.26 USER MOD Set 9.1: A 1 ALA N :NH3+ 146:sc= 0.595 (180deg=0) USER MOD Set 9.2: A 42 GLN : amide:sc= 0.126 K(o=0.72,f=-8.3!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0774 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 MET CE :methyl 162:sc= -0.499 (180deg=-1.13) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0.316 K(o=0.32,f=-0.61) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 157:sc= 0.887 (180deg=-0.531!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -176:sc= 2.43 (180deg=2.38) USER MOD Single : A 33 ASN : amide:sc= 0.0316 X(o=0.032,f=0) USER MOD Single : A 35 LYS NZ :NH3+ -132:sc= -0.68! (180deg=-1.16) USER MOD Single : A 38 THR OG1 : rot 18:sc= 1.25 USER MOD Single : A 41 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.11) USER MOD Single : A 45 GLN : amide:sc= 0.163 X(o=0.16,f=-0.032) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0563 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 1.04 K(o=1,f=0.43) USER MOD Single : A 70 ASN : amide:sc= 0.446 X(o=0.45,f=0) USER MOD Single : A 72 GLN : amide:sc= 1.07 K(o=1.1,f=-2.8!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.543 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.00124 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0.576 K(o=0.58,f=-0.006) USER MOD Single : A 85 MET CE :methyl 157:sc= -0.149 (180deg=-0.776) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 ASN : amide:sc= -0.0521 K(o=-0.052,f=-1.3!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 24:sc= 1.01 USER MOD Single : A 124 LYS NZ :NH3+ 165:sc= 1.12 (180deg=0.44) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -24.368 11.055 13.175 1.00 0.66 N ATOM 2 CA ALA A 1 -23.880 11.682 14.415 1.00 0.48 C ATOM 3 C ALA A 1 -23.438 13.104 14.086 1.00 0.53 C ATOM 4 O ALA A 1 -22.339 13.269 13.580 1.00 1.01 O ATOM 5 CB ALA A 1 -22.754 10.850 15.044 1.00 0.50 C ATOM 0 H1 ALA A 1 -24.137 10.041 13.184 1.00 0.66 H new ATOM 0 H2 ALA A 1 -25.399 11.174 13.108 1.00 0.66 H new ATOM 0 H3 ALA A 1 -23.913 11.506 12.356 1.00 0.66 H new ATOM 0 HA ALA A 1 -24.675 11.723 15.159 1.00 0.48 H new ATOM 0 HB1 ALA A 1 -22.411 11.334 15.958 1.00 0.50 H new ATOM 0 HB2 ALA A 1 -23.126 9.853 15.279 1.00 0.50 H new ATOM 0 HB3 ALA A 1 -21.924 10.771 14.342 1.00 0.50 H new ATOM 13 N PHE A 2 -24.401 14.012 14.166 1.00 0.29 N ATOM 14 CA PHE A 2 -24.236 15.431 13.877 1.00 0.26 C ATOM 15 C PHE A 2 -23.764 16.334 15.003 1.00 0.27 C ATOM 16 O PHE A 2 -23.806 17.557 14.915 1.00 0.36 O ATOM 17 CB PHE A 2 -25.519 15.935 13.262 1.00 0.00 C ATOM 18 CG PHE A 2 -25.674 15.451 11.860 1.00 0.00 C ATOM 19 CD1 PHE A 2 -24.902 16.062 10.863 1.00 0.00 C ATOM 20 CD2 PHE A 2 -26.676 14.521 11.542 1.00 0.00 C ATOM 21 CE1 PHE A 2 -25.157 15.764 9.526 1.00 0.00 C ATOM 22 CE2 PHE A 2 -26.932 14.242 10.194 1.00 0.00 C ATOM 23 CZ PHE A 2 -26.180 14.872 9.189 1.00 0.00 C ATOM 0 H PHE A 2 -25.353 13.773 14.444 1.00 0.29 H new ATOM 0 HA PHE A 2 -23.393 15.489 13.189 1.00 0.26 H new ATOM 0 HB2 PHE A 2 -26.367 15.602 13.860 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -25.528 17.025 13.276 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -24.118 16.756 11.128 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -27.239 14.030 12.322 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -24.564 16.223 8.749 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -27.709 13.541 9.927 1.00 0.00 H new ATOM 0 HZ PHE A 2 -26.393 14.667 8.150 1.00 0.00 H new ATOM 33 N THR A 3 -23.548 15.713 16.147 1.00 0.23 N ATOM 34 CA THR A 3 -23.262 16.410 17.434 1.00 0.22 C ATOM 35 C THR A 3 -22.154 17.487 17.400 1.00 0.23 C ATOM 36 O THR A 3 -21.090 17.233 16.839 1.00 0.27 O ATOM 37 CB THR A 3 -22.937 15.342 18.502 1.00 0.26 C ATOM 38 OG1 THR A 3 -23.913 14.318 18.458 1.00 0.27 O ATOM 39 CG2 THR A 3 -22.827 15.835 19.941 1.00 0.27 C ATOM 0 H THR A 3 -23.562 14.697 16.234 1.00 0.23 H new ATOM 0 HA THR A 3 -24.163 16.976 17.671 1.00 0.22 H new ATOM 0 HB THR A 3 -21.940 14.991 18.236 1.00 0.26 H new ATOM 0 HG1 THR A 3 -23.706 13.640 19.134 1.00 0.27 H new ATOM 0 HG21 THR A 3 -22.596 14.995 20.597 1.00 0.27 H new ATOM 0 HG22 THR A 3 -22.033 16.579 20.011 1.00 0.27 H new ATOM 0 HG23 THR A 3 -23.773 16.284 20.245 1.00 0.27 H new ATOM 47 N GLY A 4 -22.305 18.616 18.127 1.00 0.22 N ATOM 48 CA GLY A 4 -21.220 19.572 18.276 1.00 0.25 C ATOM 49 C GLY A 4 -21.660 20.944 18.495 1.00 0.26 C ATOM 50 O GLY A 4 -22.853 21.070 18.695 1.00 0.46 O ATOM 0 H GLY A 4 -23.165 18.873 18.611 1.00 0.22 H new ATOM 0 HA2 GLY A 4 -20.593 19.265 19.113 1.00 0.25 H new ATOM 0 HA3 GLY A 4 -20.597 19.540 17.382 1.00 0.25 H new ATOM 54 N LYS A 5 -20.776 21.957 18.434 1.00 0.24 N ATOM 55 CA LYS A 5 -21.092 23.407 18.467 1.00 0.23 C ATOM 56 C LYS A 5 -20.679 24.002 17.113 1.00 0.20 C ATOM 57 O LYS A 5 -19.524 23.809 16.721 1.00 0.22 O ATOM 58 CB LYS A 5 -20.324 24.089 19.635 1.00 0.30 C ATOM 59 CG LYS A 5 -21.095 25.117 20.496 1.00 0.36 C ATOM 60 CD LYS A 5 -21.764 26.324 19.810 1.00 0.38 C ATOM 61 CE LYS A 5 -20.894 27.401 19.158 1.00 0.41 C ATOM 62 NZ LYS A 5 -20.093 28.184 20.134 1.00 0.73 N ATOM 0 H LYS A 5 -19.774 21.784 18.357 1.00 0.24 H new ATOM 0 HA LYS A 5 -22.156 23.572 18.634 1.00 0.23 H new ATOM 0 HB2 LYS A 5 -19.955 23.306 20.297 1.00 0.30 H new ATOM 0 HB3 LYS A 5 -19.451 24.589 19.216 1.00 0.30 H new ATOM 0 HG2 LYS A 5 -21.871 24.575 21.036 1.00 0.36 H new ATOM 0 HG3 LYS A 5 -20.401 25.507 21.241 1.00 0.36 H new ATOM 0 HD2 LYS A 5 -22.431 25.934 19.041 1.00 0.38 H new ATOM 0 HD3 LYS A 5 -22.390 26.817 20.554 1.00 0.38 H new ATOM 0 HE2 LYS A 5 -20.221 26.929 18.442 1.00 0.41 H new ATOM 0 HE3 LYS A 5 -21.533 28.081 18.595 1.00 0.41 H new ATOM 0 HZ1 LYS A 5 -19.527 28.895 19.628 1.00 0.73 H new ATOM 0 HZ2 LYS A 5 -20.731 28.661 20.803 1.00 0.73 H new ATOM 0 HZ3 LYS A 5 -19.459 27.545 20.655 1.00 0.73 H new ATOM 76 N PHE A 6 -21.572 24.740 16.478 1.00 0.22 N ATOM 77 CA PHE A 6 -21.396 25.168 15.094 1.00 0.25 C ATOM 78 C PHE A 6 -21.801 26.637 15.024 1.00 0.23 C ATOM 79 O PHE A 6 -22.751 27.042 15.707 1.00 0.27 O ATOM 80 CB PHE A 6 -22.285 24.291 14.202 1.00 0.43 C ATOM 81 CG PHE A 6 -22.147 22.803 14.440 1.00 0.28 C ATOM 82 CD1 PHE A 6 -21.057 22.135 13.876 1.00 0.30 C ATOM 83 CD2 PHE A 6 -23.059 22.086 15.231 1.00 0.24 C ATOM 84 CE1 PHE A 6 -20.857 20.763 14.115 1.00 0.23 C ATOM 85 CE2 PHE A 6 -22.889 20.707 15.427 1.00 0.26 C ATOM 86 CZ PHE A 6 -21.787 20.045 14.872 1.00 0.24 C ATOM 0 H PHE A 6 -22.441 25.062 16.904 1.00 0.22 H new ATOM 0 HA PHE A 6 -20.367 25.063 14.751 1.00 0.25 H new ATOM 0 HB2 PHE A 6 -23.326 24.575 14.358 1.00 0.43 H new ATOM 0 HB3 PHE A 6 -22.050 24.502 13.159 1.00 0.43 H new ATOM 0 HD1 PHE A 6 -20.362 22.676 13.251 1.00 0.30 H new ATOM 0 HD2 PHE A 6 -23.893 22.597 15.689 1.00 0.24 H new ATOM 0 HE1 PHE A 6 -19.986 20.265 13.714 1.00 0.23 H new ATOM 0 HE2 PHE A 6 -23.611 20.154 16.009 1.00 0.26 H new ATOM 0 HZ PHE A 6 -21.656 18.984 15.028 1.00 0.24 H new ATOM 96 N GLU A 7 -21.032 27.465 14.310 1.00 0.25 N ATOM 97 CA GLU A 7 -21.425 28.854 14.081 1.00 0.32 C ATOM 98 C GLU A 7 -21.910 29.098 12.682 1.00 0.32 C ATOM 99 O GLU A 7 -21.304 28.588 11.744 1.00 0.37 O ATOM 100 CB GLU A 7 -20.276 29.909 14.288 1.00 0.44 C ATOM 101 CG GLU A 7 -19.839 30.010 15.734 1.00 1.10 C ATOM 102 CD GLU A 7 -18.641 30.883 16.029 1.00 1.18 C ATOM 103 OE1 GLU A 7 -17.550 30.613 15.468 1.00 1.98 O ATOM 104 OE2 GLU A 7 -18.791 31.865 16.768 1.00 1.10 O ATOM 0 H GLU A 7 -20.143 27.199 13.886 1.00 0.25 H new ATOM 0 HA GLU A 7 -22.208 28.990 14.827 1.00 0.32 H new ATOM 0 HB2 GLU A 7 -19.420 29.636 13.671 1.00 0.44 H new ATOM 0 HB3 GLU A 7 -20.617 30.886 13.945 1.00 0.44 H new ATOM 0 HG2 GLU A 7 -20.681 30.382 16.317 1.00 1.10 H new ATOM 0 HG3 GLU A 7 -19.622 29.004 16.093 1.00 1.10 H new ATOM 111 N MET A 8 -23.031 29.776 12.379 1.00 0.37 N ATOM 112 CA MET A 8 -23.404 30.039 11.004 1.00 0.35 C ATOM 113 C MET A 8 -22.828 31.348 10.478 1.00 0.42 C ATOM 114 O MET A 8 -22.553 32.298 11.201 1.00 0.67 O ATOM 115 CB MET A 8 -24.974 30.112 10.983 1.00 0.39 C ATOM 116 CG MET A 8 -25.601 30.240 9.650 1.00 0.51 C ATOM 117 SD MET A 8 -27.410 30.284 9.577 1.00 0.97 S ATOM 118 CE MET A 8 -27.631 31.868 10.442 1.00 0.35 C ATOM 0 H MET A 8 -23.682 30.144 13.073 1.00 0.37 H new ATOM 0 HA MET A 8 -23.009 29.252 10.362 1.00 0.35 H new ATOM 0 HB2 MET A 8 -25.366 29.215 11.462 1.00 0.39 H new ATOM 0 HB3 MET A 8 -25.286 30.960 11.592 1.00 0.39 H new ATOM 0 HG2 MET A 8 -25.224 31.152 9.187 1.00 0.51 H new ATOM 0 HG3 MET A 8 -25.260 29.406 9.036 1.00 0.51 H new ATOM 0 HE1 MET A 8 -28.629 32.257 10.240 1.00 0.35 H new ATOM 0 HE2 MET A 8 -27.511 31.717 11.515 1.00 0.35 H new ATOM 0 HE3 MET A 8 -26.886 32.582 10.090 1.00 0.35 H new ATOM 128 N GLU A 9 -22.564 31.277 9.139 1.00 0.45 N ATOM 129 CA GLU A 9 -22.163 32.383 8.278 1.00 0.55 C ATOM 130 C GLU A 9 -22.471 32.110 6.853 1.00 0.57 C ATOM 131 O GLU A 9 -21.584 31.732 6.093 1.00 1.27 O ATOM 132 CB GLU A 9 -20.664 32.532 8.462 1.00 1.10 C ATOM 133 CG GLU A 9 -20.015 33.724 7.609 1.00 1.63 C ATOM 134 CD GLU A 9 -18.562 34.061 7.885 1.00 2.20 C ATOM 135 OE1 GLU A 9 -17.896 33.365 8.644 1.00 2.75 O ATOM 136 OE2 GLU A 9 -18.064 35.128 7.376 1.00 2.52 O ATOM 0 H GLU A 9 -22.634 30.397 8.628 1.00 0.45 H new ATOM 0 HA GLU A 9 -22.705 33.290 8.545 1.00 0.55 H new ATOM 0 HB2 GLU A 9 -20.453 32.699 9.518 1.00 1.10 H new ATOM 0 HB3 GLU A 9 -20.180 31.596 8.185 1.00 1.10 H new ATOM 0 HG2 GLU A 9 -20.109 33.474 6.552 1.00 1.63 H new ATOM 0 HG3 GLU A 9 -20.608 34.623 7.778 1.00 1.63 H new ATOM 143 N SER A 10 -23.757 32.041 6.504 1.00 0.59 N ATOM 144 CA SER A 10 -24.262 32.092 5.121 1.00 0.94 C ATOM 145 C SER A 10 -25.787 32.037 5.159 1.00 0.68 C ATOM 146 O SER A 10 -26.342 31.091 5.722 1.00 1.26 O ATOM 147 CB SER A 10 -23.790 30.915 4.252 1.00 1.86 C ATOM 148 OG SER A 10 -24.172 31.133 2.908 1.00 2.52 O ATOM 0 H SER A 10 -24.503 31.945 7.193 1.00 0.59 H new ATOM 0 HA SER A 10 -23.877 33.013 4.682 1.00 0.94 H new ATOM 0 HB2 SER A 10 -22.707 30.811 4.320 1.00 1.86 H new ATOM 0 HB3 SER A 10 -24.223 29.984 4.617 1.00 1.86 H new ATOM 0 HG SER A 10 -23.869 30.382 2.356 1.00 2.52 H new ATOM 154 N GLU A 11 -26.459 32.997 4.513 1.00 0.49 N ATOM 155 CA GLU A 11 -27.851 33.058 4.343 1.00 0.37 C ATOM 156 C GLU A 11 -28.229 33.463 2.949 1.00 0.30 C ATOM 157 O GLU A 11 -27.929 34.573 2.520 1.00 0.40 O ATOM 158 CB GLU A 11 -28.538 33.915 5.451 1.00 0.77 C ATOM 159 CG GLU A 11 -27.828 34.004 6.868 1.00 0.96 C ATOM 160 CD GLU A 11 -26.699 35.067 6.942 1.00 1.37 C ATOM 161 OE1 GLU A 11 -26.984 36.298 6.677 1.00 1.76 O ATOM 162 OE2 GLU A 11 -25.544 34.800 7.340 1.00 1.92 O ATOM 0 H GLU A 11 -25.981 33.787 4.080 1.00 0.49 H new ATOM 0 HA GLU A 11 -28.241 32.048 4.471 1.00 0.37 H new ATOM 0 HB2 GLU A 11 -28.649 34.930 5.068 1.00 0.77 H new ATOM 0 HB3 GLU A 11 -29.542 33.520 5.604 1.00 0.77 H new ATOM 0 HG2 GLU A 11 -28.578 34.232 7.625 1.00 0.96 H new ATOM 0 HG3 GLU A 11 -27.411 33.028 7.116 1.00 0.96 H new ATOM 169 N LYS A 12 -28.908 32.592 2.192 1.00 0.24 N ATOM 170 CA LYS A 12 -29.215 32.820 0.769 1.00 0.23 C ATOM 171 C LYS A 12 -30.711 32.663 0.512 1.00 0.18 C ATOM 172 O LYS A 12 -31.161 31.532 0.437 1.00 0.19 O ATOM 173 CB LYS A 12 -28.337 31.849 -0.051 1.00 0.32 C ATOM 174 CG LYS A 12 -28.605 31.809 -1.564 1.00 0.41 C ATOM 175 CD LYS A 12 -28.499 33.182 -2.240 1.00 0.53 C ATOM 176 CE LYS A 12 -28.575 32.999 -3.759 1.00 1.24 C ATOM 177 NZ LYS A 12 -28.595 34.304 -4.466 1.00 1.90 N ATOM 0 H LYS A 12 -29.263 31.705 2.548 1.00 0.24 H new ATOM 0 HA LYS A 12 -28.981 33.839 0.462 1.00 0.23 H new ATOM 0 HB2 LYS A 12 -27.292 32.116 0.105 1.00 0.32 H new ATOM 0 HB3 LYS A 12 -28.472 30.844 0.348 1.00 0.32 H new ATOM 0 HG2 LYS A 12 -27.896 31.126 -2.033 1.00 0.41 H new ATOM 0 HG3 LYS A 12 -29.601 31.403 -1.738 1.00 0.41 H new ATOM 0 HD2 LYS A 12 -29.304 33.833 -1.899 1.00 0.53 H new ATOM 0 HD3 LYS A 12 -27.561 33.665 -1.966 1.00 0.53 H new ATOM 0 HE2 LYS A 12 -27.721 32.413 -4.099 1.00 1.24 H new ATOM 0 HE3 LYS A 12 -29.471 32.433 -4.014 1.00 1.24 H new ATOM 0 HZ1 LYS A 12 -28.647 34.142 -5.492 1.00 1.90 H new ATOM 0 HZ2 LYS A 12 -29.424 34.852 -4.160 1.00 1.90 H new ATOM 0 HZ3 LYS A 12 -27.728 34.833 -4.242 1.00 1.90 H new ATOM 191 N ASN A 13 -31.410 33.759 0.157 1.00 0.18 N ATOM 192 CA ASN A 13 -32.893 33.865 0.071 1.00 0.16 C ATOM 193 C ASN A 13 -33.626 33.914 1.448 1.00 0.17 C ATOM 194 O ASN A 13 -34.840 33.751 1.535 1.00 0.19 O ATOM 195 CB ASN A 13 -33.407 32.751 -0.873 1.00 0.16 C ATOM 196 CG ASN A 13 -34.803 32.983 -1.407 1.00 0.18 C ATOM 197 OD1 ASN A 13 -35.151 34.082 -1.792 1.00 0.24 O ATOM 198 ND2 ASN A 13 -35.442 31.916 -1.827 1.00 0.18 N ATOM 0 H ASN A 13 -30.945 34.633 -0.089 1.00 0.18 H new ATOM 0 HA ASN A 13 -33.142 34.838 -0.352 1.00 0.16 H new ATOM 0 HB2 ASN A 13 -32.720 32.658 -1.714 1.00 0.16 H new ATOM 0 HB3 ASN A 13 -33.388 31.801 -0.339 1.00 0.16 H new ATOM 0 HD21 ASN A 13 -36.226 32.012 -2.473 1.00 0.18 H new ATOM 0 HD22 ASN A 13 -35.155 30.991 -1.508 1.00 0.18 H new ATOM 205 N TYR A 14 -32.905 34.282 2.504 1.00 0.20 N ATOM 206 CA TYR A 14 -33.208 34.222 3.941 1.00 0.22 C ATOM 207 C TYR A 14 -34.493 34.959 4.391 1.00 0.21 C ATOM 208 O TYR A 14 -35.241 34.415 5.165 1.00 0.24 O ATOM 209 CB TYR A 14 -31.911 34.570 4.743 1.00 0.29 C ATOM 210 CG TYR A 14 -31.464 36.032 4.600 1.00 0.81 C ATOM 211 CD1 TYR A 14 -30.537 36.454 3.578 1.00 1.82 C ATOM 212 CD2 TYR A 14 -31.903 36.950 5.510 1.00 1.38 C ATOM 213 CE1 TYR A 14 -30.336 37.831 3.331 1.00 2.29 C ATOM 214 CE2 TYR A 14 -31.604 38.317 5.303 1.00 1.79 C ATOM 215 CZ TYR A 14 -30.739 38.772 4.245 1.00 1.96 C ATOM 216 OH TYR A 14 -30.454 40.146 4.013 1.00 2.54 O ATOM 0 H TYR A 14 -31.977 34.680 2.359 1.00 0.20 H new ATOM 0 HA TYR A 14 -33.492 33.198 4.182 1.00 0.22 H new ATOM 0 HB2 TYR A 14 -32.079 34.353 5.798 1.00 0.29 H new ATOM 0 HB3 TYR A 14 -31.103 33.919 4.409 1.00 0.29 H new ATOM 0 HD1 TYR A 14 -29.997 35.718 3.002 1.00 1.82 H new ATOM 0 HD2 TYR A 14 -32.470 36.637 6.375 1.00 1.38 H new ATOM 0 HE1 TYR A 14 -29.861 38.146 2.414 1.00 2.29 H new ATOM 0 HE2 TYR A 14 -32.042 39.049 5.965 1.00 1.79 H new ATOM 0 HH TYR A 14 -30.807 40.683 4.753 1.00 2.54 H new ATOM 226 N ASP A 15 -34.632 36.243 4.035 1.00 0.21 N ATOM 227 CA ASP A 15 -35.776 37.086 4.426 1.00 0.25 C ATOM 228 C ASP A 15 -37.130 36.604 3.872 1.00 0.22 C ATOM 229 O ASP A 15 -38.116 36.524 4.597 1.00 0.29 O ATOM 230 CB ASP A 15 -35.523 38.584 4.121 1.00 0.32 C ATOM 231 CG ASP A 15 -34.634 39.329 5.141 1.00 0.88 C ATOM 232 OD1 ASP A 15 -34.814 39.142 6.368 1.00 0.74 O ATOM 233 OD2 ASP A 15 -33.871 40.223 4.708 1.00 1.67 O ATOM 0 H ASP A 15 -33.947 36.734 3.461 1.00 0.21 H new ATOM 0 HA ASP A 15 -35.856 36.978 5.508 1.00 0.25 H new ATOM 0 HB2 ASP A 15 -35.062 38.664 3.137 1.00 0.32 H new ATOM 0 HB3 ASP A 15 -36.485 39.093 4.064 1.00 0.32 H new ATOM 238 N GLU A 16 -37.134 36.115 2.628 1.00 0.18 N ATOM 239 CA GLU A 16 -38.320 35.517 1.999 1.00 0.21 C ATOM 240 C GLU A 16 -38.605 34.086 2.454 1.00 0.20 C ATOM 241 O GLU A 16 -39.735 33.777 2.829 1.00 0.25 O ATOM 242 CB GLU A 16 -38.208 35.561 0.463 1.00 0.26 C ATOM 243 CG GLU A 16 -38.305 36.978 -0.127 1.00 0.30 C ATOM 244 CD GLU A 16 -39.627 37.688 0.207 1.00 0.64 C ATOM 245 OE1 GLU A 16 -40.706 37.072 0.038 1.00 0.77 O ATOM 246 OE2 GLU A 16 -39.559 38.860 0.639 1.00 1.00 O ATOM 0 H GLU A 16 -36.312 36.122 2.025 1.00 0.18 H new ATOM 0 HA GLU A 16 -39.162 36.125 2.329 1.00 0.21 H new ATOM 0 HB2 GLU A 16 -37.258 35.118 0.165 1.00 0.26 H new ATOM 0 HB3 GLU A 16 -38.997 34.944 0.033 1.00 0.26 H new ATOM 0 HG2 GLU A 16 -37.475 37.577 0.247 1.00 0.30 H new ATOM 0 HG3 GLU A 16 -38.195 36.921 -1.210 1.00 0.30 H new ATOM 253 N PHE A 17 -37.551 33.272 2.526 1.00 0.16 N ATOM 254 CA PHE A 17 -37.634 31.905 3.006 1.00 0.15 C ATOM 255 C PHE A 17 -38.232 31.795 4.409 1.00 0.16 C ATOM 256 O PHE A 17 -39.228 31.094 4.605 1.00 0.17 O ATOM 257 CB PHE A 17 -36.270 31.210 2.843 1.00 0.16 C ATOM 258 CG PHE A 17 -36.138 29.827 3.455 1.00 0.16 C ATOM 259 CD1 PHE A 17 -35.696 29.665 4.781 1.00 0.20 C ATOM 260 CD2 PHE A 17 -36.401 28.690 2.668 1.00 0.16 C ATOM 261 CE1 PHE A 17 -35.539 28.374 5.314 1.00 0.22 C ATOM 262 CE2 PHE A 17 -36.239 27.400 3.202 1.00 0.19 C ATOM 263 CZ PHE A 17 -35.811 27.243 4.529 1.00 0.18 C ATOM 0 H PHE A 17 -36.610 33.552 2.249 1.00 0.16 H new ATOM 0 HA PHE A 17 -38.348 31.364 2.384 1.00 0.15 H new ATOM 0 HB2 PHE A 17 -36.051 31.134 1.778 1.00 0.16 H new ATOM 0 HB3 PHE A 17 -35.505 31.852 3.281 1.00 0.16 H new ATOM 0 HD1 PHE A 17 -35.478 30.531 5.388 1.00 0.20 H new ATOM 0 HD2 PHE A 17 -36.730 28.810 1.646 1.00 0.16 H new ATOM 0 HE1 PHE A 17 -35.207 28.252 6.334 1.00 0.22 H new ATOM 0 HE2 PHE A 17 -36.443 26.532 2.593 1.00 0.19 H new ATOM 0 HZ PHE A 17 -35.691 26.254 4.945 1.00 0.18 H new ATOM 273 N MET A 18 -37.800 32.651 5.343 1.00 0.18 N ATOM 274 CA MET A 18 -38.253 32.448 6.713 1.00 0.19 C ATOM 275 C MET A 18 -39.686 32.960 6.998 1.00 0.20 C ATOM 276 O MET A 18 -40.468 32.356 7.746 1.00 0.22 O ATOM 277 CB MET A 18 -37.325 33.004 7.788 1.00 0.20 C ATOM 278 CG MET A 18 -36.004 32.211 7.937 1.00 0.39 C ATOM 279 SD MET A 18 -36.353 30.480 8.531 1.00 1.06 S ATOM 280 CE MET A 18 -34.616 30.041 8.553 1.00 0.36 C ATOM 0 H MET A 18 -37.176 33.443 5.187 1.00 0.18 H new ATOM 0 HA MET A 18 -38.245 31.360 6.780 1.00 0.19 H new ATOM 0 HB2 MET A 18 -37.091 34.042 7.553 1.00 0.20 H new ATOM 0 HB3 MET A 18 -37.849 33.004 8.744 1.00 0.20 H new ATOM 0 HG2 MET A 18 -35.483 32.176 6.980 1.00 0.39 H new ATOM 0 HG3 MET A 18 -35.345 32.718 8.641 1.00 0.39 H new ATOM 0 HE1 MET A 18 -34.462 29.197 9.226 1.00 0.36 H new ATOM 0 HE2 MET A 18 -34.297 29.766 7.548 1.00 0.36 H new ATOM 0 HE3 MET A 18 -34.030 30.892 8.899 1.00 0.36 H new ATOM 290 N LYS A 19 -40.048 34.049 6.231 1.00 0.20 N ATOM 291 CA LYS A 19 -41.416 34.572 6.158 1.00 0.23 C ATOM 292 C LYS A 19 -42.374 33.568 5.646 1.00 0.23 C ATOM 293 O LYS A 19 -43.466 33.410 6.168 1.00 0.29 O ATOM 294 CB LYS A 19 -41.503 35.839 5.252 1.00 0.25 C ATOM 295 CG LYS A 19 -41.033 37.152 5.924 1.00 0.32 C ATOM 296 CD LYS A 19 -41.443 38.370 5.045 1.00 0.87 C ATOM 297 CE LYS A 19 -40.557 38.530 3.811 1.00 1.40 C ATOM 298 NZ LYS A 19 -41.417 38.564 2.599 1.00 1.82 N ATOM 0 H LYS A 19 -39.383 34.569 5.658 1.00 0.20 H new ATOM 0 HA LYS A 19 -41.684 34.833 7.182 1.00 0.23 H new ATOM 0 HB2 LYS A 19 -40.903 35.670 4.358 1.00 0.25 H new ATOM 0 HB3 LYS A 19 -42.535 35.964 4.925 1.00 0.25 H new ATOM 0 HG2 LYS A 19 -41.476 37.242 6.916 1.00 0.32 H new ATOM 0 HG3 LYS A 19 -39.951 37.136 6.058 1.00 0.32 H new ATOM 0 HD2 LYS A 19 -42.480 38.253 4.730 1.00 0.87 H new ATOM 0 HD3 LYS A 19 -41.392 39.279 5.644 1.00 0.87 H new ATOM 0 HE2 LYS A 19 -39.972 39.447 3.884 1.00 1.40 H new ATOM 0 HE3 LYS A 19 -39.848 37.704 3.747 1.00 1.40 H new ATOM 0 HZ1 LYS A 19 -40.912 39.046 1.828 1.00 1.82 H new ATOM 0 HZ2 LYS A 19 -41.646 37.592 2.309 1.00 1.82 H new ATOM 0 HZ3 LYS A 19 -42.296 39.078 2.811 1.00 1.82 H new ATOM 312 N LEU A 20 -42.070 32.911 4.531 1.00 0.20 N ATOM 313 CA LEU A 20 -43.026 31.940 3.915 1.00 0.20 C ATOM 314 C LEU A 20 -43.285 30.822 4.838 1.00 0.21 C ATOM 315 O LEU A 20 -44.370 30.262 4.901 1.00 0.25 O ATOM 316 CB LEU A 20 -42.407 31.403 2.591 1.00 0.19 C ATOM 317 CG LEU A 20 -42.340 32.396 1.411 1.00 0.22 C ATOM 318 CD1 LEU A 20 -41.369 32.048 0.271 1.00 0.21 C ATOM 319 CD2 LEU A 20 -43.786 32.709 0.849 1.00 0.27 C ATOM 0 H LEU A 20 -41.189 33.016 4.027 1.00 0.20 H new ATOM 0 HA LEU A 20 -43.972 32.440 3.708 1.00 0.20 H new ATOM 0 HB2 LEU A 20 -41.396 31.056 2.803 1.00 0.19 H new ATOM 0 HB3 LEU A 20 -42.982 30.533 2.273 1.00 0.19 H new ATOM 0 HG LEU A 20 -41.906 33.292 1.854 1.00 0.22 H new ATOM 0 HD11 LEU A 20 -41.415 32.822 -0.495 1.00 0.21 H new ATOM 0 HD12 LEU A 20 -40.354 31.986 0.664 1.00 0.21 H new ATOM 0 HD13 LEU A 20 -41.648 31.089 -0.165 1.00 0.21 H new ATOM 0 HD21 LEU A 20 -43.710 33.411 0.019 1.00 0.27 H new ATOM 0 HD22 LEU A 20 -44.249 31.785 0.502 1.00 0.27 H new ATOM 0 HD23 LEU A 20 -44.397 33.147 1.639 1.00 0.27 H new ATOM 331 N LEU A 21 -42.252 30.488 5.657 1.00 0.19 N ATOM 332 CA LEU A 21 -42.384 29.345 6.598 1.00 0.20 C ATOM 333 C LEU A 21 -43.212 29.703 7.845 1.00 0.23 C ATOM 334 O LEU A 21 -43.955 28.895 8.377 1.00 0.25 O ATOM 335 CB LEU A 21 -40.957 28.887 7.016 1.00 0.22 C ATOM 336 CG LEU A 21 -40.494 27.908 5.944 1.00 0.40 C ATOM 337 CD1 LEU A 21 -39.042 27.786 5.838 1.00 1.20 C ATOM 338 CD2 LEU A 21 -41.310 26.539 6.009 1.00 0.80 C ATOM 0 H LEU A 21 -41.354 30.971 5.686 1.00 0.19 H new ATOM 0 HA LEU A 21 -42.916 28.540 6.091 1.00 0.20 H new ATOM 0 HB2 LEU A 21 -40.279 29.738 7.085 1.00 0.22 H new ATOM 0 HB3 LEU A 21 -40.972 28.412 7.997 1.00 0.22 H new ATOM 0 HG LEU A 21 -40.751 28.339 4.976 1.00 0.40 H new ATOM 0 HD11 LEU A 21 -38.793 27.071 5.054 1.00 1.20 H new ATOM 0 HD12 LEU A 21 -38.612 28.757 5.593 1.00 1.20 H new ATOM 0 HD13 LEU A 21 -38.636 27.438 6.788 1.00 1.20 H new ATOM 0 HD21 LEU A 21 -40.953 25.865 5.230 1.00 0.80 H new ATOM 0 HD22 LEU A 21 -41.165 26.075 6.985 1.00 0.80 H new ATOM 0 HD23 LEU A 21 -42.370 26.740 5.857 1.00 0.80 H new ATOM 350 N GLY A 22 -43.173 31.003 8.220 1.00 0.30 N ATOM 351 CA GLY A 22 -44.057 31.582 9.232 1.00 0.36 C ATOM 352 C GLY A 22 -43.259 32.231 10.321 1.00 0.36 C ATOM 353 O GLY A 22 -43.748 32.219 11.426 1.00 0.40 O ATOM 0 H GLY A 22 -42.519 31.676 7.820 1.00 0.30 H new ATOM 0 HA2 GLY A 22 -44.716 32.317 8.769 1.00 0.36 H new ATOM 0 HA3 GLY A 22 -44.693 30.804 9.654 1.00 0.36 H new ATOM 357 N ILE A 23 -42.132 32.883 10.029 1.00 0.34 N ATOM 358 CA ILE A 23 -41.473 33.810 10.954 1.00 0.34 C ATOM 359 C ILE A 23 -41.858 35.247 10.573 1.00 0.33 C ATOM 360 O ILE A 23 -41.562 35.700 9.473 1.00 0.31 O ATOM 361 CB ILE A 23 -39.941 33.588 10.974 1.00 0.30 C ATOM 362 CG1 ILE A 23 -39.614 32.075 11.038 1.00 0.30 C ATOM 363 CG2 ILE A 23 -39.343 34.373 12.157 1.00 0.35 C ATOM 364 CD1 ILE A 23 -38.210 31.675 11.496 1.00 0.38 C ATOM 0 H ILE A 23 -41.647 32.783 9.138 1.00 0.34 H new ATOM 0 HA ILE A 23 -41.813 33.622 11.972 1.00 0.34 H new ATOM 0 HB ILE A 23 -39.490 33.962 10.055 1.00 0.30 H new ATOM 0 HG12 ILE A 23 -40.333 31.603 11.707 1.00 0.30 H new ATOM 0 HG13 ILE A 23 -39.777 31.653 10.046 1.00 0.30 H new ATOM 0 HG21 ILE A 23 -38.263 34.225 12.183 1.00 0.35 H new ATOM 0 HG22 ILE A 23 -39.561 35.434 12.037 1.00 0.35 H new ATOM 0 HG23 ILE A 23 -39.781 34.016 13.089 1.00 0.35 H new ATOM 0 HD11 ILE A 23 -38.122 30.589 11.493 1.00 0.38 H new ATOM 0 HD12 ILE A 23 -37.471 32.101 10.818 1.00 0.38 H new ATOM 0 HD13 ILE A 23 -38.036 32.050 12.504 1.00 0.38 H new ATOM 376 N SER A 24 -42.461 36.000 11.497 1.00 0.36 N ATOM 377 CA SER A 24 -42.887 37.351 11.325 1.00 0.37 C ATOM 378 C SER A 24 -41.741 38.412 11.105 1.00 0.35 C ATOM 379 O SER A 24 -41.598 39.100 10.066 1.00 0.33 O ATOM 380 CB SER A 24 -43.800 37.959 12.447 1.00 0.43 C ATOM 381 OG SER A 24 -44.888 37.081 12.653 1.00 0.71 O ATOM 0 H SER A 24 -42.667 35.643 12.430 1.00 0.36 H new ATOM 0 HA SER A 24 -43.467 37.203 10.414 1.00 0.37 H new ATOM 0 HB2 SER A 24 -43.234 38.087 13.370 1.00 0.43 H new ATOM 0 HB3 SER A 24 -44.158 38.946 12.153 1.00 0.43 H new ATOM 0 HG SER A 24 -45.471 37.442 13.353 1.00 0.71 H new ATOM 387 N SER A 25 -40.854 38.428 12.155 1.00 0.37 N ATOM 388 CA SER A 25 -39.597 39.114 12.123 1.00 0.37 C ATOM 389 C SER A 25 -38.682 38.499 13.107 1.00 0.36 C ATOM 390 O SER A 25 -37.461 38.648 12.993 1.00 0.37 O ATOM 391 CB SER A 25 -39.800 40.578 12.450 1.00 0.42 C ATOM 392 OG SER A 25 -38.732 41.421 12.226 1.00 1.04 O ATOM 0 H SER A 25 -41.032 37.948 13.037 1.00 0.37 H new ATOM 0 HA SER A 25 -39.164 39.035 11.126 1.00 0.37 H new ATOM 0 HB2 SER A 25 -40.647 40.941 11.868 1.00 0.42 H new ATOM 0 HB3 SER A 25 -40.079 40.655 13.501 1.00 0.42 H new ATOM 0 HG SER A 25 -38.981 42.337 12.471 1.00 1.04 H new ATOM 398 N ASP A 26 -39.166 37.700 14.074 1.00 0.40 N ATOM 399 CA ASP A 26 -38.382 37.378 15.264 1.00 0.44 C ATOM 400 C ASP A 26 -37.032 36.699 15.006 1.00 0.40 C ATOM 401 O ASP A 26 -36.030 37.329 15.317 1.00 0.43 O ATOM 402 CB ASP A 26 -39.238 36.682 16.331 1.00 0.49 C ATOM 403 CG ASP A 26 -38.445 36.275 17.582 1.00 0.85 C ATOM 404 OD1 ASP A 26 -37.385 36.878 17.885 1.00 1.29 O ATOM 405 OD2 ASP A 26 -38.890 35.343 18.272 1.00 0.94 O ATOM 0 H ASP A 26 -40.091 37.271 14.049 1.00 0.40 H new ATOM 0 HA ASP A 26 -38.078 38.341 15.674 1.00 0.44 H new ATOM 0 HB2 ASP A 26 -40.050 37.347 16.625 1.00 0.49 H new ATOM 0 HB3 ASP A 26 -39.696 35.794 15.896 1.00 0.49 H new ATOM 410 N VAL A 27 -36.952 35.560 14.298 1.00 0.36 N ATOM 411 CA VAL A 27 -35.665 34.873 14.108 1.00 0.35 C ATOM 412 C VAL A 27 -34.826 35.524 12.996 1.00 0.31 C ATOM 413 O VAL A 27 -33.622 35.618 13.112 1.00 0.31 O ATOM 414 CB VAL A 27 -35.780 33.385 13.884 1.00 0.37 C ATOM 415 CG1 VAL A 27 -34.420 32.737 13.459 1.00 0.46 C ATOM 416 CG2 VAL A 27 -36.452 32.723 15.100 1.00 0.58 C ATOM 0 H VAL A 27 -37.749 35.102 13.855 1.00 0.36 H new ATOM 0 HA VAL A 27 -35.146 34.995 15.059 1.00 0.35 H new ATOM 0 HB VAL A 27 -36.431 33.203 13.029 1.00 0.37 H new ATOM 0 HG11 VAL A 27 -34.558 31.666 13.311 1.00 0.46 H new ATOM 0 HG12 VAL A 27 -34.075 33.191 12.530 1.00 0.46 H new ATOM 0 HG13 VAL A 27 -33.678 32.902 14.240 1.00 0.46 H new ATOM 0 HG21 VAL A 27 -36.532 31.649 14.932 1.00 0.58 H new ATOM 0 HG22 VAL A 27 -35.853 32.907 15.992 1.00 0.58 H new ATOM 0 HG23 VAL A 27 -37.448 33.144 15.239 1.00 0.58 H new ATOM 426 N ILE A 28 -35.476 36.045 11.952 1.00 0.28 N ATOM 427 CA ILE A 28 -34.823 36.564 10.738 1.00 0.26 C ATOM 428 C ILE A 28 -34.050 37.861 10.974 1.00 0.27 C ATOM 429 O ILE A 28 -32.889 37.974 10.592 1.00 0.27 O ATOM 430 CB ILE A 28 -35.802 36.747 9.546 1.00 0.25 C ATOM 431 CG1 ILE A 28 -37.257 36.281 9.791 1.00 0.26 C ATOM 432 CG2 ILE A 28 -35.158 36.085 8.322 1.00 0.24 C ATOM 433 CD1 ILE A 28 -38.238 36.711 8.691 1.00 0.26 C ATOM 0 H ILE A 28 -36.493 36.121 11.922 1.00 0.28 H new ATOM 0 HA ILE A 28 -34.106 35.788 10.471 1.00 0.26 H new ATOM 0 HB ILE A 28 -35.940 37.816 9.386 1.00 0.25 H new ATOM 0 HG12 ILE A 28 -37.272 35.194 9.874 1.00 0.26 H new ATOM 0 HG13 ILE A 28 -37.600 36.678 10.746 1.00 0.26 H new ATOM 0 HG21 ILE A 28 -35.818 36.193 7.461 1.00 0.24 H new ATOM 0 HG22 ILE A 28 -34.203 36.565 8.109 1.00 0.24 H new ATOM 0 HG23 ILE A 28 -34.995 35.026 8.524 1.00 0.24 H new ATOM 0 HD11 ILE A 28 -39.237 36.348 8.932 1.00 0.26 H new ATOM 0 HD12 ILE A 28 -38.254 37.799 8.622 1.00 0.26 H new ATOM 0 HD13 ILE A 28 -37.921 36.292 7.736 1.00 0.26 H new ATOM 445 N GLU A 29 -34.595 38.772 11.792 1.00 0.30 N ATOM 446 CA GLU A 29 -33.891 39.981 12.241 1.00 0.32 C ATOM 447 C GLU A 29 -32.569 39.656 12.962 1.00 0.32 C ATOM 448 O GLU A 29 -31.571 40.369 12.817 1.00 0.36 O ATOM 449 CB GLU A 29 -34.837 40.765 13.163 1.00 0.38 C ATOM 450 CG GLU A 29 -34.211 41.987 13.849 1.00 0.79 C ATOM 451 CD GLU A 29 -35.208 42.584 14.835 1.00 1.14 C ATOM 452 OE1 GLU A 29 -35.219 42.058 15.973 1.00 1.48 O ATOM 453 OE2 GLU A 29 -36.172 43.211 14.347 1.00 1.29 O ATOM 0 H GLU A 29 -35.542 38.690 12.163 1.00 0.30 H new ATOM 0 HA GLU A 29 -33.621 40.579 11.370 1.00 0.32 H new ATOM 0 HB2 GLU A 29 -35.697 41.095 12.580 1.00 0.38 H new ATOM 0 HB3 GLU A 29 -35.214 40.089 13.931 1.00 0.38 H new ATOM 0 HG2 GLU A 29 -33.298 41.697 14.369 1.00 0.79 H new ATOM 0 HG3 GLU A 29 -33.930 42.731 13.104 1.00 0.79 H new ATOM 460 N LYS A 30 -32.547 38.541 13.688 1.00 0.33 N ATOM 461 CA LYS A 30 -31.421 38.087 14.502 1.00 0.37 C ATOM 462 C LYS A 30 -30.420 37.357 13.611 1.00 0.33 C ATOM 463 O LYS A 30 -29.237 37.691 13.648 1.00 0.37 O ATOM 464 CB LYS A 30 -31.950 37.197 15.645 1.00 0.45 C ATOM 465 CG LYS A 30 -33.208 37.756 16.334 1.00 0.52 C ATOM 466 CD LYS A 30 -33.126 39.088 17.091 1.00 0.76 C ATOM 467 CE LYS A 30 -34.450 39.366 17.831 1.00 0.88 C ATOM 468 NZ LYS A 30 -35.606 39.540 16.920 1.00 1.19 N ATOM 0 H LYS A 30 -33.343 37.904 13.727 1.00 0.33 H new ATOM 0 HA LYS A 30 -30.902 38.932 14.955 1.00 0.37 H new ATOM 0 HB2 LYS A 30 -32.174 36.207 15.248 1.00 0.45 H new ATOM 0 HB3 LYS A 30 -31.164 37.072 16.390 1.00 0.45 H new ATOM 0 HG2 LYS A 30 -33.979 37.861 15.571 1.00 0.52 H new ATOM 0 HG3 LYS A 30 -33.557 37.001 17.038 1.00 0.52 H new ATOM 0 HD2 LYS A 30 -32.302 39.059 17.804 1.00 0.76 H new ATOM 0 HD3 LYS A 30 -32.915 39.898 16.393 1.00 0.76 H new ATOM 0 HE2 LYS A 30 -34.656 38.542 18.515 1.00 0.88 H new ATOM 0 HE3 LYS A 30 -34.337 40.264 18.439 1.00 0.88 H new ATOM 0 HZ1 LYS A 30 -36.450 39.791 17.474 1.00 1.19 H new ATOM 0 HZ2 LYS A 30 -35.401 40.299 16.240 1.00 1.19 H new ATOM 0 HZ3 LYS A 30 -35.780 38.653 16.406 1.00 1.19 H new ATOM 482 N ALA A 31 -30.896 36.521 12.685 1.00 0.30 N ATOM 483 CA ALA A 31 -30.059 35.840 11.702 1.00 0.31 C ATOM 484 C ALA A 31 -29.327 36.705 10.705 1.00 0.32 C ATOM 485 O ALA A 31 -28.141 36.563 10.545 1.00 0.40 O ATOM 486 CB ALA A 31 -30.937 34.903 10.870 1.00 0.34 C ATOM 0 H ALA A 31 -31.887 36.297 12.598 1.00 0.30 H new ATOM 0 HA ALA A 31 -29.299 35.350 12.311 1.00 0.31 H new ATOM 0 HB1 ALA A 31 -30.322 34.388 10.132 1.00 0.34 H new ATOM 0 HB2 ALA A 31 -31.408 34.170 11.524 1.00 0.34 H new ATOM 0 HB3 ALA A 31 -31.707 35.483 10.361 1.00 0.34 H new ATOM 492 N ARG A 32 -30.042 37.678 10.076 1.00 0.28 N ATOM 493 CA ARG A 32 -29.384 38.612 9.118 1.00 0.31 C ATOM 494 C ARG A 32 -28.211 39.360 9.733 1.00 0.35 C ATOM 495 O ARG A 32 -27.084 39.493 9.206 1.00 0.43 O ATOM 496 CB ARG A 32 -30.439 39.530 8.420 1.00 0.35 C ATOM 497 CG ARG A 32 -31.089 40.646 9.165 1.00 0.34 C ATOM 498 CD ARG A 32 -31.653 41.744 8.253 1.00 0.45 C ATOM 499 NE ARG A 32 -32.304 42.550 9.236 1.00 1.13 N ATOM 500 CZ ARG A 32 -33.617 42.700 9.421 1.00 1.47 C ATOM 501 NH1 ARG A 32 -34.486 42.010 8.751 1.00 1.06 N ATOM 502 NH2 ARG A 32 -34.043 43.458 10.412 1.00 2.40 N ATOM 0 H ARG A 32 -31.041 37.834 10.208 1.00 0.28 H new ATOM 0 HA ARG A 32 -28.929 38.016 8.327 1.00 0.31 H new ATOM 0 HB2 ARG A 32 -29.956 39.967 7.546 1.00 0.35 H new ATOM 0 HB3 ARG A 32 -31.235 38.882 8.054 1.00 0.35 H new ATOM 0 HG2 ARG A 32 -31.896 40.243 9.777 1.00 0.34 H new ATOM 0 HG3 ARG A 32 -30.363 41.089 9.847 1.00 0.34 H new ATOM 0 HD2 ARG A 32 -30.874 42.285 7.716 1.00 0.45 H new ATOM 0 HD3 ARG A 32 -32.344 41.355 7.505 1.00 0.45 H new ATOM 0 HE ARG A 32 -31.696 43.070 9.869 1.00 1.13 H new ATOM 0 HH11 ARG A 32 -34.173 41.329 8.059 1.00 1.06 H new ATOM 0 HH12 ARG A 32 -35.483 42.148 8.916 1.00 1.06 H new ATOM 0 HH21 ARG A 32 -33.372 43.921 11.025 1.00 2.40 H new ATOM 0 HH22 ARG A 32 -35.044 43.582 10.566 1.00 2.40 H new ATOM 516 N ASN A 33 -28.370 39.813 11.002 1.00 0.35 N ATOM 517 CA ASN A 33 -27.344 40.690 11.605 1.00 0.42 C ATOM 518 C ASN A 33 -26.241 39.892 12.354 1.00 0.38 C ATOM 519 O ASN A 33 -25.026 39.977 12.034 1.00 0.47 O ATOM 520 CB ASN A 33 -28.075 41.641 12.629 1.00 0.53 C ATOM 521 CG ASN A 33 -28.621 42.950 12.069 1.00 0.68 C ATOM 522 OD1 ASN A 33 -27.827 43.737 11.553 1.00 1.09 O ATOM 523 ND2 ASN A 33 -29.981 43.116 12.054 1.00 0.61 N ATOM 0 H ASN A 33 -29.165 39.596 11.603 1.00 0.35 H new ATOM 0 HA ASN A 33 -26.850 41.245 10.807 1.00 0.42 H new ATOM 0 HB2 ASN A 33 -28.902 41.090 13.077 1.00 0.53 H new ATOM 0 HB3 ASN A 33 -27.378 41.878 13.433 1.00 0.53 H new ATOM 0 HD21 ASN A 33 -30.390 43.930 11.596 1.00 0.61 H new ATOM 0 HD22 ASN A 33 -30.584 42.425 12.501 1.00 0.61 H new ATOM 530 N PHE A 34 -26.665 39.059 13.305 1.00 0.35 N ATOM 531 CA PHE A 34 -25.810 38.282 14.207 1.00 0.42 C ATOM 532 C PHE A 34 -25.358 36.897 13.744 1.00 0.46 C ATOM 533 O PHE A 34 -24.287 36.460 14.139 1.00 0.78 O ATOM 534 CB PHE A 34 -26.441 38.306 15.611 1.00 0.52 C ATOM 535 CG PHE A 34 -26.086 37.191 16.583 1.00 0.94 C ATOM 536 CD1 PHE A 34 -26.708 35.929 16.468 1.00 0.75 C ATOM 537 CD2 PHE A 34 -25.174 37.422 17.628 1.00 1.98 C ATOM 538 CE1 PHE A 34 -26.395 34.898 17.374 1.00 1.54 C ATOM 539 CE2 PHE A 34 -24.877 36.398 18.546 1.00 2.84 C ATOM 540 CZ PHE A 34 -25.480 35.135 18.414 1.00 2.62 C ATOM 0 H PHE A 34 -27.658 38.899 13.476 1.00 0.35 H new ATOM 0 HA PHE A 34 -24.842 38.782 14.216 1.00 0.42 H new ATOM 0 HB2 PHE A 34 -26.172 39.253 16.080 1.00 0.52 H new ATOM 0 HB3 PHE A 34 -27.524 38.307 15.488 1.00 0.52 H new ATOM 0 HD1 PHE A 34 -27.427 35.754 15.682 1.00 0.75 H new ATOM 0 HD2 PHE A 34 -24.700 38.388 17.726 1.00 1.98 H new ATOM 0 HE1 PHE A 34 -26.857 33.927 17.270 1.00 1.54 H new ATOM 0 HE2 PHE A 34 -24.184 36.583 19.354 1.00 2.84 H new ATOM 0 HZ PHE A 34 -25.240 34.347 19.112 1.00 2.62 H new ATOM 550 N LYS A 35 -26.167 36.268 12.877 1.00 0.33 N ATOM 551 CA LYS A 35 -26.071 34.884 12.379 1.00 0.36 C ATOM 552 C LYS A 35 -25.937 33.805 13.478 1.00 0.37 C ATOM 553 O LYS A 35 -24.950 33.676 14.185 1.00 0.53 O ATOM 554 CB LYS A 35 -25.146 34.729 11.140 1.00 0.58 C ATOM 555 CG LYS A 35 -23.801 35.480 11.078 1.00 1.15 C ATOM 556 CD LYS A 35 -23.823 36.985 10.717 1.00 1.36 C ATOM 557 CE LYS A 35 -24.001 37.342 9.229 1.00 1.90 C ATOM 558 NZ LYS A 35 -25.389 37.166 8.744 1.00 2.56 N ATOM 0 H LYS A 35 -26.969 36.751 12.473 1.00 0.33 H new ATOM 0 HA LYS A 35 -27.058 34.658 11.977 1.00 0.36 H new ATOM 0 HB2 LYS A 35 -24.928 33.667 11.030 1.00 0.58 H new ATOM 0 HB3 LYS A 35 -25.724 35.028 10.266 1.00 0.58 H new ATOM 0 HG2 LYS A 35 -23.316 35.377 12.049 1.00 1.15 H new ATOM 0 HG3 LYS A 35 -23.168 34.972 10.350 1.00 1.15 H new ATOM 0 HD2 LYS A 35 -24.630 37.457 11.278 1.00 1.36 H new ATOM 0 HD3 LYS A 35 -22.891 37.431 11.064 1.00 1.36 H new ATOM 0 HE2 LYS A 35 -23.698 38.377 9.073 1.00 1.90 H new ATOM 0 HE3 LYS A 35 -23.334 36.721 8.632 1.00 1.90 H new ATOM 0 HZ1 LYS A 35 -25.380 36.635 7.850 1.00 2.56 H new ATOM 0 HZ2 LYS A 35 -25.940 36.641 9.452 1.00 2.56 H new ATOM 0 HZ3 LYS A 35 -25.823 38.098 8.589 1.00 2.56 H new ATOM 572 N ILE A 36 -27.047 33.086 13.672 1.00 0.35 N ATOM 573 CA ILE A 36 -27.398 32.052 14.650 1.00 0.35 C ATOM 574 C ILE A 36 -26.300 31.122 15.108 1.00 0.34 C ATOM 575 O ILE A 36 -25.403 30.833 14.321 1.00 0.43 O ATOM 576 CB ILE A 36 -28.667 31.349 14.185 1.00 0.37 C ATOM 577 CG1 ILE A 36 -29.699 32.274 13.398 1.00 0.44 C ATOM 578 CG2 ILE A 36 -29.343 30.707 15.379 1.00 0.36 C ATOM 579 CD1 ILE A 36 -30.219 33.429 14.253 1.00 0.41 C ATOM 0 H ILE A 36 -27.840 33.242 13.049 1.00 0.35 H new ATOM 0 HA ILE A 36 -27.585 32.574 15.589 1.00 0.35 H new ATOM 0 HB ILE A 36 -28.351 30.600 13.459 1.00 0.37 H new ATOM 0 HG12 ILE A 36 -29.216 32.675 12.507 1.00 0.44 H new ATOM 0 HG13 ILE A 36 -30.540 31.669 13.060 1.00 0.44 H new ATOM 0 HG21 ILE A 36 -30.252 30.202 15.054 1.00 0.36 H new ATOM 0 HG22 ILE A 36 -28.668 29.982 15.833 1.00 0.36 H new ATOM 0 HG23 ILE A 36 -29.596 31.475 16.110 1.00 0.36 H new ATOM 0 HD11 ILE A 36 -30.918 34.028 13.669 1.00 0.41 H new ATOM 0 HD12 ILE A 36 -30.727 33.031 15.131 1.00 0.41 H new ATOM 0 HD13 ILE A 36 -29.383 34.053 14.569 1.00 0.41 H new ATOM 591 N VAL A 37 -26.279 30.542 16.326 1.00 0.30 N ATOM 592 CA VAL A 37 -25.393 29.570 16.822 1.00 0.27 C ATOM 593 C VAL A 37 -26.252 28.307 17.076 1.00 0.25 C ATOM 594 O VAL A 37 -27.440 28.357 17.361 1.00 0.31 O ATOM 595 CB VAL A 37 -24.583 29.990 18.111 1.00 0.30 C ATOM 596 CG1 VAL A 37 -23.642 31.170 17.740 1.00 0.83 C ATOM 597 CG2 VAL A 37 -25.497 30.425 19.243 1.00 0.85 C ATOM 0 H VAL A 37 -26.972 30.798 17.029 1.00 0.30 H new ATOM 0 HA VAL A 37 -24.605 29.404 16.087 1.00 0.27 H new ATOM 0 HB VAL A 37 -24.017 29.124 18.455 1.00 0.30 H new ATOM 0 HG11 VAL A 37 -23.074 31.473 18.620 1.00 0.83 H new ATOM 0 HG12 VAL A 37 -22.954 30.854 16.955 1.00 0.83 H new ATOM 0 HG13 VAL A 37 -24.237 32.011 17.384 1.00 0.83 H new ATOM 0 HG21 VAL A 37 -24.896 30.705 20.109 1.00 0.85 H new ATOM 0 HG22 VAL A 37 -26.092 31.280 18.922 1.00 0.85 H new ATOM 0 HG23 VAL A 37 -26.160 29.603 19.512 1.00 0.85 H new ATOM 607 N THR A 38 -25.594 27.158 17.276 1.00 0.25 N ATOM 608 CA THR A 38 -26.251 25.928 17.780 1.00 0.25 C ATOM 609 C THR A 38 -25.381 24.983 18.607 1.00 0.23 C ATOM 610 O THR A 38 -24.202 24.805 18.305 1.00 0.24 O ATOM 611 CB THR A 38 -26.935 25.178 16.624 1.00 0.29 C ATOM 612 OG1 THR A 38 -27.921 24.251 17.005 1.00 0.39 O ATOM 613 CG2 THR A 38 -25.900 24.345 15.896 1.00 0.28 C ATOM 0 H THR A 38 -24.596 27.047 17.096 1.00 0.25 H new ATOM 0 HA THR A 38 -26.990 26.288 18.496 1.00 0.25 H new ATOM 0 HB THR A 38 -27.401 25.966 16.032 1.00 0.29 H new ATOM 0 HG1 THR A 38 -28.209 24.439 17.923 1.00 0.39 H new ATOM 0 HG21 THR A 38 -26.376 23.810 15.075 1.00 0.28 H new ATOM 0 HG22 THR A 38 -25.121 24.997 15.501 1.00 0.28 H new ATOM 0 HG23 THR A 38 -25.457 23.628 16.588 1.00 0.28 H new ATOM 621 N GLU A 39 -26.032 24.161 19.426 1.00 0.22 N ATOM 622 CA GLU A 39 -25.479 22.997 20.111 1.00 0.20 C ATOM 623 C GLU A 39 -26.377 21.784 19.796 1.00 0.18 C ATOM 624 O GLU A 39 -27.580 21.785 20.071 1.00 0.20 O ATOM 625 CB GLU A 39 -25.373 23.259 21.630 1.00 0.24 C ATOM 626 CG GLU A 39 -24.976 24.702 22.012 1.00 0.56 C ATOM 627 CD GLU A 39 -26.149 25.696 21.914 1.00 0.99 C ATOM 628 OE1 GLU A 39 -27.276 25.367 22.343 1.00 1.41 O ATOM 629 OE2 GLU A 39 -25.931 26.867 21.517 1.00 1.41 O ATOM 0 H GLU A 39 -27.019 24.299 19.642 1.00 0.22 H new ATOM 0 HA GLU A 39 -24.467 22.793 19.760 1.00 0.20 H new ATOM 0 HB2 GLU A 39 -26.332 23.027 22.092 1.00 0.24 H new ATOM 0 HB3 GLU A 39 -24.640 22.572 22.053 1.00 0.24 H new ATOM 0 HG2 GLU A 39 -24.586 24.708 23.030 1.00 0.56 H new ATOM 0 HG3 GLU A 39 -24.169 25.036 21.360 1.00 0.56 H new ATOM 636 N VAL A 40 -25.822 20.796 19.094 1.00 0.17 N ATOM 637 CA VAL A 40 -26.539 19.602 18.602 1.00 0.18 C ATOM 638 C VAL A 40 -26.204 18.404 19.468 1.00 0.19 C ATOM 639 O VAL A 40 -25.045 18.267 19.853 1.00 0.20 O ATOM 640 CB VAL A 40 -26.181 19.298 17.138 1.00 0.17 C ATOM 641 CG1 VAL A 40 -26.957 18.116 16.538 1.00 0.19 C ATOM 642 CG2 VAL A 40 -26.411 20.521 16.253 1.00 0.19 C ATOM 0 H VAL A 40 -24.834 20.797 18.841 1.00 0.17 H new ATOM 0 HA VAL A 40 -27.608 19.807 18.656 1.00 0.18 H new ATOM 0 HB VAL A 40 -25.126 19.026 17.159 1.00 0.17 H new ATOM 0 HG11 VAL A 40 -26.648 17.965 15.504 1.00 0.19 H new ATOM 0 HG12 VAL A 40 -26.749 17.214 17.114 1.00 0.19 H new ATOM 0 HG13 VAL A 40 -28.026 18.328 16.570 1.00 0.19 H new ATOM 0 HG21 VAL A 40 -26.150 20.279 15.223 1.00 0.19 H new ATOM 0 HG22 VAL A 40 -27.460 20.814 16.302 1.00 0.19 H new ATOM 0 HG23 VAL A 40 -25.788 21.345 16.601 1.00 0.19 H new ATOM 652 N GLN A 41 -27.129 17.451 19.604 1.00 0.22 N ATOM 653 CA GLN A 41 -26.899 16.212 20.334 1.00 0.27 C ATOM 654 C GLN A 41 -27.721 15.118 19.659 1.00 0.27 C ATOM 655 O GLN A 41 -28.937 15.255 19.515 1.00 0.31 O ATOM 656 CB GLN A 41 -27.268 16.379 21.824 1.00 0.41 C ATOM 657 CG GLN A 41 -26.337 15.589 22.763 1.00 0.37 C ATOM 658 CD GLN A 41 -26.093 14.137 22.352 1.00 1.30 C ATOM 659 OE1 GLN A 41 -25.064 13.623 21.928 1.00 2.15 O ATOM 660 NE2 GLN A 41 -27.105 13.305 22.458 1.00 2.00 N ATOM 0 H GLN A 41 -28.065 17.523 19.205 1.00 0.22 H new ATOM 0 HA GLN A 41 -25.844 15.939 20.310 1.00 0.27 H new ATOM 0 HB2 GLN A 41 -27.229 17.436 22.087 1.00 0.41 H new ATOM 0 HB3 GLN A 41 -28.296 16.050 21.978 1.00 0.41 H new ATOM 0 HG2 GLN A 41 -25.377 16.103 22.816 1.00 0.37 H new ATOM 0 HG3 GLN A 41 -26.761 15.601 23.767 1.00 0.37 H new ATOM 0 HE21 GLN A 41 -28.005 13.638 22.802 1.00 2.00 H new ATOM 0 HE22 GLN A 41 -26.990 12.326 22.196 1.00 2.00 H new ATOM 669 N GLN A 42 -27.060 14.084 19.144 1.00 0.27 N ATOM 670 CA GLN A 42 -27.782 12.965 18.487 1.00 0.30 C ATOM 671 C GLN A 42 -27.457 11.644 19.182 1.00 0.33 C ATOM 672 O GLN A 42 -26.296 11.239 19.114 1.00 0.42 O ATOM 673 CB GLN A 42 -27.427 12.919 16.981 1.00 0.43 C ATOM 674 CG GLN A 42 -28.078 11.710 16.276 1.00 0.51 C ATOM 675 CD GLN A 42 -27.692 11.496 14.813 1.00 0.77 C ATOM 676 OE1 GLN A 42 -26.738 12.048 14.268 1.00 1.16 O ATOM 677 NE2 GLN A 42 -28.325 10.534 14.177 1.00 0.73 N ATOM 0 H GLN A 42 -26.045 13.985 19.161 1.00 0.27 H new ATOM 0 HA GLN A 42 -28.856 13.128 18.574 1.00 0.30 H new ATOM 0 HB2 GLN A 42 -27.757 13.841 16.501 1.00 0.43 H new ATOM 0 HB3 GLN A 42 -26.344 12.869 16.864 1.00 0.43 H new ATOM 0 HG2 GLN A 42 -27.822 10.809 16.834 1.00 0.51 H new ATOM 0 HG3 GLN A 42 -29.161 11.822 16.332 1.00 0.51 H new ATOM 0 HE21 GLN A 42 -29.118 10.067 14.617 1.00 0.73 H new ATOM 0 HE22 GLN A 42 -28.023 10.255 13.244 1.00 0.73 H new ATOM 686 N ASP A 43 -28.464 10.855 19.587 1.00 0.31 N ATOM 687 CA ASP A 43 -28.271 9.634 20.275 1.00 0.36 C ATOM 688 C ASP A 43 -28.935 8.541 19.439 1.00 0.37 C ATOM 689 O ASP A 43 -29.975 8.038 19.793 1.00 0.38 O ATOM 690 CB ASP A 43 -28.849 9.740 21.703 1.00 0.43 C ATOM 691 CG ASP A 43 -28.133 8.841 22.747 1.00 0.97 C ATOM 692 OD1 ASP A 43 -26.962 8.409 22.515 1.00 1.01 O ATOM 693 OD2 ASP A 43 -28.712 8.598 23.808 1.00 1.68 O ATOM 0 H ASP A 43 -29.446 11.081 19.427 1.00 0.31 H new ATOM 0 HA ASP A 43 -27.215 9.392 20.396 1.00 0.36 H new ATOM 0 HB2 ASP A 43 -28.789 10.778 22.031 1.00 0.43 H new ATOM 0 HB3 ASP A 43 -29.906 9.475 21.676 1.00 0.43 H new ATOM 698 N GLY A 44 -28.239 8.211 18.310 1.00 0.43 N ATOM 699 CA GLY A 44 -28.641 7.257 17.307 1.00 0.50 C ATOM 700 C GLY A 44 -29.838 7.704 16.561 1.00 0.60 C ATOM 701 O GLY A 44 -29.805 8.605 15.755 1.00 1.24 O ATOM 0 H GLY A 44 -27.341 8.642 18.092 1.00 0.43 H new ATOM 0 HA2 GLY A 44 -27.819 7.097 16.610 1.00 0.50 H new ATOM 0 HA3 GLY A 44 -28.848 6.298 17.782 1.00 0.50 H new ATOM 705 N GLN A 45 -30.958 7.047 16.893 1.00 0.34 N ATOM 706 CA GLN A 45 -32.286 7.427 16.410 1.00 0.30 C ATOM 707 C GLN A 45 -32.870 8.685 16.971 1.00 0.29 C ATOM 708 O GLN A 45 -33.486 9.476 16.216 1.00 0.32 O ATOM 709 CB GLN A 45 -33.259 6.239 16.624 1.00 0.31 C ATOM 710 CG GLN A 45 -34.211 6.051 15.412 1.00 0.32 C ATOM 711 CD GLN A 45 -33.668 5.299 14.205 1.00 0.76 C ATOM 712 OE1 GLN A 45 -32.636 4.572 14.175 1.00 1.37 O ATOM 713 NE2 GLN A 45 -34.541 5.240 13.200 1.00 1.02 N ATOM 0 H GLN A 45 -30.964 6.233 17.508 1.00 0.34 H new ATOM 0 HA GLN A 45 -32.148 7.659 15.354 1.00 0.30 H new ATOM 0 HB2 GLN A 45 -32.687 5.325 16.783 1.00 0.31 H new ATOM 0 HB3 GLN A 45 -33.847 6.408 17.526 1.00 0.31 H new ATOM 0 HG2 GLN A 45 -35.102 5.529 15.761 1.00 0.32 H new ATOM 0 HG3 GLN A 45 -34.530 7.038 15.078 1.00 0.32 H new ATOM 0 HE21 GLN A 45 -35.377 5.824 13.216 1.00 1.02 H new ATOM 0 HE22 GLN A 45 -34.373 4.611 12.415 1.00 1.02 H new ATOM 722 N ASP A 46 -32.631 8.931 18.258 1.00 0.30 N ATOM 723 CA ASP A 46 -33.006 10.160 18.937 1.00 0.34 C ATOM 724 C ASP A 46 -32.124 11.366 18.592 1.00 0.35 C ATOM 725 O ASP A 46 -30.917 11.257 18.381 1.00 0.49 O ATOM 726 CB ASP A 46 -33.203 9.904 20.444 1.00 0.40 C ATOM 727 CG ASP A 46 -34.501 9.133 20.724 1.00 1.10 C ATOM 728 OD1 ASP A 46 -35.554 9.590 20.236 1.00 1.18 O ATOM 729 OD2 ASP A 46 -34.443 7.993 21.227 1.00 1.85 O ATOM 0 H ASP A 46 -32.160 8.263 18.868 1.00 0.30 H new ATOM 0 HA ASP A 46 -33.975 10.469 18.545 1.00 0.34 H new ATOM 0 HB2 ASP A 46 -32.354 9.340 20.831 1.00 0.40 H new ATOM 0 HB3 ASP A 46 -33.223 10.856 20.975 1.00 0.40 H new ATOM 734 N PHE A 47 -32.727 12.539 18.453 1.00 0.26 N ATOM 735 CA PHE A 47 -32.108 13.733 18.003 1.00 0.26 C ATOM 736 C PHE A 47 -32.574 14.947 18.851 1.00 0.19 C ATOM 737 O PHE A 47 -33.722 14.886 19.253 1.00 0.21 O ATOM 738 CB PHE A 47 -32.565 13.934 16.566 1.00 0.00 C ATOM 739 CG PHE A 47 -32.125 15.232 15.932 1.00 0.00 C ATOM 740 CD1 PHE A 47 -30.825 15.358 15.426 1.00 0.00 C ATOM 741 CD2 PHE A 47 -33.013 16.310 15.852 1.00 0.00 C ATOM 742 CE1 PHE A 47 -30.415 16.561 14.838 1.00 0.00 C ATOM 743 CE2 PHE A 47 -32.605 17.513 15.267 1.00 0.00 C ATOM 744 CZ PHE A 47 -31.305 17.639 14.758 1.00 0.00 C ATOM 0 H PHE A 47 -33.716 12.667 18.669 1.00 0.26 H new ATOM 0 HA PHE A 47 -31.024 13.658 18.088 1.00 0.26 H new ATOM 0 HB2 PHE A 47 -32.191 13.107 15.963 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -33.653 13.883 16.536 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -30.138 14.527 15.489 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -34.015 16.213 16.243 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -29.413 16.657 14.447 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -33.291 18.345 15.207 1.00 0.00 H new ATOM 0 HZ PHE A 47 -30.990 18.567 14.304 1.00 0.00 H new ATOM 754 N THR A 48 -31.680 15.903 19.077 1.00 0.22 N ATOM 755 CA THR A 48 -31.934 17.193 19.693 1.00 0.23 C ATOM 756 C THR A 48 -31.028 18.191 18.972 1.00 0.21 C ATOM 757 O THR A 48 -29.806 18.052 19.041 1.00 0.21 O ATOM 758 CB THR A 48 -31.580 17.135 21.190 1.00 0.25 C ATOM 759 OG1 THR A 48 -32.560 16.391 21.872 1.00 0.27 O ATOM 760 CG2 THR A 48 -31.539 18.510 21.869 1.00 0.29 C ATOM 0 H THR A 48 -30.700 15.788 18.818 1.00 0.22 H new ATOM 0 HA THR A 48 -32.982 17.480 19.613 1.00 0.23 H new ATOM 0 HB THR A 48 -30.587 16.688 21.240 1.00 0.25 H new ATOM 0 HG1 THR A 48 -32.336 16.351 22.825 1.00 0.27 H new ATOM 0 HG21 THR A 48 -31.283 18.389 22.922 1.00 0.29 H new ATOM 0 HG22 THR A 48 -30.789 19.134 21.383 1.00 0.29 H new ATOM 0 HG23 THR A 48 -32.516 18.986 21.786 1.00 0.29 H new ATOM 768 N TRP A 49 -31.571 19.307 18.481 1.00 0.23 N ATOM 769 CA TRP A 49 -30.758 20.520 18.354 1.00 0.24 C ATOM 770 C TRP A 49 -31.297 21.592 19.283 1.00 0.25 C ATOM 771 O TRP A 49 -32.499 21.683 19.555 1.00 0.29 O ATOM 772 CB TRP A 49 -30.544 20.961 16.894 1.00 0.29 C ATOM 773 CG TRP A 49 -31.548 21.748 16.096 1.00 0.26 C ATOM 774 CD1 TRP A 49 -32.282 22.812 16.509 1.00 0.29 C ATOM 775 CD2 TRP A 49 -31.671 21.756 14.640 1.00 0.23 C ATOM 776 NE1 TRP A 49 -32.875 23.426 15.424 1.00 0.29 N ATOM 777 CE2 TRP A 49 -32.458 22.872 14.236 1.00 0.25 C ATOM 778 CE3 TRP A 49 -31.114 20.974 13.611 1.00 0.22 C ATOM 779 CZ2 TRP A 49 -32.658 23.211 12.889 1.00 0.24 C ATOM 780 CZ3 TRP A 49 -31.294 21.306 12.253 1.00 0.21 C ATOM 781 CH2 TRP A 49 -32.066 22.422 11.886 1.00 0.22 C ATOM 0 H TRP A 49 -32.539 19.398 18.173 1.00 0.23 H new ATOM 0 HA TRP A 49 -29.742 20.302 18.682 1.00 0.24 H new ATOM 0 HB2 TRP A 49 -29.623 21.544 16.884 1.00 0.29 H new ATOM 0 HB3 TRP A 49 -30.351 20.051 16.327 1.00 0.29 H new ATOM 0 HD1 TRP A 49 -32.387 23.131 17.535 1.00 0.29 H new ATOM 0 HE1 TRP A 49 -33.540 24.196 15.495 1.00 0.29 H new ATOM 0 HE3 TRP A 49 -30.535 20.099 13.868 1.00 0.22 H new ATOM 0 HZ2 TRP A 49 -33.260 24.068 12.625 1.00 0.24 H new ATOM 0 HZ3 TRP A 49 -30.835 20.698 11.488 1.00 0.21 H new ATOM 0 HH2 TRP A 49 -32.203 22.671 10.844 1.00 0.22 H new ATOM 792 N SER A 50 -30.375 22.371 19.829 1.00 0.23 N ATOM 793 CA SER A 50 -30.648 23.624 20.529 1.00 0.25 C ATOM 794 C SER A 50 -29.971 24.734 19.755 1.00 0.26 C ATOM 795 O SER A 50 -28.793 24.630 19.437 1.00 0.32 O ATOM 796 CB SER A 50 -30.112 23.580 21.956 1.00 0.26 C ATOM 797 OG SER A 50 -30.809 22.576 22.669 1.00 1.22 O ATOM 0 H SER A 50 -29.381 22.143 19.797 1.00 0.23 H new ATOM 0 HA SER A 50 -31.723 23.791 20.589 1.00 0.25 H new ATOM 0 HB2 SER A 50 -29.043 23.368 21.952 1.00 0.26 H new ATOM 0 HB3 SER A 50 -30.243 24.548 22.440 1.00 0.26 H new ATOM 0 HG SER A 50 -30.473 22.535 23.589 1.00 1.22 H new ATOM 803 N GLN A 51 -30.690 25.764 19.344 1.00 0.26 N ATOM 804 CA GLN A 51 -30.152 26.964 18.705 1.00 0.27 C ATOM 805 C GLN A 51 -30.294 28.155 19.638 1.00 0.28 C ATOM 806 O GLN A 51 -31.128 28.173 20.549 1.00 0.31 O ATOM 807 CB GLN A 51 -30.855 27.252 17.381 1.00 0.35 C ATOM 808 CG GLN A 51 -30.675 26.163 16.321 1.00 0.53 C ATOM 809 CD GLN A 51 -31.827 26.202 15.332 1.00 0.69 C ATOM 810 OE1 GLN A 51 -32.986 26.225 15.718 1.00 1.50 O ATOM 811 NE2 GLN A 51 -31.611 25.924 14.075 1.00 0.53 N ATOM 0 H GLN A 51 -31.704 25.794 19.448 1.00 0.26 H new ATOM 0 HA GLN A 51 -29.097 26.790 18.495 1.00 0.27 H new ATOM 0 HB2 GLN A 51 -31.920 27.385 17.570 1.00 0.35 H new ATOM 0 HB3 GLN A 51 -30.481 28.195 16.983 1.00 0.35 H new ATOM 0 HG2 GLN A 51 -29.730 26.308 15.797 1.00 0.53 H new ATOM 0 HG3 GLN A 51 -30.628 25.184 16.798 1.00 0.53 H new ATOM 0 HE21 GLN A 51 -30.657 25.895 13.716 1.00 0.53 H new ATOM 0 HE22 GLN A 51 -32.396 25.735 13.452 1.00 0.53 H new ATOM 820 N HIS A 52 -29.390 29.131 19.494 1.00 0.36 N ATOM 821 CA HIS A 52 -29.418 30.401 20.235 1.00 0.39 C ATOM 822 C HIS A 52 -29.187 31.585 19.301 1.00 0.41 C ATOM 823 O HIS A 52 -28.292 31.558 18.463 1.00 0.45 O ATOM 824 CB HIS A 52 -28.420 30.427 21.410 1.00 0.41 C ATOM 825 CG HIS A 52 -28.667 29.403 22.479 1.00 0.85 C ATOM 826 ND1 HIS A 52 -28.113 28.138 22.580 1.00 1.08 N ATOM 827 CD2 HIS A 52 -29.503 29.578 23.541 1.00 1.97 C ATOM 828 CE1 HIS A 52 -28.627 27.549 23.674 1.00 1.53 C ATOM 829 NE2 HIS A 52 -29.467 28.411 24.276 1.00 2.21 N ATOM 0 H HIS A 52 -28.604 29.061 18.848 1.00 0.36 H new ATOM 0 HA HIS A 52 -30.415 30.487 20.667 1.00 0.39 H new ATOM 0 HB2 HIS A 52 -27.414 30.282 21.015 1.00 0.41 H new ATOM 0 HB3 HIS A 52 -28.444 31.417 21.865 1.00 0.41 H new ATOM 0 HD1 HIS A 52 -27.435 27.726 21.938 1.00 1.08 H new ATOM 0 HD2 HIS A 52 -30.083 30.461 23.764 1.00 1.97 H new ATOM 0 HE1 HIS A 52 -28.403 26.549 24.014 1.00 1.53 H new ATOM 837 N TYR A 53 -29.944 32.655 19.510 1.00 0.42 N ATOM 838 CA TYR A 53 -29.927 33.863 18.688 1.00 0.45 C ATOM 839 C TYR A 53 -29.804 35.122 19.530 1.00 0.57 C ATOM 840 O TYR A 53 -30.221 35.123 20.684 1.00 0.67 O ATOM 841 CB TYR A 53 -31.125 33.913 17.784 1.00 0.00 C ATOM 842 CG TYR A 53 -32.360 34.139 18.622 1.00 0.00 C ATOM 843 CD1 TYR A 53 -32.780 35.441 18.914 1.00 0.00 C ATOM 844 CD2 TYR A 53 -33.086 33.044 19.108 1.00 0.00 C ATOM 845 CE1 TYR A 53 -33.927 35.650 19.691 1.00 0.00 C ATOM 846 CE2 TYR A 53 -34.231 33.253 19.883 1.00 0.00 C ATOM 847 CZ TYR A 53 -34.652 34.557 20.176 1.00 0.00 C ATOM 848 OH TYR A 53 -35.765 34.759 20.930 1.00 0.00 O ATOM 0 H TYR A 53 -30.609 32.710 20.281 1.00 0.42 H new ATOM 0 HA TYR A 53 -29.037 33.820 18.060 1.00 0.45 H new ATOM 0 HB2 TYR A 53 -31.013 34.714 17.054 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -31.214 32.982 17.224 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -32.220 36.285 18.540 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -32.761 32.039 18.884 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -34.251 36.655 19.915 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -34.791 32.409 20.256 1.00 0.00 H new ATOM 0 HH TYR A 53 -36.367 33.991 20.837 1.00 0.00 H new ATOM 883 N HIS A 57 -32.177 34.280 23.413 1.00 0.94 N ATOM 884 CA HIS A 57 -33.286 33.320 23.368 1.00 0.81 C ATOM 885 C HIS A 57 -32.772 31.963 22.876 1.00 0.66 C ATOM 886 O HIS A 57 -32.029 31.885 21.896 1.00 0.63 O ATOM 887 CB HIS A 57 -34.413 33.858 22.463 1.00 0.85 C ATOM 888 CG HIS A 57 -35.787 33.257 22.704 1.00 0.92 C ATOM 889 ND1 HIS A 57 -36.651 32.794 21.726 1.00 0.89 N ATOM 890 CD2 HIS A 57 -36.449 33.170 23.900 1.00 1.08 C ATOM 891 CE1 HIS A 57 -37.813 32.449 22.305 1.00 1.05 C ATOM 892 NE2 HIS A 57 -37.709 32.656 23.630 1.00 1.17 N ATOM 0 HA HIS A 57 -33.697 33.186 24.369 1.00 0.81 H new ATOM 0 HB2 HIS A 57 -34.479 34.938 22.597 1.00 0.85 H new ATOM 0 HB3 HIS A 57 -34.136 33.682 21.424 1.00 0.85 H new ATOM 0 HD2 HIS A 57 -36.063 33.449 24.869 1.00 1.08 H new ATOM 0 HE1 HIS A 57 -38.685 32.069 21.793 1.00 1.05 H new ATOM 0 HE2 HIS A 57 -38.435 32.467 24.321 1.00 1.17 H new ATOM 900 N THR A 58 -33.242 30.896 23.513 1.00 0.61 N ATOM 901 CA THR A 58 -33.096 29.504 23.058 1.00 0.54 C ATOM 902 C THR A 58 -34.247 29.078 22.149 1.00 0.53 C ATOM 903 O THR A 58 -35.390 29.248 22.569 1.00 0.64 O ATOM 904 CB THR A 58 -32.999 28.543 24.263 1.00 0.61 C ATOM 905 OG1 THR A 58 -32.036 28.971 25.198 1.00 0.73 O ATOM 906 CG2 THR A 58 -32.645 27.116 23.864 1.00 0.60 C ATOM 0 H THR A 58 -33.754 30.971 24.392 1.00 0.61 H new ATOM 0 HA THR A 58 -32.173 29.452 22.481 1.00 0.54 H new ATOM 0 HB THR A 58 -33.995 28.555 24.705 1.00 0.61 H new ATOM 0 HG1 THR A 58 -31.200 28.479 25.055 1.00 0.73 H new ATOM 0 HG21 THR A 58 -32.592 26.491 24.756 1.00 0.60 H new ATOM 0 HG22 THR A 58 -33.410 26.726 23.192 1.00 0.60 H new ATOM 0 HG23 THR A 58 -31.679 27.109 23.358 1.00 0.60 H new ATOM 914 N MET A 59 -33.986 28.288 21.101 1.00 0.47 N ATOM 915 CA MET A 59 -35.067 27.495 20.453 1.00 0.53 C ATOM 916 C MET A 59 -34.507 26.045 20.185 1.00 0.45 C ATOM 917 O MET A 59 -33.372 25.960 19.750 1.00 0.52 O ATOM 918 CB MET A 59 -35.548 28.084 19.128 1.00 0.70 C ATOM 919 CG MET A 59 -34.357 28.498 18.159 1.00 0.68 C ATOM 920 SD MET A 59 -34.555 29.686 16.851 1.00 1.13 S ATOM 921 CE MET A 59 -32.967 29.725 15.971 1.00 0.46 C ATOM 0 H MET A 59 -33.063 28.173 20.683 1.00 0.47 H new ATOM 0 HA MET A 59 -35.924 27.496 21.126 1.00 0.53 H new ATOM 0 HB2 MET A 59 -36.183 27.356 18.623 1.00 0.70 H new ATOM 0 HB3 MET A 59 -36.165 28.959 19.329 1.00 0.70 H new ATOM 0 HG2 MET A 59 -33.552 28.866 18.795 1.00 0.68 H new ATOM 0 HG3 MET A 59 -34.000 27.579 17.694 1.00 0.68 H new ATOM 0 HE1 MET A 59 -32.918 30.618 15.348 1.00 0.46 H new ATOM 0 HE2 MET A 59 -32.151 29.741 16.693 1.00 0.46 H new ATOM 0 HE3 MET A 59 -32.878 28.839 15.342 1.00 0.46 H new ATOM 931 N THR A 60 -35.199 25.019 20.654 1.00 0.42 N ATOM 932 CA THR A 60 -34.777 23.619 20.535 1.00 0.40 C ATOM 933 C THR A 60 -35.781 22.813 19.749 1.00 0.38 C ATOM 934 O THR A 60 -36.999 22.987 19.773 1.00 0.49 O ATOM 935 CB THR A 60 -34.483 22.959 21.901 1.00 0.54 C ATOM 936 OG1 THR A 60 -35.694 22.528 22.503 1.00 0.68 O ATOM 937 CG2 THR A 60 -33.812 23.865 22.927 1.00 0.53 C ATOM 0 H THR A 60 -36.089 25.131 21.139 1.00 0.42 H new ATOM 0 HA THR A 60 -33.835 23.628 19.987 1.00 0.40 H new ATOM 0 HB THR A 60 -33.799 22.145 21.659 1.00 0.54 H new ATOM 0 HG1 THR A 60 -35.974 23.181 23.178 1.00 0.68 H new ATOM 0 HG21 THR A 60 -33.648 23.310 23.851 1.00 0.53 H new ATOM 0 HG22 THR A 60 -32.855 24.210 22.537 1.00 0.53 H new ATOM 0 HG23 THR A 60 -34.453 24.724 23.128 1.00 0.53 H new ATOM 945 N ASN A 61 -35.433 21.623 19.271 1.00 0.30 N ATOM 946 CA ASN A 61 -36.377 20.614 18.942 1.00 0.29 C ATOM 947 C ASN A 61 -35.716 19.269 19.312 1.00 0.30 C ATOM 948 O ASN A 61 -34.547 19.089 19.197 1.00 0.52 O ATOM 949 CB ASN A 61 -36.696 20.680 17.441 1.00 0.32 C ATOM 950 CG ASN A 61 -35.494 21.052 16.562 1.00 0.45 C ATOM 951 OD1 ASN A 61 -34.519 20.325 16.248 1.00 0.84 O ATOM 952 ND2 ASN A 61 -35.500 22.302 16.213 1.00 0.47 N ATOM 0 H ASN A 61 -34.465 21.349 19.106 1.00 0.30 H new ATOM 0 HA ASN A 61 -37.317 20.739 19.479 1.00 0.29 H new ATOM 0 HB2 ASN A 61 -37.082 19.713 17.119 1.00 0.32 H new ATOM 0 HB3 ASN A 61 -37.490 21.410 17.281 1.00 0.32 H new ATOM 0 HD21 ASN A 61 -34.716 22.688 15.687 1.00 0.47 H new ATOM 0 HD22 ASN A 61 -36.289 22.898 16.465 1.00 0.47 H new ATOM 959 N LYS A 62 -36.555 18.309 19.718 1.00 0.29 N ATOM 960 CA LYS A 62 -36.157 16.940 20.061 1.00 0.29 C ATOM 961 C LYS A 62 -37.079 15.945 19.367 1.00 0.29 C ATOM 962 O LYS A 62 -38.268 15.939 19.674 1.00 0.39 O ATOM 963 CB LYS A 62 -36.195 16.702 21.585 1.00 0.28 C ATOM 964 CG LYS A 62 -35.301 17.630 22.416 1.00 0.31 C ATOM 965 CD LYS A 62 -36.020 18.834 23.030 1.00 0.43 C ATOM 966 CE LYS A 62 -35.049 19.482 24.022 1.00 0.46 C ATOM 967 NZ LYS A 62 -35.617 20.696 24.649 1.00 0.83 N ATOM 0 H LYS A 62 -37.557 18.468 19.820 1.00 0.29 H new ATOM 0 HA LYS A 62 -35.131 16.796 19.721 1.00 0.29 H new ATOM 0 HB2 LYS A 62 -37.224 16.813 21.928 1.00 0.28 H new ATOM 0 HB3 LYS A 62 -35.903 15.671 21.782 1.00 0.28 H new ATOM 0 HG2 LYS A 62 -34.845 17.049 23.218 1.00 0.31 H new ATOM 0 HG3 LYS A 62 -34.490 17.992 21.784 1.00 0.31 H new ATOM 0 HD2 LYS A 62 -36.311 19.544 22.256 1.00 0.43 H new ATOM 0 HD3 LYS A 62 -36.934 18.520 23.535 1.00 0.43 H new ATOM 0 HE2 LYS A 62 -34.791 18.761 24.798 1.00 0.46 H new ATOM 0 HE3 LYS A 62 -34.124 19.740 23.506 1.00 0.46 H new ATOM 0 HZ1 LYS A 62 -34.994 21.013 25.419 1.00 0.83 H new ATOM 0 HZ2 LYS A 62 -35.698 21.449 23.937 1.00 0.83 H new ATOM 0 HZ3 LYS A 62 -36.559 20.480 25.033 1.00 0.83 H new ATOM 981 N PHE A 63 -36.576 15.166 18.412 1.00 0.27 N ATOM 982 CA PHE A 63 -37.387 14.122 17.786 1.00 0.25 C ATOM 983 C PHE A 63 -36.575 12.835 17.575 1.00 0.22 C ATOM 984 O PHE A 63 -35.405 12.790 17.851 1.00 0.22 O ATOM 985 CB PHE A 63 -38.032 14.617 16.524 1.00 0.00 C ATOM 986 CG PHE A 63 -37.057 14.996 15.435 1.00 0.00 C ATOM 987 CD1 PHE A 63 -36.283 16.155 15.561 1.00 0.00 C ATOM 988 CD2 PHE A 63 -36.929 14.187 14.299 1.00 0.00 C ATOM 989 CE1 PHE A 63 -35.379 16.507 14.552 1.00 0.00 C ATOM 990 CE2 PHE A 63 -36.024 14.540 13.289 1.00 0.00 C ATOM 991 CZ PHE A 63 -35.250 15.699 13.415 1.00 0.00 C ATOM 0 H PHE A 63 -35.622 15.235 18.057 1.00 0.27 H new ATOM 0 HA PHE A 63 -38.198 13.867 18.468 1.00 0.25 H new ATOM 0 HB2 PHE A 63 -38.700 13.844 16.144 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -38.649 15.484 16.761 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -36.383 16.778 16.437 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -37.527 13.293 14.202 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -34.781 17.401 14.650 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -35.924 13.917 12.413 1.00 0.00 H new ATOM 0 HZ PHE A 63 -34.553 15.971 12.636 1.00 0.00 H new ATOM 1001 N THR A 64 -37.288 11.743 17.229 1.00 0.21 N ATOM 1002 CA THR A 64 -36.702 10.415 16.990 1.00 0.19 C ATOM 1003 C THR A 64 -36.719 10.314 15.482 1.00 0.18 C ATOM 1004 O THR A 64 -37.798 10.470 14.892 1.00 0.21 O ATOM 1005 CB THR A 64 -37.358 9.266 17.582 1.00 0.22 C ATOM 1006 OG1 THR A 64 -37.768 9.491 18.979 1.00 0.29 O ATOM 1007 CG2 THR A 64 -36.524 7.982 17.464 1.00 0.21 C ATOM 0 H THR A 64 -38.300 11.763 17.107 1.00 0.21 H new ATOM 0 HA THR A 64 -35.726 10.366 17.473 1.00 0.19 H new ATOM 0 HB THR A 64 -38.266 9.128 16.996 1.00 0.22 H new ATOM 0 HG1 THR A 64 -37.013 9.307 19.575 1.00 0.29 H new ATOM 0 HG21 THR A 64 -37.064 7.154 17.924 1.00 0.21 H new ATOM 0 HG22 THR A 64 -36.346 7.759 16.412 1.00 0.21 H new ATOM 0 HG23 THR A 64 -35.570 8.120 17.972 1.00 0.21 H new ATOM 1015 N VAL A 65 -35.617 10.195 14.752 1.00 0.18 N ATOM 1016 CA VAL A 65 -35.653 10.076 13.286 1.00 0.19 C ATOM 1017 C VAL A 65 -36.440 8.851 12.795 1.00 0.18 C ATOM 1018 O VAL A 65 -36.350 7.767 13.373 1.00 0.25 O ATOM 1019 CB VAL A 65 -34.250 10.233 12.682 1.00 0.28 C ATOM 1020 CG1 VAL A 65 -33.438 8.938 12.711 1.00 0.60 C ATOM 1021 CG2 VAL A 65 -34.328 10.740 11.240 1.00 0.86 C ATOM 0 H VAL A 65 -34.677 10.178 15.148 1.00 0.18 H new ATOM 0 HA VAL A 65 -36.234 10.913 12.899 1.00 0.19 H new ATOM 0 HB VAL A 65 -33.738 10.963 13.308 1.00 0.28 H new ATOM 0 HG11 VAL A 65 -32.457 9.114 12.270 1.00 0.60 H new ATOM 0 HG12 VAL A 65 -33.319 8.606 13.742 1.00 0.60 H new ATOM 0 HG13 VAL A 65 -33.959 8.169 12.141 1.00 0.60 H new ATOM 0 HG21 VAL A 65 -33.321 10.843 10.835 1.00 0.86 H new ATOM 0 HG22 VAL A 65 -34.892 10.030 10.635 1.00 0.86 H new ATOM 0 HG23 VAL A 65 -34.827 11.709 11.221 1.00 0.86 H new ATOM 1031 N GLY A 66 -37.338 9.047 11.826 1.00 0.16 N ATOM 1032 CA GLY A 66 -38.293 8.014 11.396 1.00 0.19 C ATOM 1033 C GLY A 66 -39.594 7.919 12.207 1.00 0.20 C ATOM 1034 O GLY A 66 -40.422 7.065 11.900 1.00 0.26 O ATOM 0 H GLY A 66 -37.426 9.926 11.315 1.00 0.16 H new ATOM 0 HA2 GLY A 66 -38.551 8.198 10.353 1.00 0.19 H new ATOM 0 HA3 GLY A 66 -37.793 7.046 11.435 1.00 0.19 H new ATOM 1038 N LYS A 67 -39.796 8.830 13.175 1.00 0.18 N ATOM 1039 CA LYS A 67 -41.011 8.990 13.999 1.00 0.20 C ATOM 1040 C LYS A 67 -41.629 10.388 13.805 1.00 0.21 C ATOM 1041 O LYS A 67 -41.003 11.280 13.233 1.00 0.41 O ATOM 1042 CB LYS A 67 -40.645 8.680 15.468 1.00 0.35 C ATOM 1043 CG LYS A 67 -41.837 8.254 16.347 1.00 0.36 C ATOM 1044 CD LYS A 67 -41.384 7.675 17.701 1.00 0.65 C ATOM 1045 CE LYS A 67 -40.766 8.746 18.616 1.00 0.84 C ATOM 1046 NZ LYS A 67 -40.036 8.164 19.773 1.00 1.54 N ATOM 0 H LYS A 67 -39.078 9.512 13.418 1.00 0.18 H new ATOM 0 HA LYS A 67 -41.784 8.288 13.686 1.00 0.20 H new ATOM 0 HB2 LYS A 67 -39.897 7.887 15.483 1.00 0.35 H new ATOM 0 HB3 LYS A 67 -40.183 9.563 15.908 1.00 0.35 H new ATOM 0 HG2 LYS A 67 -42.484 9.114 16.520 1.00 0.36 H new ATOM 0 HG3 LYS A 67 -42.430 7.510 15.816 1.00 0.36 H new ATOM 0 HD2 LYS A 67 -42.238 7.220 18.203 1.00 0.65 H new ATOM 0 HD3 LYS A 67 -40.656 6.882 17.529 1.00 0.65 H new ATOM 0 HE2 LYS A 67 -40.082 9.364 18.034 1.00 0.84 H new ATOM 0 HE3 LYS A 67 -41.555 9.403 18.983 1.00 0.84 H new ATOM 0 HZ1 LYS A 67 -40.508 8.443 20.657 1.00 1.54 H new ATOM 0 HZ2 LYS A 67 -40.032 7.127 19.695 1.00 1.54 H new ATOM 0 HZ3 LYS A 67 -39.057 8.514 19.777 1.00 1.54 H new ATOM 1060 N GLU A 68 -42.866 10.569 14.270 1.00 0.20 N ATOM 1061 CA GLU A 68 -43.719 11.634 13.870 1.00 0.23 C ATOM 1062 C GLU A 68 -44.315 12.358 15.125 1.00 0.29 C ATOM 1063 O GLU A 68 -44.281 11.815 16.199 1.00 0.38 O ATOM 1064 CB GLU A 68 -44.753 11.064 12.891 1.00 0.28 C ATOM 1065 CG GLU A 68 -45.732 12.090 12.255 1.00 0.36 C ATOM 1066 CD GLU A 68 -46.881 11.327 11.591 1.00 0.49 C ATOM 1067 OE1 GLU A 68 -47.758 10.690 12.204 1.00 0.62 O ATOM 1068 OE2 GLU A 68 -46.925 11.337 10.312 1.00 0.57 O ATOM 0 H GLU A 68 -43.293 9.947 14.956 1.00 0.20 H new ATOM 0 HA GLU A 68 -43.177 12.418 13.341 1.00 0.23 H new ATOM 0 HB2 GLU A 68 -44.220 10.555 12.088 1.00 0.28 H new ATOM 0 HB3 GLU A 68 -45.340 10.308 13.413 1.00 0.28 H new ATOM 0 HG2 GLU A 68 -46.119 12.766 13.018 1.00 0.36 H new ATOM 0 HG3 GLU A 68 -45.211 12.703 11.520 1.00 0.36 H new ATOM 1075 N SER A 69 -44.769 13.605 14.955 1.00 0.29 N ATOM 1076 CA SER A 69 -45.472 14.452 15.939 1.00 0.34 C ATOM 1077 C SER A 69 -44.652 14.970 17.144 1.00 0.34 C ATOM 1078 O SER A 69 -45.239 15.418 18.130 1.00 0.40 O ATOM 1079 CB SER A 69 -46.794 13.782 16.349 1.00 0.43 C ATOM 1080 OG SER A 69 -47.587 14.692 17.088 1.00 1.30 O ATOM 0 H SER A 69 -44.649 14.088 14.065 1.00 0.29 H new ATOM 0 HA SER A 69 -45.675 15.386 15.414 1.00 0.34 H new ATOM 0 HB2 SER A 69 -47.335 13.452 15.462 1.00 0.43 H new ATOM 0 HB3 SER A 69 -46.591 12.894 16.947 1.00 0.43 H new ATOM 0 HG SER A 69 -47.016 15.200 17.701 1.00 1.30 H new ATOM 1086 N ASN A 70 -43.323 15.015 17.023 1.00 0.32 N ATOM 1087 CA ASN A 70 -42.396 15.517 18.056 1.00 0.38 C ATOM 1088 C ASN A 70 -41.497 16.685 17.572 1.00 0.34 C ATOM 1089 O ASN A 70 -40.629 17.169 18.289 1.00 0.37 O ATOM 1090 CB ASN A 70 -41.595 14.311 18.580 1.00 0.49 C ATOM 1091 CG ASN A 70 -42.447 13.353 19.403 1.00 0.63 C ATOM 1092 OD1 ASN A 70 -42.427 13.369 20.618 1.00 0.98 O ATOM 1093 ND2 ASN A 70 -43.099 12.376 18.812 1.00 0.85 N ATOM 0 H ASN A 70 -42.842 14.695 16.182 1.00 0.32 H new ATOM 0 HA ASN A 70 -42.967 15.966 18.869 1.00 0.38 H new ATOM 0 HB2 ASN A 70 -41.162 13.773 17.736 1.00 0.49 H new ATOM 0 HB3 ASN A 70 -40.765 14.668 19.190 1.00 0.49 H new ATOM 0 HD21 ASN A 70 -43.567 11.663 19.372 1.00 0.85 H new ATOM 0 HD22 ASN A 70 -43.137 12.331 17.794 1.00 0.85 H new ATOM 1100 N ILE A 71 -41.644 17.093 16.312 1.00 0.30 N ATOM 1101 CA ILE A 71 -40.678 17.903 15.556 1.00 0.28 C ATOM 1102 C ILE A 71 -41.145 19.361 15.515 1.00 0.29 C ATOM 1103 O ILE A 71 -42.314 19.574 15.220 1.00 0.30 O ATOM 1104 CB ILE A 71 -40.567 17.328 14.125 1.00 0.24 C ATOM 1105 CG1 ILE A 71 -40.669 15.784 14.007 1.00 0.24 C ATOM 1106 CG2 ILE A 71 -39.239 17.761 13.522 1.00 0.23 C ATOM 1107 CD1 ILE A 71 -42.077 15.309 13.641 1.00 0.24 C ATOM 0 H ILE A 71 -42.472 16.861 15.764 1.00 0.30 H new ATOM 0 HA ILE A 71 -39.700 17.871 16.037 1.00 0.28 H new ATOM 0 HB ILE A 71 -41.431 17.726 13.593 1.00 0.24 H new ATOM 0 HG12 ILE A 71 -39.965 15.435 13.252 1.00 0.24 H new ATOM 0 HG13 ILE A 71 -40.372 15.331 14.953 1.00 0.24 H new ATOM 0 HG21 ILE A 71 -39.150 17.361 12.512 1.00 0.23 H new ATOM 0 HG22 ILE A 71 -39.193 18.849 13.486 1.00 0.23 H new ATOM 0 HG23 ILE A 71 -38.421 17.384 14.135 1.00 0.23 H new ATOM 0 HD11 ILE A 71 -42.088 14.221 13.572 1.00 0.24 H new ATOM 0 HD12 ILE A 71 -42.781 15.631 14.409 1.00 0.24 H new ATOM 0 HD13 ILE A 71 -42.367 15.736 12.681 1.00 0.24 H new ATOM 1119 N GLN A 72 -40.300 20.368 15.765 1.00 0.29 N ATOM 1120 CA GLN A 72 -40.774 21.731 15.885 1.00 0.33 C ATOM 1121 C GLN A 72 -39.730 22.719 15.326 1.00 0.31 C ATOM 1122 O GLN A 72 -38.589 22.305 14.981 1.00 0.29 O ATOM 1123 CB GLN A 72 -41.046 22.141 17.364 1.00 0.38 C ATOM 1124 CG GLN A 72 -39.877 22.265 18.271 1.00 0.46 C ATOM 1125 CD GLN A 72 -40.438 22.493 19.676 1.00 0.95 C ATOM 1126 OE1 GLN A 72 -41.663 22.438 19.846 1.00 1.15 O ATOM 1127 NE2 GLN A 72 -39.567 22.706 20.731 1.00 1.96 N ATOM 0 H GLN A 72 -39.293 20.255 15.886 1.00 0.29 H new ATOM 0 HA GLN A 72 -41.705 21.773 15.320 1.00 0.33 H new ATOM 0 HB2 GLN A 72 -41.568 23.098 17.356 1.00 0.38 H new ATOM 0 HB3 GLN A 72 -41.729 21.409 17.795 1.00 0.38 H new ATOM 0 HG2 GLN A 72 -39.265 21.364 18.240 1.00 0.46 H new ATOM 0 HG3 GLN A 72 -39.238 23.095 17.969 1.00 0.46 H new ATOM 0 HE21 GLN A 72 -38.562 22.747 20.562 1.00 1.96 H new ATOM 0 HE22 GLN A 72 -39.930 22.822 21.677 1.00 1.96 H new ATOM 1136 N THR A 73 -40.219 23.929 15.008 1.00 0.36 N ATOM 1137 CA THR A 73 -39.573 24.940 14.140 1.00 0.38 C ATOM 1138 C THR A 73 -38.428 25.770 14.772 1.00 0.42 C ATOM 1139 O THR A 73 -38.183 25.601 15.966 1.00 0.43 O ATOM 1140 CB THR A 73 -40.605 25.853 13.460 1.00 0.42 C ATOM 1141 OG1 THR A 73 -41.176 26.734 14.400 1.00 0.48 O ATOM 1142 CG2 THR A 73 -41.704 25.089 12.721 1.00 0.40 C ATOM 0 H THR A 73 -41.120 24.249 15.364 1.00 0.36 H new ATOM 0 HA THR A 73 -39.071 24.331 13.389 1.00 0.38 H new ATOM 0 HB THR A 73 -40.059 26.418 12.705 1.00 0.42 H new ATOM 0 HG1 THR A 73 -41.830 27.311 13.953 1.00 0.48 H new ATOM 0 HG21 THR A 73 -42.396 25.797 12.266 1.00 0.40 H new ATOM 0 HG22 THR A 73 -41.257 24.469 11.944 1.00 0.40 H new ATOM 0 HG23 THR A 73 -42.244 24.456 13.425 1.00 0.40 H new ATOM 1150 N MET A 74 -37.810 26.757 14.066 1.00 0.45 N ATOM 1151 CA MET A 74 -37.057 27.783 14.653 1.00 0.51 C ATOM 1152 C MET A 74 -37.803 28.604 15.694 1.00 0.60 C ATOM 1153 O MET A 74 -37.339 29.019 16.763 1.00 0.78 O ATOM 1154 CB MET A 74 -36.511 28.801 13.604 1.00 0.63 C ATOM 1155 CG MET A 74 -35.701 28.199 12.373 1.00 0.69 C ATOM 1156 SD MET A 74 -34.323 27.217 12.938 1.00 1.11 S ATOM 1157 CE MET A 74 -33.663 26.860 11.330 1.00 0.59 C ATOM 0 H MET A 74 -37.853 26.818 13.049 1.00 0.45 H new ATOM 0 HA MET A 74 -36.249 27.235 15.138 1.00 0.51 H new ATOM 0 HB2 MET A 74 -37.354 29.369 13.211 1.00 0.63 H new ATOM 0 HB3 MET A 74 -35.864 29.509 14.122 1.00 0.63 H new ATOM 0 HG2 MET A 74 -36.363 27.586 11.761 1.00 0.69 H new ATOM 0 HG3 MET A 74 -35.340 29.009 11.739 1.00 0.69 H new ATOM 0 HE1 MET A 74 -33.258 25.848 11.319 1.00 0.59 H new ATOM 0 HE2 MET A 74 -34.455 26.942 10.585 1.00 0.59 H new ATOM 0 HE3 MET A 74 -32.870 27.571 11.096 1.00 0.59 H new ATOM 1167 N GLY A 75 -39.105 28.814 15.453 1.00 0.57 N ATOM 1168 CA GLY A 75 -39.991 29.361 16.461 1.00 0.65 C ATOM 1169 C GLY A 75 -40.554 28.460 17.487 1.00 0.64 C ATOM 1170 O GLY A 75 -41.214 28.877 18.440 1.00 0.73 O ATOM 0 H GLY A 75 -39.558 28.609 14.562 1.00 0.57 H new ATOM 0 HA2 GLY A 75 -39.450 30.152 16.980 1.00 0.65 H new ATOM 0 HA3 GLY A 75 -40.826 29.832 15.943 1.00 0.65 H new ATOM 1174 N GLY A 76 -40.281 27.187 17.287 1.00 0.56 N ATOM 1175 CA GLY A 76 -40.833 26.193 18.148 1.00 0.57 C ATOM 1176 C GLY A 76 -42.263 25.845 18.035 1.00 0.58 C ATOM 1177 O GLY A 76 -42.966 25.624 19.005 1.00 0.63 O ATOM 0 H GLY A 76 -39.685 26.831 16.540 1.00 0.56 H new ATOM 0 HA2 GLY A 76 -40.261 25.277 17.998 1.00 0.57 H new ATOM 0 HA3 GLY A 76 -40.655 26.515 19.174 1.00 0.57 H new ATOM 1181 N LYS A 77 -42.728 25.820 16.783 1.00 0.54 N ATOM 1182 CA LYS A 77 -44.118 25.405 16.509 1.00 0.56 C ATOM 1183 C LYS A 77 -44.128 23.869 16.157 1.00 0.49 C ATOM 1184 O LYS A 77 -43.329 23.478 15.296 1.00 0.43 O ATOM 1185 CB LYS A 77 -44.767 26.171 15.326 1.00 0.59 C ATOM 1186 CG LYS A 77 -46.105 25.660 14.925 1.00 0.67 C ATOM 1187 CD LYS A 77 -46.621 26.267 13.621 1.00 0.74 C ATOM 1188 CE LYS A 77 -48.044 25.883 13.229 1.00 1.17 C ATOM 1189 NZ LYS A 77 -48.357 26.529 11.944 1.00 1.76 N ATOM 0 H LYS A 77 -42.184 26.074 15.958 1.00 0.54 H new ATOM 0 HA LYS A 77 -44.697 25.629 17.405 1.00 0.56 H new ATOM 0 HB2 LYS A 77 -44.859 27.223 15.597 1.00 0.59 H new ATOM 0 HB3 LYS A 77 -44.099 26.120 14.466 1.00 0.59 H new ATOM 0 HG2 LYS A 77 -46.055 24.576 14.818 1.00 0.67 H new ATOM 0 HG3 LYS A 77 -46.819 25.869 15.722 1.00 0.67 H new ATOM 0 HD2 LYS A 77 -46.566 27.353 13.701 1.00 0.74 H new ATOM 0 HD3 LYS A 77 -45.950 25.973 12.814 1.00 0.74 H new ATOM 0 HE2 LYS A 77 -48.135 24.800 13.142 1.00 1.17 H new ATOM 0 HE3 LYS A 77 -48.749 26.202 13.997 1.00 1.17 H new ATOM 0 HZ1 LYS A 77 -49.325 26.280 11.657 1.00 1.76 H new ATOM 0 HZ2 LYS A 77 -48.281 27.561 12.047 1.00 1.76 H new ATOM 0 HZ3 LYS A 77 -47.686 26.203 11.219 1.00 1.76 H new ATOM 1203 N THR A 78 -44.856 23.000 16.848 1.00 0.50 N ATOM 1204 CA THR A 78 -44.829 21.553 16.552 1.00 0.45 C ATOM 1205 C THR A 78 -45.485 21.144 15.230 1.00 0.44 C ATOM 1206 O THR A 78 -46.596 21.588 14.939 1.00 0.51 O ATOM 1207 CB THR A 78 -45.294 20.666 17.726 1.00 0.50 C ATOM 1208 OG1 THR A 78 -45.177 21.334 18.963 1.00 0.54 O ATOM 1209 CG2 THR A 78 -44.541 19.341 17.825 1.00 0.45 C ATOM 0 H THR A 78 -45.474 23.260 17.617 1.00 0.50 H new ATOM 0 HA THR A 78 -43.766 21.357 16.413 1.00 0.45 H new ATOM 0 HB THR A 78 -46.340 20.450 17.510 1.00 0.50 H new ATOM 0 HG1 THR A 78 -45.482 20.744 19.684 1.00 0.54 H new ATOM 0 HG21 THR A 78 -44.920 18.770 18.672 1.00 0.45 H new ATOM 0 HG22 THR A 78 -44.687 18.770 16.908 1.00 0.45 H new ATOM 0 HG23 THR A 78 -43.478 19.536 17.966 1.00 0.45 H new ATOM 1217 N PHE A 79 -44.884 20.223 14.472 1.00 0.35 N ATOM 1218 CA PHE A 79 -45.516 19.592 13.308 1.00 0.32 C ATOM 1219 C PHE A 79 -45.503 18.060 13.292 1.00 0.30 C ATOM 1220 O PHE A 79 -44.863 17.405 14.118 1.00 0.32 O ATOM 1221 CB PHE A 79 -45.020 20.228 11.998 1.00 0.29 C ATOM 1222 CG PHE A 79 -43.518 20.233 11.821 1.00 0.26 C ATOM 1223 CD1 PHE A 79 -42.730 21.257 12.382 1.00 0.27 C ATOM 1224 CD2 PHE A 79 -42.911 19.199 11.084 1.00 0.24 C ATOM 1225 CE1 PHE A 79 -41.339 21.239 12.213 1.00 0.26 C ATOM 1226 CE2 PHE A 79 -41.519 19.187 10.905 1.00 0.22 C ATOM 1227 CZ PHE A 79 -40.738 20.207 11.471 1.00 0.23 C ATOM 0 H PHE A 79 -43.936 19.891 14.650 1.00 0.35 H new ATOM 0 HA PHE A 79 -46.580 19.810 13.404 1.00 0.32 H new ATOM 0 HB2 PHE A 79 -45.468 19.695 11.160 1.00 0.29 H new ATOM 0 HB3 PHE A 79 -45.380 21.256 11.951 1.00 0.29 H new ATOM 0 HD1 PHE A 79 -43.197 22.054 12.941 1.00 0.27 H new ATOM 0 HD2 PHE A 79 -43.517 18.414 10.656 1.00 0.24 H new ATOM 0 HE1 PHE A 79 -40.730 22.016 12.652 1.00 0.26 H new ATOM 0 HE2 PHE A 79 -41.051 18.398 10.335 1.00 0.22 H new ATOM 0 HZ PHE A 79 -39.667 20.199 11.335 1.00 0.23 H new ATOM 1237 N LYS A 80 -46.278 17.470 12.376 1.00 0.30 N ATOM 1238 CA LYS A 80 -46.346 16.025 12.134 1.00 0.31 C ATOM 1239 C LYS A 80 -45.798 15.737 10.736 1.00 0.27 C ATOM 1240 O LYS A 80 -46.438 16.101 9.757 1.00 0.27 O ATOM 1241 CB LYS A 80 -47.795 15.518 12.284 1.00 0.37 C ATOM 1242 CG LYS A 80 -48.473 15.920 13.606 1.00 0.76 C ATOM 1243 CD LYS A 80 -49.834 15.222 13.742 1.00 0.51 C ATOM 1244 CE LYS A 80 -50.658 15.770 14.915 1.00 1.43 C ATOM 1245 NZ LYS A 80 -50.084 15.416 16.236 1.00 1.96 N ATOM 0 H LYS A 80 -46.895 18.002 11.763 1.00 0.30 H new ATOM 0 HA LYS A 80 -45.742 15.496 12.871 1.00 0.31 H new ATOM 0 HB2 LYS A 80 -48.389 15.900 11.454 1.00 0.37 H new ATOM 0 HB3 LYS A 80 -47.797 14.431 12.204 1.00 0.37 H new ATOM 0 HG2 LYS A 80 -47.833 15.651 14.447 1.00 0.76 H new ATOM 0 HG3 LYS A 80 -48.606 17.001 13.640 1.00 0.76 H new ATOM 0 HD2 LYS A 80 -50.397 15.346 12.817 1.00 0.51 H new ATOM 0 HD3 LYS A 80 -49.678 14.152 13.879 1.00 0.51 H new ATOM 0 HE2 LYS A 80 -50.724 16.855 14.831 1.00 1.43 H new ATOM 0 HE3 LYS A 80 -51.675 15.383 14.851 1.00 1.43 H new ATOM 0 HZ1 LYS A 80 -50.198 16.217 16.890 1.00 1.96 H new ATOM 0 HZ2 LYS A 80 -50.578 14.584 16.618 1.00 1.96 H new ATOM 0 HZ3 LYS A 80 -49.073 15.198 16.128 1.00 1.96 H new ATOM 1259 N ALA A 81 -44.613 15.147 10.647 1.00 0.25 N ATOM 1260 CA ALA A 81 -44.193 14.336 9.503 1.00 0.21 C ATOM 1261 C ALA A 81 -43.048 13.420 9.934 1.00 0.20 C ATOM 1262 O ALA A 81 -42.597 13.472 11.080 1.00 0.22 O ATOM 1263 CB ALA A 81 -43.758 15.206 8.320 1.00 0.19 C ATOM 0 H ALA A 81 -43.903 15.217 11.376 1.00 0.25 H new ATOM 0 HA ALA A 81 -45.043 13.740 9.171 1.00 0.21 H new ATOM 0 HB1 ALA A 81 -43.454 14.567 7.491 1.00 0.19 H new ATOM 0 HB2 ALA A 81 -44.590 15.836 8.006 1.00 0.19 H new ATOM 0 HB3 ALA A 81 -42.920 15.835 8.620 1.00 0.19 H new ATOM 1269 N THR A 82 -42.509 12.682 8.973 1.00 0.19 N ATOM 1270 CA THR A 82 -41.534 11.619 9.170 1.00 0.18 C ATOM 1271 C THR A 82 -40.185 12.182 8.750 1.00 0.16 C ATOM 1272 O THR A 82 -39.906 12.368 7.558 1.00 0.18 O ATOM 1273 CB THR A 82 -41.913 10.259 8.537 1.00 0.23 C ATOM 1274 OG1 THR A 82 -42.991 9.738 9.255 1.00 0.28 O ATOM 1275 CG2 THR A 82 -40.747 9.349 8.678 1.00 0.24 C ATOM 0 H THR A 82 -42.751 12.814 7.991 1.00 0.19 H new ATOM 0 HA THR A 82 -41.498 11.335 10.222 1.00 0.18 H new ATOM 0 HB THR A 82 -42.179 10.369 7.486 1.00 0.23 H new ATOM 0 HG1 THR A 82 -43.253 8.875 8.872 1.00 0.28 H new ATOM 0 HG21 THR A 82 -40.986 8.380 8.239 1.00 0.24 H new ATOM 0 HG22 THR A 82 -39.887 9.778 8.164 1.00 0.24 H new ATOM 0 HG23 THR A 82 -40.511 9.221 9.734 1.00 0.24 H new ATOM 1283 N VAL A 83 -39.323 12.435 9.704 1.00 0.14 N ATOM 1284 CA VAL A 83 -37.969 12.797 9.341 1.00 0.14 C ATOM 1285 C VAL A 83 -37.177 11.575 8.919 1.00 0.15 C ATOM 1286 O VAL A 83 -37.272 10.544 9.572 1.00 0.18 O ATOM 1287 CB VAL A 83 -37.296 13.577 10.435 1.00 0.14 C ATOM 1288 CG1 VAL A 83 -36.094 14.331 9.848 1.00 0.17 C ATOM 1289 CG2 VAL A 83 -38.299 14.490 11.170 1.00 0.17 C ATOM 0 H VAL A 83 -39.520 12.400 10.704 1.00 0.14 H new ATOM 0 HA VAL A 83 -38.012 13.460 8.477 1.00 0.14 H new ATOM 0 HB VAL A 83 -36.916 12.898 11.198 1.00 0.14 H new ATOM 0 HG11 VAL A 83 -35.601 14.899 10.636 1.00 0.17 H new ATOM 0 HG12 VAL A 83 -35.390 13.617 9.421 1.00 0.17 H new ATOM 0 HG13 VAL A 83 -36.437 15.013 9.070 1.00 0.17 H new ATOM 0 HG21 VAL A 83 -37.782 15.041 11.955 1.00 0.17 H new ATOM 0 HG22 VAL A 83 -38.737 15.193 10.462 1.00 0.17 H new ATOM 0 HG23 VAL A 83 -39.088 13.882 11.613 1.00 0.17 H new ATOM 1299 N GLN A 84 -36.455 11.650 7.819 1.00 0.14 N ATOM 1300 CA GLN A 84 -35.821 10.477 7.179 1.00 0.15 C ATOM 1301 C GLN A 84 -34.313 10.689 7.023 1.00 0.15 C ATOM 1302 O GLN A 84 -33.882 11.834 6.904 1.00 0.16 O ATOM 1303 CB GLN A 84 -36.576 10.084 5.889 1.00 0.17 C ATOM 1304 CG GLN A 84 -36.703 11.187 4.819 1.00 0.19 C ATOM 1305 CD GLN A 84 -38.104 11.330 4.209 1.00 0.24 C ATOM 1306 OE1 GLN A 84 -38.422 10.792 3.168 1.00 0.51 O ATOM 1307 NE2 GLN A 84 -39.102 11.685 4.984 1.00 0.52 N ATOM 0 H GLN A 84 -36.281 12.526 7.327 1.00 0.14 H new ATOM 0 HA GLN A 84 -35.908 9.605 7.828 1.00 0.15 H new ATOM 0 HB2 GLN A 84 -36.070 9.228 5.442 1.00 0.17 H new ATOM 0 HB3 GLN A 84 -37.578 9.755 6.164 1.00 0.17 H new ATOM 0 HG2 GLN A 84 -36.416 12.140 5.263 1.00 0.19 H new ATOM 0 HG3 GLN A 84 -35.992 10.981 4.019 1.00 0.19 H new ATOM 0 HE21 GLN A 84 -38.917 12.143 5.876 1.00 0.52 H new ATOM 0 HE22 GLN A 84 -40.063 11.503 4.694 1.00 0.52 H new ATOM 1316 N MET A 85 -33.513 9.635 7.207 1.00 0.16 N ATOM 1317 CA MET A 85 -32.071 9.686 6.952 1.00 0.17 C ATOM 1318 C MET A 85 -31.775 9.160 5.551 1.00 0.20 C ATOM 1319 O MET A 85 -32.025 7.985 5.298 1.00 0.22 O ATOM 1320 CB MET A 85 -31.269 8.882 7.989 1.00 0.21 C ATOM 1321 CG MET A 85 -31.340 9.506 9.383 1.00 0.21 C ATOM 1322 SD MET A 85 -30.298 8.734 10.655 1.00 0.23 S ATOM 1323 CE MET A 85 -28.635 9.042 10.017 1.00 0.19 C ATOM 0 H MET A 85 -33.844 8.728 7.535 1.00 0.16 H new ATOM 0 HA MET A 85 -31.761 10.728 7.033 1.00 0.17 H new ATOM 0 HB2 MET A 85 -31.650 7.862 8.029 1.00 0.21 H new ATOM 0 HB3 MET A 85 -30.228 8.821 7.673 1.00 0.21 H new ATOM 0 HG2 MET A 85 -31.063 10.557 9.303 1.00 0.21 H new ATOM 0 HG3 MET A 85 -32.376 9.474 9.721 1.00 0.21 H new ATOM 0 HE1 MET A 85 -27.918 9.006 10.837 1.00 0.19 H new ATOM 0 HE2 MET A 85 -28.381 8.280 9.280 1.00 0.19 H new ATOM 0 HE3 MET A 85 -28.601 10.026 9.548 1.00 0.19 H new ATOM 1333 N GLU A 86 -31.014 9.912 4.754 1.00 0.26 N ATOM 1334 CA GLU A 86 -30.515 9.362 3.443 1.00 0.31 C ATOM 1335 C GLU A 86 -29.095 9.813 3.145 1.00 0.31 C ATOM 1336 O GLU A 86 -28.822 10.966 2.927 1.00 0.34 O ATOM 1337 CB GLU A 86 -31.476 9.560 2.231 1.00 0.40 C ATOM 1338 CG GLU A 86 -32.190 10.931 2.110 1.00 0.41 C ATOM 1339 CD GLU A 86 -32.691 11.203 0.673 1.00 0.95 C ATOM 1340 OE1 GLU A 86 -33.807 10.707 0.391 1.00 1.35 O ATOM 1341 OE2 GLU A 86 -32.224 12.041 -0.078 1.00 1.53 O ATOM 0 H GLU A 86 -30.726 10.869 4.960 1.00 0.26 H new ATOM 0 HA GLU A 86 -30.497 8.281 3.584 1.00 0.31 H new ATOM 0 HB2 GLU A 86 -30.906 9.394 1.317 1.00 0.40 H new ATOM 0 HB3 GLU A 86 -32.240 8.784 2.275 1.00 0.40 H new ATOM 0 HG2 GLU A 86 -33.034 10.961 2.799 1.00 0.41 H new ATOM 0 HG3 GLU A 86 -31.505 11.724 2.410 1.00 0.41 H new ATOM 1348 N GLY A 87 -28.156 8.899 3.234 1.00 0.36 N ATOM 1349 CA GLY A 87 -26.730 9.188 3.276 1.00 0.43 C ATOM 1350 C GLY A 87 -26.223 9.774 4.562 1.00 0.50 C ATOM 1351 O GLY A 87 -25.092 10.263 4.654 1.00 1.05 O ATOM 0 H GLY A 87 -28.364 7.902 3.281 1.00 0.36 H new ATOM 0 HA2 GLY A 87 -26.185 8.265 3.079 1.00 0.43 H new ATOM 0 HA3 GLY A 87 -26.493 9.877 2.466 1.00 0.43 H new ATOM 1355 N GLY A 88 -27.051 9.648 5.604 1.00 0.30 N ATOM 1356 CA GLY A 88 -26.796 10.178 6.935 1.00 0.25 C ATOM 1357 C GLY A 88 -27.264 11.619 7.129 1.00 0.24 C ATOM 1358 O GLY A 88 -26.768 12.240 8.053 1.00 0.36 O ATOM 0 H GLY A 88 -27.943 9.158 5.536 1.00 0.30 H new ATOM 0 HA2 GLY A 88 -27.293 9.543 7.669 1.00 0.25 H new ATOM 0 HA3 GLY A 88 -25.726 10.124 7.138 1.00 0.25 H new ATOM 1362 N LYS A 89 -28.193 12.134 6.305 1.00 0.19 N ATOM 1363 CA LYS A 89 -28.555 13.545 6.182 1.00 0.18 C ATOM 1364 C LYS A 89 -30.045 13.608 6.448 1.00 0.15 C ATOM 1365 O LYS A 89 -30.738 12.622 6.098 1.00 0.16 O ATOM 1366 CB LYS A 89 -28.388 14.039 4.813 1.00 0.22 C ATOM 1367 CG LYS A 89 -27.043 13.809 4.173 1.00 0.26 C ATOM 1368 CD LYS A 89 -27.067 14.430 2.698 1.00 0.60 C ATOM 1369 CE LYS A 89 -27.918 13.648 1.642 1.00 1.62 C ATOM 1370 NZ LYS A 89 -27.658 14.103 0.242 1.00 2.70 N ATOM 0 H LYS A 89 -28.736 11.541 5.677 1.00 0.19 H new ATOM 0 HA LYS A 89 -27.932 14.132 6.857 1.00 0.18 H new ATOM 0 HB2 LYS A 89 -29.148 13.571 4.187 1.00 0.22 H new ATOM 0 HB3 LYS A 89 -28.588 15.110 4.810 1.00 0.22 H new ATOM 0 HG2 LYS A 89 -26.257 14.275 4.767 1.00 0.26 H new ATOM 0 HG3 LYS A 89 -26.821 12.743 4.131 1.00 0.26 H new ATOM 0 HD2 LYS A 89 -27.447 15.450 2.760 1.00 0.60 H new ATOM 0 HD3 LYS A 89 -26.041 14.494 2.335 1.00 0.60 H new ATOM 0 HE2 LYS A 89 -27.698 12.583 1.721 1.00 1.62 H new ATOM 0 HE3 LYS A 89 -28.977 13.773 1.870 1.00 1.62 H new ATOM 0 HZ1 LYS A 89 -28.246 13.554 -0.417 1.00 2.70 H new ATOM 0 HZ2 LYS A 89 -27.893 15.113 0.156 1.00 2.70 H new ATOM 0 HZ3 LYS A 89 -26.654 13.960 0.011 1.00 2.70 H new ATOM 1384 N LEU A 90 -30.540 14.524 7.277 1.00 0.16 N ATOM 1385 CA LEU A 90 -31.948 14.471 7.717 1.00 0.15 C ATOM 1386 C LEU A 90 -32.862 15.305 6.808 1.00 0.15 C ATOM 1387 O LEU A 90 -32.490 16.408 6.411 1.00 0.19 O ATOM 1388 CB LEU A 90 -32.092 14.838 9.202 1.00 0.18 C ATOM 1389 CG LEU A 90 -31.880 13.643 10.152 1.00 0.19 C ATOM 1390 CD1 LEU A 90 -30.414 13.258 10.323 1.00 0.23 C ATOM 1391 CD2 LEU A 90 -32.436 13.956 11.541 1.00 0.18 C ATOM 0 H LEU A 90 -30.004 15.304 7.657 1.00 0.16 H new ATOM 0 HA LEU A 90 -32.282 13.438 7.621 1.00 0.15 H new ATOM 0 HB2 LEU A 90 -31.372 15.619 9.447 1.00 0.18 H new ATOM 0 HB3 LEU A 90 -33.085 15.255 9.371 1.00 0.18 H new ATOM 0 HG LEU A 90 -32.407 12.809 9.688 1.00 0.19 H new ATOM 0 HD11 LEU A 90 -30.337 12.410 11.004 1.00 0.23 H new ATOM 0 HD12 LEU A 90 -29.994 12.985 9.355 1.00 0.23 H new ATOM 0 HD13 LEU A 90 -29.861 14.103 10.732 1.00 0.23 H new ATOM 0 HD21 LEU A 90 -32.277 13.101 12.198 1.00 0.18 H new ATOM 0 HD22 LEU A 90 -31.924 14.827 11.950 1.00 0.18 H new ATOM 0 HD23 LEU A 90 -33.504 14.164 11.467 1.00 0.18 H new ATOM 1403 N VAL A 91 -34.071 14.802 6.514 1.00 0.15 N ATOM 1404 CA VAL A 91 -34.981 15.436 5.550 1.00 0.16 C ATOM 1405 C VAL A 91 -36.409 15.323 6.074 1.00 0.16 C ATOM 1406 O VAL A 91 -36.806 14.255 6.545 1.00 0.17 O ATOM 1407 CB VAL A 91 -34.806 14.833 4.120 1.00 0.18 C ATOM 1408 CG1 VAL A 91 -33.966 13.549 4.009 1.00 0.23 C ATOM 1409 CG2 VAL A 91 -36.099 14.648 3.312 1.00 0.23 C ATOM 0 H VAL A 91 -34.443 13.950 6.935 1.00 0.15 H new ATOM 0 HA VAL A 91 -34.738 16.494 5.450 1.00 0.16 H new ATOM 0 HB VAL A 91 -34.228 15.640 3.670 1.00 0.18 H new ATOM 0 HG11 VAL A 91 -33.921 13.233 2.967 1.00 0.23 H new ATOM 0 HG12 VAL A 91 -32.957 13.742 4.374 1.00 0.23 H new ATOM 0 HG13 VAL A 91 -34.424 12.762 4.608 1.00 0.23 H new ATOM 0 HG21 VAL A 91 -35.861 14.223 2.337 1.00 0.23 H new ATOM 0 HG22 VAL A 91 -36.769 13.975 3.847 1.00 0.23 H new ATOM 0 HG23 VAL A 91 -36.586 15.614 3.178 1.00 0.23 H new ATOM 1419 N VAL A 92 -37.245 16.330 5.842 1.00 0.16 N ATOM 1420 CA VAL A 92 -38.707 16.152 5.888 1.00 0.17 C ATOM 1421 C VAL A 92 -39.258 16.480 4.512 1.00 0.17 C ATOM 1422 O VAL A 92 -38.661 17.246 3.757 1.00 0.18 O ATOM 1423 CB VAL A 92 -39.385 17.029 6.955 1.00 0.18 C ATOM 1424 CG1 VAL A 92 -39.209 16.363 8.320 1.00 0.56 C ATOM 1425 CG2 VAL A 92 -38.888 18.478 6.982 1.00 0.65 C ATOM 0 H VAL A 92 -36.944 17.279 5.620 1.00 0.16 H new ATOM 0 HA VAL A 92 -38.922 15.120 6.166 1.00 0.17 H new ATOM 0 HB VAL A 92 -40.441 17.101 6.695 1.00 0.18 H new ATOM 0 HG11 VAL A 92 -39.685 16.974 9.087 1.00 0.56 H new ATOM 0 HG12 VAL A 92 -39.670 15.375 8.305 1.00 0.56 H new ATOM 0 HG13 VAL A 92 -38.147 16.264 8.542 1.00 0.56 H new ATOM 0 HG21 VAL A 92 -39.415 19.029 7.761 1.00 0.65 H new ATOM 0 HG22 VAL A 92 -37.818 18.492 7.189 1.00 0.65 H new ATOM 0 HG23 VAL A 92 -39.077 18.946 6.016 1.00 0.65 H new ATOM 1435 N ASN A 93 -40.421 15.909 4.224 1.00 0.20 N ATOM 1436 CA ASN A 93 -41.210 16.152 3.026 1.00 0.21 C ATOM 1437 C ASN A 93 -42.632 16.572 3.430 1.00 0.22 C ATOM 1438 O ASN A 93 -43.213 16.003 4.354 1.00 0.34 O ATOM 1439 CB ASN A 93 -41.168 14.893 2.133 1.00 0.30 C ATOM 1440 CG ASN A 93 -39.769 14.585 1.619 1.00 1.07 C ATOM 1441 OD1 ASN A 93 -39.098 15.438 1.056 1.00 1.89 O ATOM 1442 ND2 ASN A 93 -39.302 13.358 1.701 1.00 1.06 N ATOM 0 H ASN A 93 -40.859 15.233 4.849 1.00 0.20 H new ATOM 0 HA ASN A 93 -40.798 16.972 2.438 1.00 0.21 H new ATOM 0 HB2 ASN A 93 -41.539 14.039 2.699 1.00 0.30 H new ATOM 0 HB3 ASN A 93 -41.840 15.031 1.286 1.00 0.30 H new ATOM 0 HD21 ASN A 93 -38.393 13.130 1.298 1.00 1.06 H new ATOM 0 HD22 ASN A 93 -39.849 12.634 2.167 1.00 1.06 H new ATOM 1449 N PHE A 94 -43.169 17.578 2.745 1.00 0.17 N ATOM 1450 CA PHE A 94 -44.458 18.169 2.935 1.00 0.19 C ATOM 1451 C PHE A 94 -44.926 18.594 1.512 1.00 0.22 C ATOM 1452 O PHE A 94 -44.139 18.801 0.635 1.00 0.26 O ATOM 1453 CB PHE A 94 -44.450 19.312 3.880 1.00 0.00 C ATOM 1454 CG PHE A 94 -44.169 18.968 5.322 1.00 0.00 C ATOM 1455 CD1 PHE A 94 -45.212 18.555 6.159 1.00 0.00 C ATOM 1456 CD2 PHE A 94 -42.866 19.065 5.824 1.00 0.00 C ATOM 1457 CE1 PHE A 94 -44.950 18.236 7.498 1.00 0.00 C ATOM 1458 CE2 PHE A 94 -42.604 18.749 7.162 1.00 0.00 C ATOM 1459 CZ PHE A 94 -43.648 18.333 8.000 1.00 0.00 C ATOM 0 H PHE A 94 -42.658 18.026 1.984 1.00 0.17 H new ATOM 0 HA PHE A 94 -45.142 17.457 3.397 1.00 0.19 H new ATOM 0 HB2 PHE A 94 -43.702 20.031 3.545 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -45.418 19.810 3.827 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -46.218 18.482 5.773 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -42.062 19.384 5.178 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -45.754 17.915 8.143 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -41.598 18.826 7.549 1.00 0.00 H new ATOM 0 HZ PHE A 94 -43.447 18.088 9.032 1.00 0.00 H new ATOM 1469 N PRO A 95 -46.183 18.922 1.269 1.00 0.25 N ATOM 1470 CA PRO A 95 -46.677 19.718 0.175 1.00 0.29 C ATOM 1471 C PRO A 95 -46.080 21.060 0.026 1.00 0.30 C ATOM 1472 O PRO A 95 -45.759 21.486 -1.067 1.00 0.46 O ATOM 1473 CB PRO A 95 -48.161 20.003 0.547 1.00 0.38 C ATOM 1474 CG PRO A 95 -48.544 18.718 1.381 1.00 0.44 C ATOM 1475 CD PRO A 95 -47.285 18.403 2.077 1.00 0.32 C ATOM 0 HA PRO A 95 -46.466 19.167 -0.742 1.00 0.29 H new ATOM 0 HB2 PRO A 95 -48.266 20.916 1.133 1.00 0.38 H new ATOM 0 HB3 PRO A 95 -48.788 20.117 -0.337 1.00 0.38 H new ATOM 0 HG2 PRO A 95 -49.356 18.915 2.081 1.00 0.44 H new ATOM 0 HG3 PRO A 95 -48.869 17.899 0.739 1.00 0.44 H new ATOM 0 HD2 PRO A 95 -47.275 18.853 3.070 1.00 0.32 H new ATOM 0 HD3 PRO A 95 -47.184 17.326 2.214 1.00 0.32 H new ATOM 1483 N ASN A 96 -45.961 21.820 1.119 1.00 0.33 N ATOM 1484 CA ASN A 96 -45.364 23.153 1.051 1.00 0.45 C ATOM 1485 C ASN A 96 -43.868 23.119 1.378 1.00 0.50 C ATOM 1486 O ASN A 96 -43.208 24.138 1.185 1.00 0.90 O ATOM 1487 CB ASN A 96 -46.142 24.129 1.955 1.00 0.63 C ATOM 1488 CG ASN A 96 -45.870 25.583 1.584 1.00 0.86 C ATOM 1489 OD1 ASN A 96 -45.680 25.931 0.433 1.00 1.89 O ATOM 1490 ND2 ASN A 96 -46.105 26.506 2.486 1.00 0.77 N ATOM 0 H ASN A 96 -46.267 21.538 2.050 1.00 0.33 H new ATOM 0 HA ASN A 96 -45.441 23.517 0.026 1.00 0.45 H new ATOM 0 HB2 ASN A 96 -47.210 23.927 1.874 1.00 0.63 H new ATOM 0 HB3 ASN A 96 -45.864 23.961 2.995 1.00 0.63 H new ATOM 0 HD21 ASN A 96 -46.125 27.489 2.216 1.00 0.77 H new ATOM 0 HD22 ASN A 96 -46.267 26.240 3.457 1.00 0.77 H new ATOM 1497 N TYR A 97 -43.322 22.008 1.911 1.00 0.26 N ATOM 1498 CA TYR A 97 -41.925 22.051 2.368 1.00 0.23 C ATOM 1499 C TYR A 97 -41.110 20.791 2.061 1.00 0.20 C ATOM 1500 O TYR A 97 -41.612 19.678 1.968 1.00 0.22 O ATOM 1501 CB TYR A 97 -41.895 22.420 3.862 1.00 0.24 C ATOM 1502 CG TYR A 97 -40.513 22.769 4.364 1.00 0.22 C ATOM 1503 CD1 TYR A 97 -39.865 23.861 3.768 1.00 0.19 C ATOM 1504 CD2 TYR A 97 -39.877 22.053 5.393 1.00 0.26 C ATOM 1505 CE1 TYR A 97 -38.610 24.282 4.223 1.00 0.19 C ATOM 1506 CE2 TYR A 97 -38.606 22.466 5.845 1.00 0.27 C ATOM 1507 CZ TYR A 97 -37.979 23.605 5.276 1.00 0.23 C ATOM 1508 OH TYR A 97 -36.811 24.131 5.732 1.00 0.26 O ATOM 0 H TYR A 97 -43.800 21.115 2.031 1.00 0.26 H new ATOM 0 HA TYR A 97 -41.422 22.824 1.788 1.00 0.23 H new ATOM 0 HB2 TYR A 97 -42.561 23.266 4.034 1.00 0.24 H new ATOM 0 HB3 TYR A 97 -42.285 21.584 4.443 1.00 0.24 H new ATOM 0 HD1 TYR A 97 -40.339 24.382 2.950 1.00 0.19 H new ATOM 0 HD2 TYR A 97 -40.358 21.193 5.834 1.00 0.26 H new ATOM 0 HE1 TYR A 97 -38.127 25.130 3.762 1.00 0.19 H new ATOM 0 HE2 TYR A 97 -38.108 21.913 6.628 1.00 0.27 H new ATOM 0 HH TYR A 97 -36.363 23.480 6.311 1.00 0.26 H new ATOM 1518 N HIS A 98 -39.800 20.981 2.012 1.00 0.18 N ATOM 1519 CA HIS A 98 -38.769 19.924 1.891 1.00 0.18 C ATOM 1520 C HIS A 98 -37.476 20.505 2.419 1.00 0.19 C ATOM 1521 O HIS A 98 -37.226 21.686 2.225 1.00 0.18 O ATOM 1522 CB HIS A 98 -38.496 19.451 0.402 1.00 0.21 C ATOM 1523 CG HIS A 98 -37.257 18.621 0.174 1.00 0.25 C ATOM 1524 ND1 HIS A 98 -37.216 17.293 0.349 1.00 0.31 N ATOM 1525 CD2 HIS A 98 -35.976 18.976 -0.067 1.00 0.27 C ATOM 1526 CE1 HIS A 98 -35.992 16.844 0.241 1.00 0.36 C ATOM 1527 NE2 HIS A 98 -35.236 17.852 -0.080 1.00 0.34 N ATOM 0 H HIS A 98 -39.393 21.915 2.057 1.00 0.18 H new ATOM 0 HA HIS A 98 -39.129 19.056 2.443 1.00 0.18 H new ATOM 0 HB2 HIS A 98 -39.358 18.876 0.063 1.00 0.21 H new ATOM 0 HB3 HIS A 98 -38.434 20.336 -0.231 1.00 0.21 H new ATOM 0 HD1 HIS A 98 -38.031 16.710 0.541 1.00 0.31 H new ATOM 0 HD2 HIS A 98 -35.611 19.981 -0.221 1.00 0.27 H new ATOM 0 HE1 HIS A 98 -35.669 15.824 0.391 1.00 0.36 H new ATOM 1535 N GLN A 99 -36.604 19.683 2.998 1.00 0.22 N ATOM 1536 CA GLN A 99 -35.211 20.163 3.106 1.00 0.29 C ATOM 1537 C GLN A 99 -34.256 19.008 3.299 1.00 0.20 C ATOM 1538 O GLN A 99 -34.705 17.899 3.477 1.00 0.26 O ATOM 1539 CB GLN A 99 -35.025 21.260 4.204 1.00 0.55 C ATOM 1540 CG GLN A 99 -35.136 20.726 5.635 1.00 0.55 C ATOM 1541 CD GLN A 99 -34.362 21.676 6.527 1.00 0.64 C ATOM 1542 OE1 GLN A 99 -34.747 22.838 6.655 1.00 1.48 O ATOM 1543 NE2 GLN A 99 -33.300 21.188 7.201 1.00 0.42 N ATOM 0 H GLN A 99 -36.801 18.756 3.374 1.00 0.22 H new ATOM 0 HA GLN A 99 -34.971 20.647 2.160 1.00 0.29 H new ATOM 0 HB2 GLN A 99 -34.049 21.728 4.075 1.00 0.55 H new ATOM 0 HB3 GLN A 99 -35.774 22.038 4.057 1.00 0.55 H new ATOM 0 HG2 GLN A 99 -36.179 20.670 5.945 1.00 0.55 H new ATOM 0 HG3 GLN A 99 -34.729 19.717 5.702 1.00 0.55 H new ATOM 0 HE21 GLN A 99 -33.013 20.219 7.067 1.00 0.42 H new ATOM 0 HE22 GLN A 99 -32.785 21.788 7.845 1.00 0.42 H new ATOM 1552 N THR A 100 -32.957 19.269 3.433 1.00 0.22 N ATOM 1553 CA THR A 100 -31.900 18.256 3.618 1.00 0.21 C ATOM 1554 C THR A 100 -30.753 18.924 4.395 1.00 0.24 C ATOM 1555 O THR A 100 -30.477 20.103 4.204 1.00 0.40 O ATOM 1556 CB THR A 100 -31.378 17.753 2.253 1.00 0.22 C ATOM 1557 OG1 THR A 100 -31.794 18.555 1.162 1.00 0.26 O ATOM 1558 CG2 THR A 100 -31.928 16.360 1.949 1.00 0.21 C ATOM 0 H THR A 100 -32.591 20.221 3.416 1.00 0.22 H new ATOM 0 HA THR A 100 -32.296 17.398 4.161 1.00 0.21 H new ATOM 0 HB THR A 100 -30.292 17.775 2.347 1.00 0.22 H new ATOM 0 HG1 THR A 100 -31.431 18.188 0.329 1.00 0.26 H new ATOM 0 HG21 THR A 100 -31.550 16.022 0.984 1.00 0.21 H new ATOM 0 HG22 THR A 100 -31.610 15.666 2.727 1.00 0.21 H new ATOM 0 HG23 THR A 100 -33.017 16.397 1.919 1.00 0.21 H new ATOM 1566 N SER A 101 -30.078 18.169 5.267 1.00 0.21 N ATOM 1567 CA SER A 101 -29.224 18.622 6.356 1.00 0.27 C ATOM 1568 C SER A 101 -28.061 17.617 6.471 1.00 0.27 C ATOM 1569 O SER A 101 -28.258 16.390 6.659 1.00 0.46 O ATOM 1570 CB SER A 101 -30.061 18.726 7.658 1.00 0.42 C ATOM 1571 OG SER A 101 -30.357 20.068 8.073 1.00 1.24 O ATOM 0 H SER A 101 -30.121 17.151 5.222 1.00 0.21 H new ATOM 0 HA SER A 101 -28.813 19.614 6.172 1.00 0.27 H new ATOM 0 HB2 SER A 101 -30.999 18.189 7.515 1.00 0.42 H new ATOM 0 HB3 SER A 101 -29.524 18.222 8.461 1.00 0.42 H new ATOM 0 HG SER A 101 -30.887 20.046 8.897 1.00 1.24 H new ATOM 1577 N GLU A 102 -26.803 18.157 6.339 1.00 0.22 N ATOM 1578 CA GLU A 102 -25.657 17.290 6.173 1.00 0.27 C ATOM 1579 C GLU A 102 -24.311 17.815 6.705 1.00 0.20 C ATOM 1580 O GLU A 102 -24.183 18.998 6.970 1.00 0.20 O ATOM 1581 CB GLU A 102 -25.492 16.877 4.734 1.00 0.43 C ATOM 1582 CG GLU A 102 -24.964 17.919 3.783 1.00 0.81 C ATOM 1583 CD GLU A 102 -25.094 17.481 2.344 1.00 1.25 C ATOM 1584 OE1 GLU A 102 -24.467 16.471 1.897 1.00 1.67 O ATOM 1585 OE2 GLU A 102 -25.648 18.283 1.555 1.00 1.55 O ATOM 0 H GLU A 102 -26.594 19.155 6.348 1.00 0.22 H new ATOM 0 HA GLU A 102 -25.902 16.438 6.807 1.00 0.27 H new ATOM 0 HB2 GLU A 102 -24.822 16.018 4.702 1.00 0.43 H new ATOM 0 HB3 GLU A 102 -26.460 16.540 4.364 1.00 0.43 H new ATOM 0 HG2 GLU A 102 -25.507 18.853 3.929 1.00 0.81 H new ATOM 0 HG3 GLU A 102 -23.917 18.120 4.009 1.00 0.81 H new ATOM 1592 N ILE A 103 -23.275 16.984 6.817 1.00 0.19 N ATOM 1593 CA ILE A 103 -21.919 17.450 7.144 1.00 0.21 C ATOM 1594 C ILE A 103 -21.085 17.245 5.892 1.00 0.26 C ATOM 1595 O ILE A 103 -21.052 16.122 5.386 1.00 0.28 O ATOM 1596 CB ILE A 103 -21.389 16.727 8.409 1.00 0.23 C ATOM 1597 CG1 ILE A 103 -20.055 17.324 8.916 1.00 0.22 C ATOM 1598 CG2 ILE A 103 -21.335 15.189 8.326 1.00 0.27 C ATOM 1599 CD1 ILE A 103 -18.756 16.799 8.293 1.00 0.21 C ATOM 0 H ILE A 103 -23.346 15.975 6.686 1.00 0.19 H new ATOM 0 HA ILE A 103 -21.883 18.506 7.410 1.00 0.21 H new ATOM 0 HB ILE A 103 -22.156 16.928 9.157 1.00 0.23 H new ATOM 0 HG12 ILE A 103 -20.090 18.402 8.760 1.00 0.22 H new ATOM 0 HG13 ILE A 103 -20.001 17.159 9.992 1.00 0.22 H new ATOM 0 HG21 ILE A 103 -20.950 14.787 9.263 1.00 0.27 H new ATOM 0 HG22 ILE A 103 -22.337 14.799 8.149 1.00 0.27 H new ATOM 0 HG23 ILE A 103 -20.680 14.892 7.507 1.00 0.27 H new ATOM 0 HD11 ILE A 103 -17.904 17.307 8.745 1.00 0.21 H new ATOM 0 HD12 ILE A 103 -18.675 15.727 8.471 1.00 0.21 H new ATOM 0 HD13 ILE A 103 -18.764 16.989 7.220 1.00 0.21 H new ATOM 1611 N VAL A 104 -20.398 18.285 5.396 1.00 0.32 N ATOM 1612 CA VAL A 104 -19.472 18.103 4.310 1.00 0.41 C ATOM 1613 C VAL A 104 -18.063 18.481 4.764 1.00 0.48 C ATOM 1614 O VAL A 104 -17.799 19.604 5.186 1.00 0.47 O ATOM 1615 CB VAL A 104 -19.735 19.066 3.112 1.00 0.47 C ATOM 1616 CG1 VAL A 104 -18.723 18.766 2.065 1.00 0.60 C ATOM 1617 CG2 VAL A 104 -21.176 18.822 2.530 1.00 0.45 C ATOM 0 H VAL A 104 -20.476 19.243 5.737 1.00 0.32 H new ATOM 0 HA VAL A 104 -19.588 17.061 4.012 1.00 0.41 H new ATOM 0 HB VAL A 104 -19.664 20.104 3.438 1.00 0.47 H new ATOM 0 HG11 VAL A 104 -18.878 19.424 1.210 1.00 0.60 H new ATOM 0 HG12 VAL A 104 -17.723 18.926 2.469 1.00 0.60 H new ATOM 0 HG13 VAL A 104 -18.824 17.728 1.748 1.00 0.60 H new ATOM 0 HG21 VAL A 104 -21.350 19.499 1.694 1.00 0.45 H new ATOM 0 HG22 VAL A 104 -21.260 17.791 2.186 1.00 0.45 H new ATOM 0 HG23 VAL A 104 -21.918 19.006 3.307 1.00 0.45 H new ATOM 1627 N GLY A 105 -17.108 17.505 4.722 1.00 0.56 N ATOM 1628 CA GLY A 105 -15.732 17.811 5.153 1.00 0.63 C ATOM 1629 C GLY A 105 -15.628 17.884 6.680 1.00 0.59 C ATOM 1630 O GLY A 105 -15.639 16.864 7.365 1.00 0.68 O ATOM 0 H GLY A 105 -17.264 16.547 4.408 1.00 0.56 H new ATOM 0 HA2 GLY A 105 -15.053 17.046 4.777 1.00 0.63 H new ATOM 0 HA3 GLY A 105 -15.416 18.760 4.719 1.00 0.63 H new ATOM 1634 N ASP A 106 -15.456 19.095 7.174 1.00 0.52 N ATOM 1635 CA ASP A 106 -15.689 19.429 8.559 1.00 0.50 C ATOM 1636 C ASP A 106 -16.730 20.457 8.774 1.00 0.40 C ATOM 1637 O ASP A 106 -17.120 20.829 9.886 1.00 0.44 O ATOM 1638 CB ASP A 106 -14.460 20.061 9.161 1.00 0.58 C ATOM 1639 CG ASP A 106 -13.327 19.112 9.128 1.00 1.53 C ATOM 1640 OD1 ASP A 106 -13.330 18.026 9.784 1.00 2.11 O ATOM 1641 OD2 ASP A 106 -12.319 19.412 8.399 1.00 2.30 O ATOM 0 H ASP A 106 -15.145 19.886 6.611 1.00 0.52 H new ATOM 0 HA ASP A 106 -15.982 18.479 9.005 1.00 0.50 H new ATOM 0 HB2 ASP A 106 -14.202 20.966 8.611 1.00 0.58 H new ATOM 0 HB3 ASP A 106 -14.663 20.360 10.189 1.00 0.58 H new ATOM 1646 N LYS A 107 -17.302 20.926 7.664 1.00 0.32 N ATOM 1647 CA LYS A 107 -18.268 22.033 7.680 1.00 0.25 C ATOM 1648 C LYS A 107 -19.666 21.515 7.488 1.00 0.23 C ATOM 1649 O LYS A 107 -19.982 20.451 6.955 1.00 0.30 O ATOM 1650 CB LYS A 107 -17.996 23.012 6.537 1.00 0.28 C ATOM 1651 CG LYS A 107 -16.673 23.870 6.735 1.00 0.47 C ATOM 1652 CD LYS A 107 -16.466 24.865 5.633 1.00 1.21 C ATOM 1653 CE LYS A 107 -15.202 25.747 5.651 1.00 1.65 C ATOM 1654 NZ LYS A 107 -15.082 26.811 6.650 1.00 2.27 N ATOM 0 H LYS A 107 -17.113 20.554 6.733 1.00 0.32 H new ATOM 0 HA LYS A 107 -18.165 22.531 8.644 1.00 0.25 H new ATOM 0 HB2 LYS A 107 -17.921 22.455 5.603 1.00 0.28 H new ATOM 0 HB3 LYS A 107 -18.846 23.688 6.438 1.00 0.28 H new ATOM 0 HG2 LYS A 107 -16.723 24.394 7.689 1.00 0.47 H new ATOM 0 HG3 LYS A 107 -15.814 23.201 6.783 1.00 0.47 H new ATOM 0 HD2 LYS A 107 -16.472 24.318 4.690 1.00 1.21 H new ATOM 0 HD3 LYS A 107 -17.330 25.529 5.622 1.00 1.21 H new ATOM 0 HE2 LYS A 107 -14.344 25.086 5.772 1.00 1.65 H new ATOM 0 HE3 LYS A 107 -15.112 26.209 4.668 1.00 1.65 H new ATOM 0 HZ1 LYS A 107 -14.176 27.306 6.523 1.00 2.27 H new ATOM 0 HZ2 LYS A 107 -15.864 27.486 6.534 1.00 2.27 H new ATOM 0 HZ3 LYS A 107 -15.120 26.398 7.604 1.00 2.27 H new ATOM 1668 N LEU A 108 -20.628 22.258 8.031 1.00 0.20 N ATOM 1669 CA LEU A 108 -22.028 21.836 8.197 1.00 0.19 C ATOM 1670 C LEU A 108 -22.917 22.607 7.211 1.00 0.20 C ATOM 1671 O LEU A 108 -22.767 23.828 7.120 1.00 0.24 O ATOM 1672 CB LEU A 108 -22.410 22.062 9.674 1.00 0.22 C ATOM 1673 CG LEU A 108 -21.912 20.999 10.679 1.00 0.29 C ATOM 1674 CD1 LEU A 108 -22.475 19.606 10.419 1.00 0.57 C ATOM 1675 CD2 LEU A 108 -20.390 20.859 10.751 1.00 0.60 C ATOM 0 H LEU A 108 -20.455 23.201 8.380 1.00 0.20 H new ATOM 0 HA LEU A 108 -22.169 20.780 7.968 1.00 0.19 H new ATOM 0 HB2 LEU A 108 -22.023 23.033 9.983 1.00 0.22 H new ATOM 0 HB3 LEU A 108 -23.497 22.115 9.742 1.00 0.22 H new ATOM 0 HG LEU A 108 -22.284 21.388 11.627 1.00 0.29 H new ATOM 0 HD11 LEU A 108 -22.083 18.911 11.162 1.00 0.57 H new ATOM 0 HD12 LEU A 108 -23.563 19.635 10.487 1.00 0.57 H new ATOM 0 HD13 LEU A 108 -22.182 19.275 9.423 1.00 0.57 H new ATOM 0 HD21 LEU A 108 -20.129 20.092 11.480 1.00 0.60 H new ATOM 0 HD22 LEU A 108 -20.004 20.575 9.772 1.00 0.60 H new ATOM 0 HD23 LEU A 108 -19.951 21.810 11.052 1.00 0.60 H new ATOM 1687 N VAL A 109 -23.708 21.901 6.385 1.00 0.20 N ATOM 1688 CA VAL A 109 -24.208 22.413 5.118 1.00 0.22 C ATOM 1689 C VAL A 109 -25.681 22.023 4.967 1.00 0.22 C ATOM 1690 O VAL A 109 -26.021 20.800 5.040 1.00 0.29 O ATOM 1691 CB VAL A 109 -23.455 21.921 3.964 1.00 0.26 C ATOM 1692 CG1 VAL A 109 -23.696 22.819 2.720 1.00 0.80 C ATOM 1693 CG2 VAL A 109 -21.974 21.951 4.306 1.00 0.87 C ATOM 0 H VAL A 109 -24.016 20.950 6.589 1.00 0.20 H new ATOM 0 HA VAL A 109 -24.089 23.496 5.137 1.00 0.22 H new ATOM 0 HB VAL A 109 -23.785 20.908 3.733 1.00 0.26 H new ATOM 0 HG11 VAL A 109 -23.125 22.432 1.876 1.00 0.80 H new ATOM 0 HG12 VAL A 109 -24.757 22.819 2.471 1.00 0.80 H new ATOM 0 HG13 VAL A 109 -23.375 23.837 2.939 1.00 0.80 H new ATOM 0 HG21 VAL A 109 -21.397 21.587 3.456 1.00 0.87 H new ATOM 0 HG22 VAL A 109 -21.675 22.973 4.537 1.00 0.87 H new ATOM 0 HG23 VAL A 109 -21.787 21.314 5.171 1.00 0.87 H new ATOM 1703 N GLU A 110 -26.573 22.970 4.728 1.00 0.22 N ATOM 1704 CA GLU A 110 -28.008 22.684 4.700 1.00 0.25 C ATOM 1705 C GLU A 110 -28.658 23.295 3.484 1.00 0.28 C ATOM 1706 O GLU A 110 -28.410 24.459 3.178 1.00 0.52 O ATOM 1707 CB GLU A 110 -28.612 23.165 6.012 1.00 0.38 C ATOM 1708 CG GLU A 110 -30.128 22.993 6.204 1.00 0.52 C ATOM 1709 CD GLU A 110 -30.561 23.384 7.628 1.00 1.43 C ATOM 1710 OE1 GLU A 110 -29.712 23.886 8.400 1.00 2.07 O ATOM 1711 OE2 GLU A 110 -31.776 23.419 7.919 1.00 2.06 O ATOM 0 H GLU A 110 -26.334 23.946 4.550 1.00 0.22 H new ATOM 0 HA GLU A 110 -28.187 21.612 4.613 1.00 0.25 H new ATOM 0 HB2 GLU A 110 -28.109 22.642 6.825 1.00 0.38 H new ATOM 0 HB3 GLU A 110 -28.378 24.224 6.121 1.00 0.38 H new ATOM 0 HG2 GLU A 110 -30.660 23.608 5.478 1.00 0.52 H new ATOM 0 HG3 GLU A 110 -30.406 21.957 6.009 1.00 0.52 H new ATOM 1718 N VAL A 111 -29.527 22.525 2.835 1.00 0.23 N ATOM 1719 CA VAL A 111 -30.216 22.975 1.608 1.00 0.21 C ATOM 1720 C VAL A 111 -31.712 22.687 1.661 1.00 0.20 C ATOM 1721 O VAL A 111 -32.139 21.600 2.052 1.00 0.24 O ATOM 1722 CB VAL A 111 -29.508 22.482 0.331 1.00 0.24 C ATOM 1723 CG1 VAL A 111 -29.675 20.979 0.082 1.00 0.27 C ATOM 1724 CG2 VAL A 111 -30.009 23.236 -0.908 1.00 0.25 C ATOM 0 H VAL A 111 -29.778 21.582 3.132 1.00 0.23 H new ATOM 0 HA VAL A 111 -30.142 24.061 1.559 1.00 0.21 H new ATOM 0 HB VAL A 111 -28.450 22.682 0.498 1.00 0.24 H new ATOM 0 HG11 VAL A 111 -29.151 20.701 -0.833 1.00 0.27 H new ATOM 0 HG12 VAL A 111 -29.258 20.423 0.922 1.00 0.27 H new ATOM 0 HG13 VAL A 111 -30.734 20.743 -0.020 1.00 0.27 H new ATOM 0 HG21 VAL A 111 -29.491 22.866 -1.793 1.00 0.25 H new ATOM 0 HG22 VAL A 111 -31.081 23.077 -1.022 1.00 0.25 H new ATOM 0 HG23 VAL A 111 -29.811 24.301 -0.790 1.00 0.25 H new ATOM 1734 N SER A 112 -32.548 23.698 1.461 1.00 0.19 N ATOM 1735 CA SER A 112 -33.964 23.688 1.849 1.00 0.20 C ATOM 1736 C SER A 112 -34.831 24.224 0.718 1.00 0.17 C ATOM 1737 O SER A 112 -34.363 24.977 -0.126 1.00 0.17 O ATOM 1738 CB SER A 112 -34.185 24.473 3.154 1.00 0.27 C ATOM 1739 OG SER A 112 -33.313 24.045 4.184 1.00 0.87 O ATOM 0 H SER A 112 -32.260 24.569 1.015 1.00 0.19 H new ATOM 0 HA SER A 112 -34.262 22.657 2.038 1.00 0.20 H new ATOM 0 HB2 SER A 112 -34.032 25.536 2.968 1.00 0.27 H new ATOM 0 HB3 SER A 112 -35.218 24.352 3.480 1.00 0.27 H new ATOM 0 HG SER A 112 -33.839 23.753 4.958 1.00 0.87 H new ATOM 1745 N THR A 113 -36.110 23.863 0.686 1.00 0.17 N ATOM 1746 CA THR A 113 -37.072 24.124 -0.385 1.00 0.15 C ATOM 1747 C THR A 113 -38.426 24.445 0.195 1.00 0.13 C ATOM 1748 O THR A 113 -38.941 23.614 0.955 1.00 0.14 O ATOM 1749 CB THR A 113 -37.222 23.016 -1.380 1.00 0.19 C ATOM 1750 OG1 THR A 113 -36.018 22.875 -2.123 1.00 0.26 O ATOM 1751 CG2 THR A 113 -38.333 23.202 -2.345 1.00 0.17 C ATOM 0 H THR A 113 -36.532 23.346 1.457 1.00 0.17 H new ATOM 0 HA THR A 113 -36.661 24.974 -0.930 1.00 0.15 H new ATOM 0 HB THR A 113 -37.451 22.128 -0.791 1.00 0.19 H new ATOM 0 HG1 THR A 113 -36.118 22.148 -2.773 1.00 0.26 H new ATOM 0 HG21 THR A 113 -38.368 22.353 -3.028 1.00 0.17 H new ATOM 0 HG22 THR A 113 -39.277 23.272 -1.804 1.00 0.17 H new ATOM 0 HG23 THR A 113 -38.172 24.118 -2.913 1.00 0.17 H new ATOM 1759 N ILE A 114 -39.008 25.624 -0.059 1.00 0.12 N ATOM 1760 CA ILE A 114 -40.421 25.934 0.266 1.00 0.12 C ATOM 1761 C ILE A 114 -41.112 26.355 -1.008 1.00 0.14 C ATOM 1762 O ILE A 114 -40.631 27.240 -1.702 1.00 0.15 O ATOM 1763 CB ILE A 114 -40.676 27.106 1.248 1.00 0.14 C ATOM 1764 CG1 ILE A 114 -39.648 27.279 2.356 1.00 0.17 C ATOM 1765 CG2 ILE A 114 -42.098 27.065 1.846 1.00 0.16 C ATOM 1766 CD1 ILE A 114 -39.511 28.763 2.668 1.00 0.27 C ATOM 0 H ILE A 114 -38.514 26.401 -0.499 1.00 0.12 H new ATOM 0 HA ILE A 114 -40.786 25.023 0.740 1.00 0.12 H new ATOM 0 HB ILE A 114 -40.569 27.986 0.614 1.00 0.14 H new ATOM 0 HG12 ILE A 114 -39.957 26.733 3.247 1.00 0.17 H new ATOM 0 HG13 ILE A 114 -38.687 26.868 2.047 1.00 0.17 H new ATOM 0 HG21 ILE A 114 -42.230 27.905 2.528 1.00 0.16 H new ATOM 0 HG22 ILE A 114 -42.832 27.130 1.043 1.00 0.16 H new ATOM 0 HG23 ILE A 114 -42.237 26.131 2.390 1.00 0.16 H new ATOM 0 HD11 ILE A 114 -38.777 28.902 3.461 1.00 0.27 H new ATOM 0 HD12 ILE A 114 -39.184 29.294 1.774 1.00 0.27 H new ATOM 0 HD13 ILE A 114 -40.474 29.157 2.992 1.00 0.27 H new ATOM 1778 N GLY A 115 -42.282 25.805 -1.267 1.00 0.16 N ATOM 1779 CA GLY A 115 -43.171 26.248 -2.328 1.00 0.19 C ATOM 1780 C GLY A 115 -42.430 26.149 -3.687 1.00 0.21 C ATOM 1781 O GLY A 115 -42.709 26.884 -4.602 1.00 0.29 O ATOM 0 H GLY A 115 -42.652 25.018 -0.733 1.00 0.16 H new ATOM 0 HA2 GLY A 115 -44.071 25.634 -2.345 1.00 0.19 H new ATOM 0 HA3 GLY A 115 -43.489 27.275 -2.147 1.00 0.19 H new ATOM 1785 N GLY A 116 -41.523 25.191 -3.763 1.00 0.17 N ATOM 1786 CA GLY A 116 -40.544 25.102 -4.880 1.00 0.19 C ATOM 1787 C GLY A 116 -39.432 26.053 -4.996 1.00 0.18 C ATOM 1788 O GLY A 116 -38.836 26.149 -6.059 1.00 0.21 O ATOM 0 H GLY A 116 -41.428 24.450 -3.069 1.00 0.17 H new ATOM 0 HA2 GLY A 116 -40.106 24.104 -4.841 1.00 0.19 H new ATOM 0 HA3 GLY A 116 -41.113 25.164 -5.807 1.00 0.19 H new ATOM 1792 N VAL A 117 -39.115 26.870 -3.982 1.00 0.15 N ATOM 1793 CA VAL A 117 -38.015 27.867 -3.986 1.00 0.15 C ATOM 1794 C VAL A 117 -36.948 27.659 -2.903 1.00 0.14 C ATOM 1795 O VAL A 117 -37.259 27.171 -1.818 1.00 0.17 O ATOM 1796 CB VAL A 117 -38.534 29.320 -4.093 1.00 0.14 C ATOM 1797 CG1 VAL A 117 -38.791 29.995 -2.739 1.00 0.14 C ATOM 1798 CG2 VAL A 117 -37.539 30.204 -4.859 1.00 0.16 C ATOM 0 H VAL A 117 -39.630 26.861 -3.102 1.00 0.15 H new ATOM 0 HA VAL A 117 -37.465 27.676 -4.908 1.00 0.15 H new ATOM 0 HB VAL A 117 -39.484 29.231 -4.620 1.00 0.14 H new ATOM 0 HG11 VAL A 117 -39.153 31.010 -2.901 1.00 0.14 H new ATOM 0 HG12 VAL A 117 -39.539 29.427 -2.186 1.00 0.14 H new ATOM 0 HG13 VAL A 117 -37.864 30.027 -2.167 1.00 0.14 H new ATOM 0 HG21 VAL A 117 -37.928 31.221 -4.920 1.00 0.16 H new ATOM 0 HG22 VAL A 117 -36.582 30.212 -4.337 1.00 0.16 H new ATOM 0 HG23 VAL A 117 -37.400 29.808 -5.865 1.00 0.16 H new ATOM 1808 N THR A 118 -35.672 27.880 -3.251 1.00 0.13 N ATOM 1809 CA THR A 118 -34.543 27.233 -2.584 1.00 0.14 C ATOM 1810 C THR A 118 -33.868 28.161 -1.551 1.00 0.18 C ATOM 1811 O THR A 118 -33.851 29.385 -1.734 1.00 0.26 O ATOM 1812 CB THR A 118 -33.545 26.800 -3.612 1.00 0.20 C ATOM 1813 OG1 THR A 118 -34.134 25.860 -4.512 1.00 0.26 O ATOM 1814 CG2 THR A 118 -32.298 26.067 -2.935 1.00 0.27 C ATOM 0 H THR A 118 -35.398 28.513 -4.003 1.00 0.13 H new ATOM 0 HA THR A 118 -34.924 26.368 -2.041 1.00 0.14 H new ATOM 0 HB THR A 118 -33.221 27.700 -4.135 1.00 0.20 H new ATOM 0 HG1 THR A 118 -33.471 25.587 -5.180 1.00 0.26 H new ATOM 0 HG21 THR A 118 -31.591 25.764 -3.707 1.00 0.27 H new ATOM 0 HG22 THR A 118 -31.808 26.750 -2.241 1.00 0.27 H new ATOM 0 HG23 THR A 118 -32.644 25.186 -2.394 1.00 0.27 H new ATOM 1822 N TYR A 119 -33.346 27.509 -0.487 1.00 0.18 N ATOM 1823 CA TYR A 119 -32.501 28.098 0.544 1.00 0.24 C ATOM 1824 C TYR A 119 -31.293 27.251 0.795 1.00 0.23 C ATOM 1825 O TYR A 119 -31.281 26.058 0.740 1.00 0.29 O ATOM 1826 CB TYR A 119 -33.360 28.300 1.768 1.00 0.00 C ATOM 1827 CG TYR A 119 -32.530 28.989 2.824 1.00 0.00 C ATOM 1828 CD1 TYR A 119 -32.361 30.379 2.787 1.00 0.00 C ATOM 1829 CD2 TYR A 119 -31.928 28.236 3.841 1.00 0.00 C ATOM 1830 CE1 TYR A 119 -31.590 31.016 3.767 1.00 0.00 C ATOM 1831 CE2 TYR A 119 -31.157 28.875 4.820 1.00 0.00 C ATOM 1832 CZ TYR A 119 -30.989 30.265 4.784 1.00 0.00 C ATOM 1833 OH TYR A 119 -30.241 30.884 5.735 1.00 0.00 O ATOM 0 H TYR A 119 -33.517 26.516 -0.329 1.00 0.18 H new ATOM 0 HA TYR A 119 -32.106 29.064 0.230 1.00 0.24 H new ATOM 0 HB2 TYR A 119 -34.236 28.901 1.522 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -33.725 27.342 2.138 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -32.825 30.959 2.003 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -32.058 27.164 3.870 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -31.459 32.088 3.738 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -30.692 28.295 5.603 1.00 0.00 H new ATOM 0 HH TYR A 119 -29.898 30.218 6.366 1.00 0.00 H new ATOM 1843 N GLU A 120 -30.152 27.862 1.187 1.00 0.33 N ATOM 1844 CA GLU A 120 -28.957 27.115 1.489 1.00 0.38 C ATOM 1845 C GLU A 120 -28.181 27.841 2.582 1.00 0.55 C ATOM 1846 O GLU A 120 -28.150 29.077 2.575 1.00 0.78 O ATOM 1847 CB GLU A 120 -28.154 26.872 0.245 1.00 0.46 C ATOM 1848 CG GLU A 120 -26.910 25.951 0.522 1.00 0.57 C ATOM 1849 CD GLU A 120 -26.103 25.678 -0.769 1.00 0.68 C ATOM 1850 OE1 GLU A 120 -26.133 26.522 -1.663 1.00 0.88 O ATOM 1851 OE2 GLU A 120 -25.520 24.596 -0.919 1.00 0.73 O ATOM 0 H GLU A 120 -30.056 28.872 1.295 1.00 0.33 H new ATOM 0 HA GLU A 120 -29.212 26.127 1.871 1.00 0.38 H new ATOM 0 HB2 GLU A 120 -28.787 26.409 -0.512 1.00 0.46 H new ATOM 0 HB3 GLU A 120 -27.817 27.825 -0.162 1.00 0.46 H new ATOM 0 HG2 GLU A 120 -26.264 26.424 1.262 1.00 0.57 H new ATOM 0 HG3 GLU A 120 -27.245 25.006 0.949 1.00 0.57 H new ATOM 1858 N ARG A 121 -27.413 27.100 3.433 1.00 0.54 N ATOM 1859 CA ARG A 121 -26.858 27.569 4.661 1.00 0.74 C ATOM 1860 C ARG A 121 -25.613 26.853 4.908 1.00 0.44 C ATOM 1861 O ARG A 121 -25.420 25.715 4.477 1.00 0.31 O ATOM 1862 CB ARG A 121 -27.962 27.260 5.710 1.00 1.17 C ATOM 1863 CG ARG A 121 -27.631 27.568 7.113 1.00 2.28 C ATOM 1864 CD ARG A 121 -28.626 27.022 8.111 1.00 3.33 C ATOM 1865 NE ARG A 121 -29.918 27.754 8.063 1.00 4.09 N ATOM 1866 CZ ARG A 121 -31.041 27.217 8.572 1.00 5.25 C ATOM 1867 NH1 ARG A 121 -31.072 26.062 9.172 1.00 5.79 N ATOM 1868 NH2 ARG A 121 -32.197 27.914 8.488 1.00 6.09 N ATOM 0 H ARG A 121 -27.176 26.127 3.241 1.00 0.54 H new ATOM 0 HA ARG A 121 -26.603 28.629 4.678 1.00 0.74 H new ATOM 0 HB2 ARG A 121 -28.858 27.818 5.439 1.00 1.17 H new ATOM 0 HB3 ARG A 121 -28.213 26.201 5.642 1.00 1.17 H new ATOM 0 HG2 ARG A 121 -26.644 27.164 7.340 1.00 2.28 H new ATOM 0 HG3 ARG A 121 -27.568 28.650 7.232 1.00 2.28 H new ATOM 0 HD2 ARG A 121 -28.800 25.965 7.909 1.00 3.33 H new ATOM 0 HD3 ARG A 121 -28.207 27.090 9.115 1.00 3.33 H new ATOM 0 HE ARG A 121 -29.954 28.680 7.637 1.00 4.09 H new ATOM 0 HH11 ARG A 121 -30.216 25.517 9.274 1.00 5.79 H new ATOM 0 HH12 ARG A 121 -31.953 25.702 9.540 1.00 5.79 H new ATOM 0 HH21 ARG A 121 -32.208 28.832 8.044 1.00 6.09 H new ATOM 0 HH22 ARG A 121 -33.058 27.522 8.869 1.00 6.09 H new ATOM 1882 N VAL A 122 -24.677 27.520 5.594 1.00 0.52 N ATOM 1883 CA VAL A 122 -23.299 27.044 5.835 1.00 0.38 C ATOM 1884 C VAL A 122 -22.805 27.394 7.241 1.00 0.34 C ATOM 1885 O VAL A 122 -23.093 28.472 7.768 1.00 0.42 O ATOM 1886 CB VAL A 122 -22.303 27.545 4.759 1.00 0.44 C ATOM 1887 CG1 VAL A 122 -20.927 26.870 4.887 1.00 0.86 C ATOM 1888 CG2 VAL A 122 -22.795 27.323 3.322 1.00 0.89 C ATOM 0 H VAL A 122 -24.857 28.433 6.011 1.00 0.52 H new ATOM 0 HA VAL A 122 -23.340 25.957 5.759 1.00 0.38 H new ATOM 0 HB VAL A 122 -22.222 28.616 4.946 1.00 0.44 H new ATOM 0 HG11 VAL A 122 -20.261 27.251 4.113 1.00 0.86 H new ATOM 0 HG12 VAL A 122 -20.505 27.088 5.868 1.00 0.86 H new ATOM 0 HG13 VAL A 122 -21.038 25.792 4.771 1.00 0.86 H new ATOM 0 HG21 VAL A 122 -22.049 27.697 2.620 1.00 0.89 H new ATOM 0 HG22 VAL A 122 -22.952 26.258 3.152 1.00 0.89 H new ATOM 0 HG23 VAL A 122 -23.734 27.857 3.172 1.00 0.89 H new ATOM 1898 N SER A 123 -22.050 26.482 7.864 1.00 0.27 N ATOM 1899 CA SER A 123 -21.582 26.617 9.218 1.00 0.28 C ATOM 1900 C SER A 123 -20.271 25.876 9.466 1.00 0.27 C ATOM 1901 O SER A 123 -19.889 24.929 8.771 1.00 0.36 O ATOM 1902 CB SER A 123 -22.718 26.149 10.110 1.00 0.31 C ATOM 1903 OG SER A 123 -22.360 26.244 11.457 1.00 1.13 O ATOM 0 H SER A 123 -21.749 25.616 7.417 1.00 0.27 H new ATOM 0 HA SER A 123 -21.331 27.654 9.441 1.00 0.28 H new ATOM 0 HB2 SER A 123 -23.607 26.751 9.922 1.00 0.31 H new ATOM 0 HB3 SER A 123 -22.975 25.118 9.869 1.00 0.31 H new ATOM 0 HG SER A 123 -21.651 26.913 11.561 1.00 1.13 H new ATOM 1909 N LYS A 124 -19.516 26.388 10.431 1.00 0.26 N ATOM 1910 CA LYS A 124 -18.189 25.923 10.888 1.00 0.28 C ATOM 1911 C LYS A 124 -18.241 25.380 12.334 1.00 0.25 C ATOM 1912 O LYS A 124 -18.845 26.024 13.190 1.00 0.28 O ATOM 1913 CB LYS A 124 -17.208 27.119 10.752 1.00 0.36 C ATOM 1914 CG LYS A 124 -17.553 28.370 11.607 1.00 0.44 C ATOM 1915 CD LYS A 124 -17.088 29.698 10.973 1.00 0.83 C ATOM 1916 CE LYS A 124 -17.642 30.956 11.675 1.00 1.29 C ATOM 1917 NZ LYS A 124 -16.976 31.291 12.964 1.00 1.76 N ATOM 0 H LYS A 124 -19.829 27.201 10.962 1.00 0.26 H new ATOM 0 HA LYS A 124 -17.848 25.089 10.275 1.00 0.28 H new ATOM 0 HB2 LYS A 124 -16.209 26.779 11.024 1.00 0.36 H new ATOM 0 HB3 LYS A 124 -17.169 27.417 9.704 1.00 0.36 H new ATOM 0 HG2 LYS A 124 -18.631 28.408 11.761 1.00 0.44 H new ATOM 0 HG3 LYS A 124 -17.094 28.266 12.590 1.00 0.44 H new ATOM 0 HD2 LYS A 124 -15.999 29.735 10.990 1.00 0.83 H new ATOM 0 HD3 LYS A 124 -17.392 29.715 9.926 1.00 0.83 H new ATOM 0 HE2 LYS A 124 -17.544 31.806 10.999 1.00 1.29 H new ATOM 0 HE3 LYS A 124 -18.707 30.815 11.858 1.00 1.29 H new ATOM 0 HZ1 LYS A 124 -17.220 32.264 13.238 1.00 1.76 H new ATOM 0 HZ2 LYS A 124 -17.297 30.632 13.702 1.00 1.76 H new ATOM 0 HZ3 LYS A 124 -15.945 31.211 12.853 1.00 1.76 H new ATOM 1931 N ARG A 125 -17.584 24.248 12.646 1.00 0.23 N ATOM 1932 CA ARG A 125 -17.609 23.609 13.993 1.00 0.21 C ATOM 1933 C ARG A 125 -16.409 24.002 14.882 1.00 0.23 C ATOM 1934 O ARG A 125 -15.309 24.161 14.368 1.00 0.26 O ATOM 1935 CB ARG A 125 -17.791 22.081 13.865 1.00 0.26 C ATOM 1936 CG ARG A 125 -16.512 21.293 13.526 1.00 0.40 C ATOM 1937 CD ARG A 125 -16.816 19.802 13.311 1.00 0.65 C ATOM 1938 NE ARG A 125 -15.567 19.010 13.289 1.00 1.02 N ATOM 1939 CZ ARG A 125 -15.168 18.150 12.371 1.00 1.53 C ATOM 1940 NH1 ARG A 125 -15.928 17.740 11.402 1.00 2.06 N ATOM 1941 NH2 ARG A 125 -13.940 17.734 12.358 1.00 2.00 N ATOM 0 H ARG A 125 -17.013 23.739 11.971 1.00 0.23 H new ATOM 0 HA ARG A 125 -18.478 24.003 14.521 1.00 0.21 H new ATOM 0 HB2 ARG A 125 -18.195 21.700 14.803 1.00 0.26 H new ATOM 0 HB3 ARG A 125 -18.535 21.883 13.093 1.00 0.26 H new ATOM 0 HG2 ARG A 125 -16.055 21.707 12.627 1.00 0.40 H new ATOM 0 HG3 ARG A 125 -15.788 21.406 14.333 1.00 0.40 H new ATOM 0 HD2 ARG A 125 -17.467 19.440 14.107 1.00 0.65 H new ATOM 0 HD3 ARG A 125 -17.354 19.667 12.373 1.00 0.65 H new ATOM 0 HE ARG A 125 -14.937 19.145 14.080 1.00 1.02 H new ATOM 0 HH11 ARG A 125 -16.885 18.084 11.324 1.00 2.06 H new ATOM 0 HH12 ARG A 125 -15.568 17.074 10.719 1.00 2.06 H new ATOM 0 HH21 ARG A 125 -13.280 18.071 13.058 1.00 2.00 H new ATOM 0 HH22 ARG A 125 -13.634 17.069 11.647 1.00 2.00 H new ATOM 1955 N LEU A 126 -16.629 24.072 16.196 1.00 0.25 N ATOM 1956 CA LEU A 126 -15.605 24.383 17.208 1.00 0.28 C ATOM 1957 C LEU A 126 -15.910 23.724 18.573 1.00 0.31 C ATOM 1958 O LEU A 126 -15.821 24.326 19.638 1.00 0.41 O ATOM 1959 CB LEU A 126 -15.267 25.895 17.264 1.00 0.30 C ATOM 1960 CG LEU A 126 -16.364 26.976 17.169 1.00 0.29 C ATOM 1961 CD1 LEU A 126 -16.953 27.140 15.766 1.00 0.28 C ATOM 1962 CD2 LEU A 126 -17.512 26.781 18.157 1.00 0.30 C ATOM 0 H LEU A 126 -17.550 23.910 16.603 1.00 0.25 H new ATOM 0 HA LEU A 126 -14.673 23.916 16.888 1.00 0.28 H new ATOM 0 HB2 LEU A 126 -14.736 26.065 18.201 1.00 0.30 H new ATOM 0 HB3 LEU A 126 -14.560 26.091 16.457 1.00 0.30 H new ATOM 0 HG LEU A 126 -15.826 27.887 17.432 1.00 0.29 H new ATOM 0 HD11 LEU A 126 -17.717 27.917 15.781 1.00 0.28 H new ATOM 0 HD12 LEU A 126 -16.163 27.421 15.070 1.00 0.28 H new ATOM 0 HD13 LEU A 126 -17.400 26.198 15.447 1.00 0.28 H new ATOM 0 HD21 LEU A 126 -18.242 27.580 18.029 1.00 0.30 H new ATOM 0 HD22 LEU A 126 -17.991 25.819 17.973 1.00 0.30 H new ATOM 0 HD23 LEU A 126 -17.124 26.805 19.175 1.00 0.30 H new ATOM 1974 N ALA A 127 -16.363 22.473 18.518 1.00 0.40 N ATOM 1975 CA ALA A 127 -16.487 21.553 19.650 1.00 0.44 C ATOM 1976 C ALA A 127 -15.106 21.074 20.120 1.00 0.71 C ATOM 1977 O ALA A 127 -14.363 20.490 19.328 1.00 1.34 O ATOM 1978 CB ALA A 127 -17.386 20.381 19.225 1.00 0.44 C ATOM 1979 OXT ALA A 127 -14.732 21.266 21.277 1.00 30.00 O ATOM 0 H ALA A 127 -16.669 22.052 17.641 1.00 0.40 H new ATOM 0 HA ALA A 127 -16.943 22.062 20.499 1.00 0.44 H new ATOM 0 HB1 ALA A 127 -17.491 19.683 20.056 1.00 0.44 H new ATOM 0 HB2 ALA A 127 -18.368 20.760 18.943 1.00 0.44 H new ATOM 0 HB3 ALA A 127 -16.937 19.868 18.375 1.00 0.44 H new