USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 773 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 58 ASN :FLIP amide:sc= 0 F(o=-1.4,f=0.087) USER MOD Set 1.2: A 61 GLN : amide:sc= 0.0869 K(o=0.087,f=-2!) USER MOD Set 2.1: A 52 MET CE :methyl -144:sc= -0.0961 (180deg=-2.23!) USER MOD Set 2.2: A 56 GLN : amide:sc= 0 X(o=-0.096,f=-0.28) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -126:sc= 0.0411 (180deg=-0.0715) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl -165:sc= -0.0589 (180deg=-0.341) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0.0358 X(o=0.036,f=-0.22) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.169 USER MOD Single : A 29 LYS NZ :NH3+ 155:sc= -1.61! (180deg=-3.13!) USER MOD Single : A 32 HIS : no HD1:sc=-0.00298 X(o=-0.003,f=-0.3) USER MOD Single : A 39 LYS NZ :NH3+ -171:sc= -0.0066 (180deg=-0.121) USER MOD Single : A 42 ASN : amide:sc= -0.107 X(o=-0.11,f=0) USER MOD Single : A 49 ASN : amide:sc= 1.01 K(o=1,f=-7.7!) USER MOD Single : A 51 MET CE :methyl -171:sc= -0.0155 (180deg=-0.171) USER MOD Single : A 53 SER OG : rot 64:sc= 1.12 USER MOD Single : A 54 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00376) USER MOD Single : A 73 LYS NZ :NH3+ -140:sc= 0.00924 (180deg=-0.973) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 81 CYS SG : rot 180:sc= 0.0269 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.0629 K(o=-0.063,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.662 8.997 -3.795 1.00 41.13 N ATOM 2 CA MET A 1 16.245 9.053 -2.422 1.00 43.15 C ATOM 3 C MET A 1 17.476 9.992 -2.374 1.00 31.02 C ATOM 4 O MET A 1 18.022 10.362 -3.418 1.00 41.45 O ATOM 5 CB MET A 1 16.626 7.627 -1.947 1.00 61.54 C ATOM 6 CG MET A 1 15.444 6.650 -1.880 1.00 35.45 C ATOM 7 SD MET A 1 14.120 7.242 -0.801 1.00 64.44 S ATOM 8 CE MET A 1 12.927 5.900 -0.900 1.00 4.11 C ATOM 0 H1 MET A 1 14.649 9.229 -3.752 1.00 41.13 H new ATOM 0 H2 MET A 1 16.149 9.683 -4.407 1.00 41.13 H new ATOM 0 H3 MET A 1 15.781 8.040 -4.184 1.00 41.13 H new ATOM 0 HA MET A 1 15.492 9.460 -1.747 1.00 43.15 H new ATOM 0 HB2 MET A 1 17.381 7.221 -2.621 1.00 61.54 H new ATOM 0 HB3 MET A 1 17.083 7.695 -0.960 1.00 61.54 H new ATOM 0 HG2 MET A 1 15.048 6.493 -2.884 1.00 35.45 H new ATOM 0 HG3 MET A 1 15.796 5.683 -1.522 1.00 35.45 H new ATOM 0 HE1 MET A 1 12.062 6.136 -0.281 1.00 4.11 H new ATOM 0 HE2 MET A 1 12.609 5.772 -1.935 1.00 4.11 H new ATOM 0 HE3 MET A 1 13.387 4.978 -0.545 1.00 4.11 H new ATOM 20 N GLY A 2 17.905 10.376 -1.153 1.00 42.34 N ATOM 21 CA GLY A 2 19.076 11.259 -0.972 1.00 70.02 C ATOM 22 C GLY A 2 19.817 11.037 0.351 1.00 14.24 C ATOM 23 O GLY A 2 20.461 11.965 0.854 1.00 61.14 O ATOM 0 H GLY A 2 17.460 10.089 -0.281 1.00 42.34 H new ATOM 0 HA2 GLY A 2 19.770 11.101 -1.798 1.00 70.02 H new ATOM 0 HA3 GLY A 2 18.749 12.297 -1.025 1.00 70.02 H new ATOM 27 N HIS A 3 19.736 9.789 0.882 1.00 41.30 N ATOM 28 CA HIS A 3 20.331 9.350 2.185 1.00 0.12 C ATOM 29 C HIS A 3 20.249 10.417 3.325 1.00 72.43 C ATOM 30 O HIS A 3 21.238 11.071 3.670 1.00 20.01 O ATOM 31 CB HIS A 3 21.776 8.772 1.993 1.00 22.13 C ATOM 32 CG HIS A 3 22.781 9.679 1.311 1.00 50.32 C ATOM 33 ND1 HIS A 3 22.933 9.734 -0.058 1.00 43.41 N ATOM 34 CD2 HIS A 3 23.683 10.567 1.807 1.00 72.30 C ATOM 35 CE1 HIS A 3 23.868 10.603 -0.366 1.00 1.24 C ATOM 36 NE2 HIS A 3 24.341 11.119 0.743 1.00 45.14 N ATOM 0 H HIS A 3 19.242 9.034 0.406 1.00 41.30 H new ATOM 0 HA HIS A 3 19.698 8.536 2.538 1.00 0.12 H new ATOM 0 HB2 HIS A 3 22.169 8.503 2.973 1.00 22.13 H new ATOM 0 HB3 HIS A 3 21.701 7.850 1.416 1.00 22.13 H new ATOM 0 HD2 HIS A 3 23.849 10.795 2.850 1.00 72.30 H new ATOM 0 HE1 HIS A 3 24.193 10.851 -1.366 1.00 1.24 H new ATOM 0 HE2 HIS A 3 25.080 11.819 0.802 1.00 45.14 H new ATOM 45 N HIS A 4 19.036 10.601 3.882 1.00 64.55 N ATOM 46 CA HIS A 4 18.753 11.633 4.915 1.00 50.24 C ATOM 47 C HIS A 4 18.533 11.022 6.317 1.00 12.52 C ATOM 48 O HIS A 4 18.042 9.894 6.454 1.00 53.32 O ATOM 49 CB HIS A 4 17.521 12.478 4.505 1.00 1.32 C ATOM 50 CG HIS A 4 17.731 13.256 3.237 1.00 32.02 C ATOM 51 ND1 HIS A 4 18.423 14.447 3.195 1.00 2.43 N ATOM 52 CD2 HIS A 4 17.372 12.995 1.958 1.00 30.23 C ATOM 53 CE1 HIS A 4 18.480 14.878 1.956 1.00 5.44 C ATOM 54 NE2 HIS A 4 17.854 14.018 1.186 1.00 11.52 N ATOM 0 H HIS A 4 18.221 10.041 3.633 1.00 64.55 H new ATOM 0 HA HIS A 4 19.633 12.273 4.976 1.00 50.24 H new ATOM 0 HB2 HIS A 4 16.662 11.819 4.381 1.00 1.32 H new ATOM 0 HB3 HIS A 4 17.278 13.170 5.312 1.00 1.32 H new ATOM 0 HD2 HIS A 4 16.811 12.140 1.611 1.00 30.23 H new ATOM 0 HE1 HIS A 4 18.961 15.787 1.626 1.00 5.44 H new ATOM 0 HE2 HIS A 4 17.744 14.099 0.175 1.00 11.52 H new ATOM 63 N HIS A 5 18.915 11.793 7.358 1.00 62.52 N ATOM 64 CA HIS A 5 18.699 11.433 8.777 1.00 72.22 C ATOM 65 C HIS A 5 17.759 12.469 9.451 1.00 1.51 C ATOM 66 O HIS A 5 18.155 13.621 9.685 1.00 71.12 O ATOM 67 CB HIS A 5 20.053 11.359 9.540 1.00 72.32 C ATOM 68 CG HIS A 5 21.004 10.306 9.019 1.00 64.14 C ATOM 69 ND1 HIS A 5 20.981 8.996 9.446 1.00 64.31 N ATOM 70 CD2 HIS A 5 22.012 10.374 8.113 1.00 53.23 C ATOM 71 CE1 HIS A 5 21.919 8.312 8.826 1.00 1.30 C ATOM 72 NE2 HIS A 5 22.556 9.122 8.018 1.00 24.23 N ATOM 0 H HIS A 5 19.386 12.690 7.237 1.00 62.52 H new ATOM 0 HA HIS A 5 18.231 10.449 8.816 1.00 72.22 H new ATOM 0 HB2 HIS A 5 20.541 12.332 9.485 1.00 72.32 H new ATOM 0 HB3 HIS A 5 19.853 11.162 10.593 1.00 72.32 H new ATOM 0 HD2 HIS A 5 22.326 11.252 7.569 1.00 53.23 H new ATOM 0 HE1 HIS A 5 22.128 7.261 8.961 1.00 1.30 H new ATOM 0 HE2 HIS A 5 23.335 8.861 7.413 1.00 24.23 H new ATOM 81 N HIS A 6 16.510 12.049 9.738 1.00 51.33 N ATOM 82 CA HIS A 6 15.508 12.880 10.442 1.00 32.33 C ATOM 83 C HIS A 6 14.691 12.002 11.415 1.00 61.40 C ATOM 84 O HIS A 6 13.792 11.260 10.990 1.00 1.42 O ATOM 85 CB HIS A 6 14.575 13.589 9.427 1.00 2.33 C ATOM 86 CG HIS A 6 13.608 14.574 10.047 1.00 5.33 C ATOM 87 ND1 HIS A 6 12.245 14.373 10.102 1.00 31.54 N ATOM 88 CD2 HIS A 6 13.821 15.777 10.635 1.00 61.32 C ATOM 89 CE1 HIS A 6 11.670 15.401 10.686 1.00 21.24 C ATOM 90 NE2 HIS A 6 12.601 16.269 11.024 1.00 40.33 N ATOM 0 H HIS A 6 16.166 11.122 9.488 1.00 51.33 H new ATOM 0 HA HIS A 6 16.027 13.649 11.014 1.00 32.33 H new ATOM 0 HB2 HIS A 6 15.188 14.113 8.694 1.00 2.33 H new ATOM 0 HB3 HIS A 6 14.007 12.833 8.885 1.00 2.33 H new ATOM 0 HD2 HIS A 6 14.777 16.260 10.772 1.00 61.32 H new ATOM 0 HE1 HIS A 6 10.610 15.515 10.860 1.00 21.24 H new ATOM 0 HE2 HIS A 6 12.441 17.159 11.496 1.00 40.33 H new ATOM 99 N HIS A 7 15.037 12.067 12.715 1.00 23.12 N ATOM 100 CA HIS A 7 14.357 11.276 13.770 1.00 71.31 C ATOM 101 C HIS A 7 14.416 12.021 15.140 1.00 22.12 C ATOM 102 O HIS A 7 14.290 11.405 16.206 1.00 41.14 O ATOM 103 CB HIS A 7 14.998 9.853 13.846 1.00 55.52 C ATOM 104 CG HIS A 7 14.098 8.784 14.419 1.00 40.33 C ATOM 105 ND1 HIS A 7 13.193 8.084 13.650 1.00 51.21 N ATOM 106 CD2 HIS A 7 13.959 8.296 15.680 1.00 43.43 C ATOM 107 CE1 HIS A 7 12.545 7.223 14.401 1.00 21.10 C ATOM 108 NE2 HIS A 7 12.985 7.329 15.633 1.00 53.42 N ATOM 0 H HIS A 7 15.788 12.662 13.066 1.00 23.12 H new ATOM 0 HA HIS A 7 13.303 11.160 13.519 1.00 71.31 H new ATOM 0 HB2 HIS A 7 15.303 9.553 12.843 1.00 55.52 H new ATOM 0 HB3 HIS A 7 15.903 9.909 14.451 1.00 55.52 H new ATOM 0 HD2 HIS A 7 14.511 8.610 16.554 1.00 43.43 H new ATOM 0 HE1 HIS A 7 11.779 6.542 14.062 1.00 21.10 H new ATOM 0 HE2 HIS A 7 12.656 6.781 16.428 1.00 53.42 H new ATOM 117 N HIS A 8 14.579 13.365 15.091 1.00 51.40 N ATOM 118 CA HIS A 8 14.633 14.220 16.302 1.00 72.33 C ATOM 119 C HIS A 8 13.217 14.389 16.913 1.00 63.12 C ATOM 120 O HIS A 8 12.425 15.231 16.467 1.00 63.02 O ATOM 121 CB HIS A 8 15.263 15.602 15.958 1.00 3.32 C ATOM 122 CG HIS A 8 15.514 16.492 17.154 1.00 12.11 C ATOM 123 ND1 HIS A 8 16.665 16.428 17.908 1.00 1.13 N ATOM 124 CD2 HIS A 8 14.758 17.467 17.722 1.00 12.15 C ATOM 125 CE1 HIS A 8 16.606 17.316 18.879 1.00 73.13 C ATOM 126 NE2 HIS A 8 15.462 17.958 18.791 1.00 62.03 N ATOM 0 H HIS A 8 14.676 13.884 14.218 1.00 51.40 H new ATOM 0 HA HIS A 8 15.263 13.734 17.047 1.00 72.33 H new ATOM 0 HB2 HIS A 8 16.207 15.437 15.439 1.00 3.32 H new ATOM 0 HB3 HIS A 8 14.605 16.125 15.264 1.00 3.32 H new ATOM 0 HD2 HIS A 8 13.783 17.795 17.393 1.00 12.15 H new ATOM 0 HE1 HIS A 8 17.370 17.488 19.623 1.00 73.13 H new ATOM 0 HE2 HIS A 8 15.149 18.701 19.416 1.00 62.03 H new ATOM 135 N SER A 9 12.907 13.550 17.910 1.00 61.15 N ATOM 136 CA SER A 9 11.617 13.579 18.637 1.00 74.13 C ATOM 137 C SER A 9 11.799 13.057 20.075 1.00 31.14 C ATOM 138 O SER A 9 12.715 12.266 20.342 1.00 62.44 O ATOM 139 CB SER A 9 10.553 12.730 17.904 1.00 44.31 C ATOM 140 OG SER A 9 9.306 12.759 18.589 1.00 62.53 O ATOM 0 H SER A 9 13.543 12.825 18.242 1.00 61.15 H new ATOM 0 HA SER A 9 11.274 14.613 18.673 1.00 74.13 H new ATOM 0 HB2 SER A 9 10.422 13.105 16.889 1.00 44.31 H new ATOM 0 HB3 SER A 9 10.901 11.700 17.821 1.00 44.31 H new ATOM 0 HG SER A 9 8.652 12.215 18.102 1.00 62.53 H new ATOM 146 N HIS A 10 10.916 13.499 20.987 1.00 75.14 N ATOM 147 CA HIS A 10 10.948 13.101 22.413 1.00 3.43 C ATOM 148 C HIS A 10 10.508 11.619 22.603 1.00 50.52 C ATOM 149 O HIS A 10 9.503 11.182 22.031 1.00 53.42 O ATOM 150 CB HIS A 10 10.040 14.038 23.246 1.00 62.11 C ATOM 151 CG HIS A 10 10.409 15.500 23.158 1.00 53.50 C ATOM 152 ND1 HIS A 10 9.581 16.457 22.603 1.00 71.32 N ATOM 153 CD2 HIS A 10 11.517 16.170 23.570 1.00 73.33 C ATOM 154 CE1 HIS A 10 10.158 17.637 22.678 1.00 75.34 C ATOM 155 NE2 HIS A 10 11.330 17.492 23.258 1.00 31.14 N ATOM 0 H HIS A 10 10.158 14.143 20.760 1.00 75.14 H new ATOM 0 HA HIS A 10 11.976 13.190 22.763 1.00 3.43 H new ATOM 0 HB2 HIS A 10 9.009 13.915 22.914 1.00 62.11 H new ATOM 0 HB3 HIS A 10 10.078 13.728 24.290 1.00 62.11 H new ATOM 0 HD2 HIS A 10 12.383 15.741 24.053 1.00 73.33 H new ATOM 0 HE1 HIS A 10 9.740 18.568 22.323 1.00 75.34 H new ATOM 0 HE2 HIS A 10 11.994 18.243 23.446 1.00 31.14 H new ATOM 164 N MET A 11 11.266 10.870 23.428 1.00 2.12 N ATOM 165 CA MET A 11 11.011 9.432 23.691 1.00 31.20 C ATOM 166 C MET A 11 11.534 9.037 25.098 1.00 41.22 C ATOM 167 O MET A 11 12.704 9.273 25.418 1.00 63.21 O ATOM 168 CB MET A 11 11.693 8.562 22.590 1.00 70.24 C ATOM 169 CG MET A 11 11.404 7.051 22.675 1.00 44.23 C ATOM 170 SD MET A 11 12.282 6.089 21.413 1.00 33.43 S ATOM 171 CE MET A 11 11.620 6.765 19.882 1.00 45.23 C ATOM 0 H MET A 11 12.072 11.240 23.932 1.00 2.12 H new ATOM 0 HA MET A 11 9.936 9.254 23.664 1.00 31.20 H new ATOM 0 HB2 MET A 11 11.371 8.923 21.613 1.00 70.24 H new ATOM 0 HB3 MET A 11 12.771 8.713 22.646 1.00 70.24 H new ATOM 0 HG2 MET A 11 11.687 6.688 23.663 1.00 44.23 H new ATOM 0 HG3 MET A 11 10.332 6.885 22.569 1.00 44.23 H new ATOM 0 HE1 MET A 11 11.864 6.099 19.055 1.00 45.23 H new ATOM 0 HE2 MET A 11 10.537 6.860 19.964 1.00 45.23 H new ATOM 0 HE3 MET A 11 12.057 7.747 19.699 1.00 45.23 H new ATOM 181 N LYS A 12 10.653 8.455 25.936 1.00 73.12 N ATOM 182 CA LYS A 12 11.021 7.949 27.290 1.00 4.02 C ATOM 183 C LYS A 12 11.540 6.482 27.239 1.00 0.13 C ATOM 184 O LYS A 12 11.710 5.908 26.152 1.00 14.32 O ATOM 185 CB LYS A 12 9.798 8.077 28.247 1.00 23.50 C ATOM 186 CG LYS A 12 9.354 9.536 28.508 1.00 23.31 C ATOM 187 CD LYS A 12 8.163 9.645 29.496 1.00 31.12 C ATOM 188 CE LYS A 12 7.820 11.110 29.846 1.00 13.02 C ATOM 189 NZ LYS A 12 6.669 11.221 30.787 1.00 50.34 N ATOM 0 H LYS A 12 9.669 8.319 25.703 1.00 73.12 H new ATOM 0 HA LYS A 12 11.839 8.559 27.672 1.00 4.02 H new ATOM 0 HB2 LYS A 12 8.960 7.523 27.825 1.00 23.50 H new ATOM 0 HB3 LYS A 12 10.044 7.607 29.199 1.00 23.50 H new ATOM 0 HG2 LYS A 12 10.198 10.101 28.903 1.00 23.31 H new ATOM 0 HG3 LYS A 12 9.076 9.999 27.561 1.00 23.31 H new ATOM 0 HD2 LYS A 12 7.287 9.164 29.060 1.00 31.12 H new ATOM 0 HD3 LYS A 12 8.402 9.102 30.411 1.00 31.12 H new ATOM 0 HE2 LYS A 12 8.694 11.588 30.289 1.00 13.02 H new ATOM 0 HE3 LYS A 12 7.589 11.654 28.930 1.00 13.02 H new ATOM 0 HZ1 LYS A 12 6.481 12.224 30.989 1.00 50.34 H new ATOM 0 HZ2 LYS A 12 5.826 10.790 30.357 1.00 50.34 H new ATOM 0 HZ3 LYS A 12 6.896 10.726 31.673 1.00 50.34 H new ATOM 203 N HIS A 13 11.816 5.891 28.427 1.00 50.13 N ATOM 204 CA HIS A 13 12.230 4.470 28.547 1.00 51.11 C ATOM 205 C HIS A 13 11.009 3.522 28.363 1.00 50.24 C ATOM 206 O HIS A 13 10.490 2.943 29.331 1.00 41.13 O ATOM 207 CB HIS A 13 12.926 4.214 29.911 1.00 20.23 C ATOM 208 CG HIS A 13 14.164 5.046 30.148 1.00 3.03 C ATOM 209 ND1 HIS A 13 14.145 6.241 30.828 1.00 64.33 N ATOM 210 CD2 HIS A 13 15.458 4.849 29.793 1.00 53.40 C ATOM 211 CE1 HIS A 13 15.363 6.740 30.881 1.00 31.32 C ATOM 212 NE2 HIS A 13 16.178 5.917 30.261 1.00 4.12 N ATOM 0 H HIS A 13 11.759 6.379 29.321 1.00 50.13 H new ATOM 0 HA HIS A 13 12.947 4.256 27.754 1.00 51.11 H new ATOM 0 HB2 HIS A 13 12.213 4.411 30.711 1.00 20.23 H new ATOM 0 HB3 HIS A 13 13.194 3.160 29.975 1.00 20.23 H new ATOM 0 HD2 HIS A 13 15.849 4.006 29.243 1.00 53.40 H new ATOM 0 HE1 HIS A 13 15.644 7.669 31.354 1.00 31.32 H new ATOM 0 HE2 HIS A 13 17.183 6.051 30.147 1.00 4.12 H new ATOM 221 N SER A 14 10.545 3.408 27.105 1.00 63.22 N ATOM 222 CA SER A 14 9.363 2.594 26.724 1.00 42.55 C ATOM 223 C SER A 14 9.547 2.014 25.299 1.00 42.42 C ATOM 224 O SER A 14 9.177 2.645 24.299 1.00 63.15 O ATOM 225 CB SER A 14 8.054 3.439 26.800 1.00 32.44 C ATOM 226 OG SER A 14 7.789 3.898 28.123 1.00 50.42 O ATOM 0 H SER A 14 10.980 3.881 26.313 1.00 63.22 H new ATOM 0 HA SER A 14 9.276 1.770 27.432 1.00 42.55 H new ATOM 0 HB2 SER A 14 8.136 4.294 26.129 1.00 32.44 H new ATOM 0 HB3 SER A 14 7.214 2.839 26.450 1.00 32.44 H new ATOM 0 HG SER A 14 6.962 4.424 28.127 1.00 50.42 H new ATOM 232 N SER A 15 10.175 0.828 25.214 1.00 64.42 N ATOM 233 CA SER A 15 10.350 0.096 23.935 1.00 43.14 C ATOM 234 C SER A 15 9.229 -0.950 23.770 1.00 40.21 C ATOM 235 O SER A 15 9.387 -2.119 24.146 1.00 1.33 O ATOM 236 CB SER A 15 11.748 -0.574 23.868 1.00 42.01 C ATOM 237 OG SER A 15 11.965 -1.224 22.621 1.00 23.02 O ATOM 0 H SER A 15 10.575 0.348 26.020 1.00 64.42 H new ATOM 0 HA SER A 15 10.285 0.809 23.113 1.00 43.14 H new ATOM 0 HB2 SER A 15 12.520 0.180 24.024 1.00 42.01 H new ATOM 0 HB3 SER A 15 11.842 -1.299 24.677 1.00 42.01 H new ATOM 0 HG SER A 15 12.856 -1.633 22.616 1.00 23.02 H new ATOM 243 N ARG A 16 8.073 -0.503 23.249 1.00 24.12 N ATOM 244 CA ARG A 16 6.885 -1.364 23.056 1.00 65.31 C ATOM 245 C ARG A 16 6.119 -0.962 21.773 1.00 71.14 C ATOM 246 O ARG A 16 5.677 0.183 21.637 1.00 11.54 O ATOM 247 CB ARG A 16 5.950 -1.279 24.295 1.00 64.02 C ATOM 248 CG ARG A 16 4.744 -2.251 24.265 1.00 1.13 C ATOM 249 CD ARG A 16 3.818 -2.098 25.489 1.00 51.20 C ATOM 250 NE ARG A 16 3.198 -0.766 25.547 1.00 75.33 N ATOM 251 CZ ARG A 16 2.676 -0.210 26.617 1.00 62.22 C ATOM 252 NH1 ARG A 16 2.671 -0.817 27.765 1.00 32.14 N ATOM 253 NH2 ARG A 16 2.144 0.958 26.526 1.00 25.33 N ATOM 0 H ARG A 16 7.932 0.462 22.950 1.00 24.12 H new ATOM 0 HA ARG A 16 7.223 -2.394 22.943 1.00 65.31 H new ATOM 0 HB2 ARG A 16 6.538 -1.479 25.191 1.00 64.02 H new ATOM 0 HB3 ARG A 16 5.575 -0.259 24.381 1.00 64.02 H new ATOM 0 HG2 ARG A 16 4.168 -2.079 23.356 1.00 1.13 H new ATOM 0 HG3 ARG A 16 5.111 -3.276 24.220 1.00 1.13 H new ATOM 0 HD2 ARG A 16 3.039 -2.859 25.452 1.00 51.20 H new ATOM 0 HD3 ARG A 16 4.390 -2.272 26.400 1.00 51.20 H new ATOM 0 HE ARG A 16 3.171 -0.227 24.682 1.00 75.33 H new ATOM 0 HH11 ARG A 16 3.079 -1.748 27.851 1.00 32.14 H new ATOM 0 HH12 ARG A 16 2.259 -0.363 28.580 1.00 32.14 H new ATOM 0 HH21 ARG A 16 2.130 1.444 25.629 1.00 25.33 H new ATOM 0 HH22 ARG A 16 1.736 1.398 27.351 1.00 25.33 H new ATOM 267 N LEU A 17 5.988 -1.916 20.839 1.00 50.25 N ATOM 268 CA LEU A 17 5.204 -1.758 19.591 1.00 31.23 C ATOM 269 C LEU A 17 4.437 -3.060 19.258 1.00 72.33 C ATOM 270 O LEU A 17 4.287 -3.954 20.098 1.00 22.55 O ATOM 271 CB LEU A 17 6.132 -1.351 18.391 1.00 70.21 C ATOM 272 CG LEU A 17 6.445 0.168 18.214 1.00 41.53 C ATOM 273 CD1 LEU A 17 7.272 0.405 16.930 1.00 31.45 C ATOM 274 CD2 LEU A 17 5.143 1.013 18.197 1.00 30.12 C ATOM 0 H LEU A 17 6.427 -2.833 20.924 1.00 50.25 H new ATOM 0 HA LEU A 17 4.480 -0.959 19.750 1.00 31.23 H new ATOM 0 HB2 LEU A 17 7.078 -1.880 18.501 1.00 70.21 H new ATOM 0 HB3 LEU A 17 5.671 -1.710 17.471 1.00 70.21 H new ATOM 0 HG LEU A 17 7.037 0.492 19.070 1.00 41.53 H new ATOM 0 HD11 LEU A 17 7.481 1.469 16.823 1.00 31.45 H new ATOM 0 HD12 LEU A 17 8.211 -0.144 16.996 1.00 31.45 H new ATOM 0 HD13 LEU A 17 6.708 0.057 16.065 1.00 31.45 H new ATOM 0 HD21 LEU A 17 5.394 2.066 18.072 1.00 30.12 H new ATOM 0 HD22 LEU A 17 4.511 0.691 17.370 1.00 30.12 H new ATOM 0 HD23 LEU A 17 4.608 0.876 19.137 1.00 30.12 H new ATOM 286 N GLU A 18 3.943 -3.133 18.014 1.00 71.31 N ATOM 287 CA GLU A 18 3.235 -4.299 17.471 1.00 35.24 C ATOM 288 C GLU A 18 4.206 -5.382 16.926 1.00 53.11 C ATOM 289 O GLU A 18 5.346 -5.086 16.555 1.00 71.50 O ATOM 290 CB GLU A 18 2.286 -3.804 16.350 1.00 2.53 C ATOM 291 CG GLU A 18 1.129 -2.904 16.842 1.00 2.31 C ATOM 292 CD GLU A 18 0.297 -3.550 17.972 1.00 72.22 C ATOM 293 OE1 GLU A 18 -0.442 -4.523 17.696 1.00 55.53 O ATOM 294 OE2 GLU A 18 0.405 -3.117 19.146 1.00 60.42 O ATOM 0 H GLU A 18 4.026 -2.368 17.345 1.00 71.31 H new ATOM 0 HA GLU A 18 2.671 -4.774 18.274 1.00 35.24 H new ATOM 0 HB2 GLU A 18 2.870 -3.253 15.613 1.00 2.53 H new ATOM 0 HB3 GLU A 18 1.864 -4.670 15.839 1.00 2.53 H new ATOM 0 HG2 GLU A 18 1.538 -1.958 17.196 1.00 2.31 H new ATOM 0 HG3 GLU A 18 0.473 -2.674 16.002 1.00 2.31 H new ATOM 301 N ALA A 19 3.737 -6.644 16.904 1.00 53.43 N ATOM 302 CA ALA A 19 4.449 -7.770 16.252 1.00 70.35 C ATOM 303 C ALA A 19 4.112 -7.839 14.733 1.00 33.50 C ATOM 304 O ALA A 19 3.411 -6.960 14.213 1.00 1.24 O ATOM 305 CB ALA A 19 4.084 -9.086 16.971 1.00 52.24 C ATOM 0 H ALA A 19 2.854 -6.916 17.336 1.00 53.43 H new ATOM 0 HA ALA A 19 5.524 -7.611 16.333 1.00 70.35 H new ATOM 0 HB1 ALA A 19 4.605 -9.917 16.495 1.00 52.24 H new ATOM 0 HB2 ALA A 19 4.381 -9.023 18.018 1.00 52.24 H new ATOM 0 HB3 ALA A 19 3.008 -9.249 16.908 1.00 52.24 H new ATOM 311 N HIS A 20 4.650 -8.874 14.037 1.00 15.34 N ATOM 312 CA HIS A 20 4.405 -9.136 12.578 1.00 51.50 C ATOM 313 C HIS A 20 5.052 -8.037 11.667 1.00 63.15 C ATOM 314 O HIS A 20 4.689 -7.877 10.493 1.00 3.04 O ATOM 315 CB HIS A 20 2.862 -9.318 12.324 1.00 11.24 C ATOM 316 CG HIS A 20 2.450 -9.943 10.999 1.00 65.33 C ATOM 317 ND1 HIS A 20 2.340 -11.311 10.808 1.00 73.42 N ATOM 318 CD2 HIS A 20 2.086 -9.383 9.812 1.00 51.24 C ATOM 319 CE1 HIS A 20 1.929 -11.553 9.578 1.00 13.12 C ATOM 320 NE2 HIS A 20 1.769 -10.409 8.958 1.00 41.32 N ATOM 0 H HIS A 20 5.271 -9.559 14.467 1.00 15.34 H new ATOM 0 HA HIS A 20 4.900 -10.066 12.298 1.00 51.50 H new ATOM 0 HB2 HIS A 20 2.456 -9.931 13.129 1.00 11.24 H new ATOM 0 HB3 HIS A 20 2.388 -8.339 12.399 1.00 11.24 H new ATOM 0 HD2 HIS A 20 2.053 -8.328 9.585 1.00 51.24 H new ATOM 0 HE1 HIS A 20 1.754 -12.530 9.153 1.00 13.12 H new ATOM 0 HE2 HIS A 20 1.458 -10.299 7.993 1.00 41.32 H new ATOM 329 N LEU A 21 6.057 -7.314 12.207 1.00 13.43 N ATOM 330 CA LEU A 21 6.787 -6.263 11.455 1.00 54.21 C ATOM 331 C LEU A 21 7.761 -6.892 10.418 1.00 61.34 C ATOM 332 O LEU A 21 8.879 -7.299 10.757 1.00 64.10 O ATOM 333 CB LEU A 21 7.547 -5.307 12.424 1.00 52.20 C ATOM 334 CG LEU A 21 6.672 -4.579 13.502 1.00 52.42 C ATOM 335 CD1 LEU A 21 7.532 -3.671 14.422 1.00 70.44 C ATOM 336 CD2 LEU A 21 5.517 -3.775 12.854 1.00 73.20 C ATOM 0 H LEU A 21 6.384 -7.438 13.165 1.00 13.43 H new ATOM 0 HA LEU A 21 6.051 -5.672 10.909 1.00 54.21 H new ATOM 0 HB2 LEU A 21 8.317 -5.881 12.938 1.00 52.20 H new ATOM 0 HB3 LEU A 21 8.058 -4.550 11.829 1.00 52.20 H new ATOM 0 HG LEU A 21 6.227 -5.355 14.125 1.00 52.42 H new ATOM 0 HD11 LEU A 21 6.890 -3.184 15.156 1.00 70.44 H new ATOM 0 HD12 LEU A 21 8.277 -4.277 14.938 1.00 70.44 H new ATOM 0 HD13 LEU A 21 8.034 -2.914 13.820 1.00 70.44 H new ATOM 0 HD21 LEU A 21 4.933 -3.285 13.633 1.00 73.20 H new ATOM 0 HD22 LEU A 21 5.930 -3.023 12.182 1.00 73.20 H new ATOM 0 HD23 LEU A 21 4.874 -4.451 12.290 1.00 73.20 H new ATOM 348 N THR A 22 7.295 -6.990 9.159 1.00 1.14 N ATOM 349 CA THR A 22 8.058 -7.592 8.033 1.00 13.24 C ATOM 350 C THR A 22 9.174 -6.652 7.497 1.00 31.51 C ATOM 351 O THR A 22 9.345 -5.525 7.976 1.00 21.51 O ATOM 352 CB THR A 22 7.093 -7.959 6.847 1.00 22.41 C ATOM 353 OG1 THR A 22 6.529 -6.759 6.279 1.00 40.34 O ATOM 354 CG2 THR A 22 5.951 -8.891 7.299 1.00 33.34 C ATOM 0 H THR A 22 6.372 -6.653 8.885 1.00 1.14 H new ATOM 0 HA THR A 22 8.531 -8.491 8.429 1.00 13.24 H new ATOM 0 HB THR A 22 7.686 -8.486 6.099 1.00 22.41 H new ATOM 0 HG1 THR A 22 5.931 -6.997 5.540 1.00 40.34 H new ATOM 0 HG21 THR A 22 5.309 -9.119 6.448 1.00 33.34 H new ATOM 0 HG22 THR A 22 6.371 -9.816 7.694 1.00 33.34 H new ATOM 0 HG23 THR A 22 5.365 -8.398 8.075 1.00 33.34 H new ATOM 362 N ARG A 23 9.931 -7.145 6.491 1.00 34.33 N ATOM 363 CA ARG A 23 10.886 -6.316 5.706 1.00 61.24 C ATOM 364 C ARG A 23 10.153 -5.137 5.017 1.00 34.21 C ATOM 365 O ARG A 23 10.655 -4.009 4.962 1.00 45.43 O ATOM 366 CB ARG A 23 11.597 -7.196 4.634 1.00 42.13 C ATOM 367 CG ARG A 23 12.628 -6.456 3.741 1.00 45.42 C ATOM 368 CD ARG A 23 13.830 -5.900 4.530 1.00 60.24 C ATOM 369 NE ARG A 23 14.749 -5.143 3.665 1.00 5.55 N ATOM 370 CZ ARG A 23 15.981 -4.799 3.983 1.00 11.40 C ATOM 371 NH1 ARG A 23 16.521 -5.165 5.106 1.00 71.11 N ATOM 372 NH2 ARG A 23 16.673 -4.097 3.154 1.00 54.34 N ATOM 0 H ARG A 23 9.901 -8.122 6.198 1.00 34.33 H new ATOM 0 HA ARG A 23 11.630 -5.908 6.390 1.00 61.24 H new ATOM 0 HB2 ARG A 23 12.104 -8.017 5.141 1.00 42.13 H new ATOM 0 HB3 ARG A 23 10.837 -7.640 3.991 1.00 42.13 H new ATOM 0 HG2 ARG A 23 12.991 -7.140 2.974 1.00 45.42 H new ATOM 0 HG3 ARG A 23 12.129 -5.635 3.226 1.00 45.42 H new ATOM 0 HD2 ARG A 23 13.471 -5.255 5.332 1.00 60.24 H new ATOM 0 HD3 ARG A 23 14.368 -6.723 5.000 1.00 60.24 H new ATOM 0 HE ARG A 23 14.405 -4.862 2.747 1.00 5.55 H new ATOM 0 HH11 ARG A 23 15.990 -5.732 5.766 1.00 71.11 H new ATOM 0 HH12 ARG A 23 17.476 -4.885 5.328 1.00 71.11 H new ATOM 0 HH21 ARG A 23 16.267 -3.813 2.263 1.00 54.34 H new ATOM 0 HH22 ARG A 23 17.627 -3.825 3.389 1.00 54.34 H new ATOM 386 N ASP A 24 8.949 -5.430 4.503 1.00 51.14 N ATOM 387 CA ASP A 24 8.082 -4.436 3.856 1.00 11.03 C ATOM 388 C ASP A 24 7.507 -3.412 4.865 1.00 74.34 C ATOM 389 O ASP A 24 7.241 -2.276 4.490 1.00 24.35 O ATOM 390 CB ASP A 24 6.958 -5.139 3.066 1.00 21.00 C ATOM 391 CG ASP A 24 7.514 -5.980 1.912 1.00 62.31 C ATOM 392 OD1 ASP A 24 7.666 -5.438 0.789 1.00 21.23 O ATOM 393 OD2 ASP A 24 7.851 -7.168 2.131 1.00 2.41 O ATOM 0 H ASP A 24 8.548 -6.368 4.525 1.00 51.14 H new ATOM 0 HA ASP A 24 8.696 -3.869 3.157 1.00 11.03 H new ATOM 0 HB2 ASP A 24 6.386 -5.778 3.739 1.00 21.00 H new ATOM 0 HB3 ASP A 24 6.269 -4.392 2.672 1.00 21.00 H new ATOM 398 N GLU A 25 7.303 -3.823 6.136 1.00 24.21 N ATOM 399 CA GLU A 25 6.875 -2.899 7.228 1.00 53.42 C ATOM 400 C GLU A 25 7.926 -1.795 7.500 1.00 42.10 C ATOM 401 O GLU A 25 7.578 -0.707 7.965 1.00 61.12 O ATOM 402 CB GLU A 25 6.536 -3.690 8.534 1.00 20.11 C ATOM 403 CG GLU A 25 5.067 -4.169 8.648 1.00 62.31 C ATOM 404 CD GLU A 25 4.073 -3.005 8.875 1.00 45.44 C ATOM 405 OE1 GLU A 25 3.969 -2.520 10.022 1.00 1.33 O ATOM 406 OE2 GLU A 25 3.427 -2.544 7.910 1.00 50.04 O ATOM 0 H GLU A 25 7.426 -4.789 6.439 1.00 24.21 H new ATOM 0 HA GLU A 25 5.967 -2.400 6.889 1.00 53.42 H new ATOM 0 HB2 GLU A 25 7.191 -4.559 8.595 1.00 20.11 H new ATOM 0 HB3 GLU A 25 6.764 -3.058 9.393 1.00 20.11 H new ATOM 0 HG2 GLU A 25 4.792 -4.703 7.739 1.00 62.31 H new ATOM 0 HG3 GLU A 25 4.984 -4.878 9.472 1.00 62.31 H new ATOM 413 N LEU A 26 9.206 -2.087 7.202 1.00 1.40 N ATOM 414 CA LEU A 26 10.304 -1.099 7.317 1.00 43.53 C ATOM 415 C LEU A 26 10.175 0.013 6.234 1.00 20.45 C ATOM 416 O LEU A 26 10.177 1.206 6.554 1.00 20.50 O ATOM 417 CB LEU A 26 11.672 -1.821 7.184 1.00 61.32 C ATOM 418 CG LEU A 26 11.934 -2.979 8.201 1.00 45.42 C ATOM 419 CD1 LEU A 26 13.269 -3.704 7.909 1.00 34.32 C ATOM 420 CD2 LEU A 26 11.877 -2.473 9.665 1.00 1.25 C ATOM 0 H LEU A 26 9.510 -3.005 6.877 1.00 1.40 H new ATOM 0 HA LEU A 26 10.239 -0.623 8.295 1.00 43.53 H new ATOM 0 HB2 LEU A 26 11.751 -2.225 6.175 1.00 61.32 H new ATOM 0 HB3 LEU A 26 12.464 -1.080 7.294 1.00 61.32 H new ATOM 0 HG LEU A 26 11.133 -3.707 8.073 1.00 45.42 H new ATOM 0 HD11 LEU A 26 13.416 -4.502 8.637 1.00 34.32 H new ATOM 0 HD12 LEU A 26 13.241 -4.128 6.905 1.00 34.32 H new ATOM 0 HD13 LEU A 26 14.092 -2.993 7.979 1.00 34.32 H new ATOM 0 HD21 LEU A 26 12.064 -3.304 10.345 1.00 1.25 H new ATOM 0 HD22 LEU A 26 12.636 -1.705 9.814 1.00 1.25 H new ATOM 0 HD23 LEU A 26 10.891 -2.053 9.867 1.00 1.25 H new ATOM 432 N ARG A 27 10.026 -0.410 4.957 1.00 11.14 N ATOM 433 CA ARG A 27 9.944 0.511 3.785 1.00 75.01 C ATOM 434 C ARG A 27 8.574 1.252 3.715 1.00 64.22 C ATOM 435 O ARG A 27 8.504 2.392 3.246 1.00 32.11 O ATOM 436 CB ARG A 27 10.239 -0.278 2.465 1.00 13.41 C ATOM 437 CG ARG A 27 9.245 -1.425 2.164 1.00 0.13 C ATOM 438 CD ARG A 27 9.729 -2.423 1.084 1.00 5.25 C ATOM 439 NE ARG A 27 9.770 -1.843 -0.269 1.00 50.03 N ATOM 440 CZ ARG A 27 9.154 -2.326 -1.335 1.00 34.53 C ATOM 441 NH1 ARG A 27 8.372 -3.365 -1.272 1.00 44.13 N ATOM 442 NH2 ARG A 27 9.313 -1.742 -2.475 1.00 35.44 N ATOM 0 H ARG A 27 9.959 -1.396 4.704 1.00 11.14 H new ATOM 0 HA ARG A 27 10.704 1.283 3.908 1.00 75.01 H new ATOM 0 HB2 ARG A 27 10.230 0.422 1.629 1.00 13.41 H new ATOM 0 HB3 ARG A 27 11.245 -0.693 2.522 1.00 13.41 H new ATOM 0 HG2 ARG A 27 9.051 -1.972 3.086 1.00 0.13 H new ATOM 0 HG3 ARG A 27 8.297 -0.993 1.844 1.00 0.13 H new ATOM 0 HD2 ARG A 27 10.724 -2.780 1.349 1.00 5.25 H new ATOM 0 HD3 ARG A 27 9.070 -3.291 1.080 1.00 5.25 H new ATOM 0 HE ARG A 27 10.322 -0.994 -0.395 1.00 50.03 H new ATOM 0 HH11 ARG A 27 8.218 -3.834 -0.379 1.00 44.13 H new ATOM 0 HH12 ARG A 27 7.913 -3.710 -2.115 1.00 44.13 H new ATOM 0 HH21 ARG A 27 9.909 -0.917 -2.547 1.00 35.44 H new ATOM 0 HH22 ARG A 27 8.843 -2.105 -3.304 1.00 35.44 H new ATOM 456 N ALA A 28 7.501 0.595 4.203 1.00 71.04 N ATOM 457 CA ALA A 28 6.138 1.169 4.243 1.00 1.31 C ATOM 458 C ALA A 28 6.047 2.301 5.274 1.00 65.51 C ATOM 459 O ALA A 28 5.576 3.397 4.974 1.00 31.22 O ATOM 460 CB ALA A 28 5.103 0.078 4.545 1.00 42.31 C ATOM 0 H ALA A 28 7.555 -0.351 4.581 1.00 71.04 H new ATOM 0 HA ALA A 28 5.920 1.590 3.262 1.00 1.31 H new ATOM 0 HB1 ALA A 28 4.106 0.519 4.570 1.00 42.31 H new ATOM 0 HB2 ALA A 28 5.142 -0.686 3.768 1.00 42.31 H new ATOM 0 HB3 ALA A 28 5.324 -0.376 5.511 1.00 42.31 H new ATOM 466 N LYS A 29 6.541 2.015 6.481 1.00 70.24 N ATOM 467 CA LYS A 29 6.576 2.974 7.606 1.00 53.30 C ATOM 468 C LYS A 29 7.578 4.132 7.330 1.00 14.54 C ATOM 469 O LYS A 29 7.437 5.228 7.883 1.00 12.51 O ATOM 470 CB LYS A 29 6.927 2.190 8.903 1.00 4.25 C ATOM 471 CG LYS A 29 6.556 2.879 10.237 1.00 3.14 C ATOM 472 CD LYS A 29 6.658 1.923 11.467 1.00 42.41 C ATOM 473 CE LYS A 29 5.547 0.832 11.532 1.00 32.33 C ATOM 474 NZ LYS A 29 5.622 -0.178 10.433 1.00 24.21 N ATOM 0 H LYS A 29 6.934 1.103 6.715 1.00 70.24 H new ATOM 0 HA LYS A 29 5.600 3.445 7.726 1.00 53.30 H new ATOM 0 HB2 LYS A 29 6.425 1.223 8.865 1.00 4.25 H new ATOM 0 HB3 LYS A 29 7.999 1.993 8.905 1.00 4.25 H new ATOM 0 HG2 LYS A 29 7.214 3.734 10.393 1.00 3.14 H new ATOM 0 HG3 LYS A 29 5.540 3.267 10.169 1.00 3.14 H new ATOM 0 HD2 LYS A 29 7.631 1.432 11.450 1.00 42.41 H new ATOM 0 HD3 LYS A 29 6.618 2.519 12.379 1.00 42.41 H new ATOM 0 HE2 LYS A 29 5.614 0.317 12.490 1.00 32.33 H new ATOM 0 HE3 LYS A 29 4.572 1.318 11.499 1.00 32.33 H new ATOM 0 HZ1 LYS A 29 5.173 -1.063 10.744 1.00 24.21 H new ATOM 0 HZ2 LYS A 29 5.128 0.185 9.593 1.00 24.21 H new ATOM 0 HZ3 LYS A 29 6.618 -0.360 10.196 1.00 24.21 H new ATOM 488 N ALA A 30 8.577 3.868 6.454 1.00 32.30 N ATOM 489 CA ALA A 30 9.554 4.887 5.994 1.00 71.23 C ATOM 490 C ALA A 30 8.894 5.939 5.064 1.00 12.40 C ATOM 491 O ALA A 30 9.131 7.141 5.216 1.00 50.51 O ATOM 492 CB ALA A 30 10.732 4.204 5.281 1.00 51.42 C ATOM 0 H ALA A 30 8.729 2.945 6.047 1.00 32.30 H new ATOM 0 HA ALA A 30 9.924 5.415 6.873 1.00 71.23 H new ATOM 0 HB1 ALA A 30 11.443 4.960 4.947 1.00 51.42 H new ATOM 0 HB2 ALA A 30 11.227 3.519 5.970 1.00 51.42 H new ATOM 0 HB3 ALA A 30 10.363 3.648 4.419 1.00 51.42 H new ATOM 498 N LEU A 31 8.059 5.473 4.105 1.00 11.44 N ATOM 499 CA LEU A 31 7.242 6.367 3.224 1.00 11.21 C ATOM 500 C LEU A 31 5.916 6.804 3.909 1.00 73.22 C ATOM 501 O LEU A 31 5.166 7.615 3.354 1.00 63.41 O ATOM 502 CB LEU A 31 6.971 5.670 1.852 1.00 65.11 C ATOM 503 CG LEU A 31 8.199 5.600 0.875 1.00 4.31 C ATOM 504 CD1 LEU A 31 7.872 4.794 -0.400 1.00 50.34 C ATOM 505 CD2 LEU A 31 8.690 7.017 0.498 1.00 32.03 C ATOM 0 H LEU A 31 7.927 4.480 3.915 1.00 11.44 H new ATOM 0 HA LEU A 31 7.815 7.276 3.044 1.00 11.21 H new ATOM 0 HB2 LEU A 31 6.622 4.655 2.042 1.00 65.11 H new ATOM 0 HB3 LEU A 31 6.159 6.197 1.350 1.00 65.11 H new ATOM 0 HG LEU A 31 8.998 5.081 1.404 1.00 4.31 H new ATOM 0 HD11 LEU A 31 8.747 4.769 -1.049 1.00 50.34 H new ATOM 0 HD12 LEU A 31 7.595 3.776 -0.126 1.00 50.34 H new ATOM 0 HD13 LEU A 31 7.043 5.267 -0.927 1.00 50.34 H new ATOM 0 HD21 LEU A 31 9.541 6.939 -0.179 1.00 32.03 H new ATOM 0 HD22 LEU A 31 7.884 7.563 0.007 1.00 32.03 H new ATOM 0 HD23 LEU A 31 8.992 7.549 1.400 1.00 32.03 H new ATOM 517 N HIS A 32 5.663 6.255 5.117 1.00 35.23 N ATOM 518 CA HIS A 32 4.526 6.613 5.996 1.00 72.04 C ATOM 519 C HIS A 32 3.154 6.197 5.392 1.00 23.44 C ATOM 520 O HIS A 32 2.279 7.037 5.143 1.00 23.11 O ATOM 521 CB HIS A 32 4.564 8.121 6.402 1.00 52.04 C ATOM 522 CG HIS A 32 3.641 8.479 7.543 1.00 50.15 C ATOM 523 ND1 HIS A 32 2.359 8.954 7.362 1.00 54.22 N ATOM 524 CD2 HIS A 32 3.816 8.405 8.887 1.00 50.12 C ATOM 525 CE1 HIS A 32 1.797 9.162 8.532 1.00 1.33 C ATOM 526 NE2 HIS A 32 2.656 8.835 9.469 1.00 35.43 N ATOM 0 H HIS A 32 6.259 5.532 5.519 1.00 35.23 H new ATOM 0 HA HIS A 32 4.640 6.034 6.912 1.00 72.04 H new ATOM 0 HB2 HIS A 32 5.585 8.386 6.679 1.00 52.04 H new ATOM 0 HB3 HIS A 32 4.302 8.726 5.534 1.00 52.04 H new ATOM 0 HD2 HIS A 32 4.705 8.069 9.400 1.00 50.12 H new ATOM 0 HE1 HIS A 32 0.798 9.538 8.695 1.00 1.33 H new ATOM 0 HE2 HIS A 32 2.485 8.893 10.473 1.00 35.43 H new ATOM 535 N ILE A 33 3.004 4.890 5.130 1.00 45.22 N ATOM 536 CA ILE A 33 1.712 4.281 4.751 1.00 45.52 C ATOM 537 C ILE A 33 0.751 4.280 5.986 1.00 5.40 C ATOM 538 O ILE A 33 1.123 3.763 7.044 1.00 12.23 O ATOM 539 CB ILE A 33 1.912 2.804 4.221 1.00 11.23 C ATOM 540 CG1 ILE A 33 2.852 2.767 2.971 1.00 62.02 C ATOM 541 CG2 ILE A 33 0.558 2.116 3.903 1.00 42.43 C ATOM 542 CD1 ILE A 33 2.295 3.438 1.724 1.00 63.10 C ATOM 0 H ILE A 33 3.773 4.222 5.174 1.00 45.22 H new ATOM 0 HA ILE A 33 1.274 4.872 3.947 1.00 45.52 H new ATOM 0 HB ILE A 33 2.390 2.244 5.024 1.00 11.23 H new ATOM 0 HG12 ILE A 33 3.796 3.246 3.231 1.00 62.02 H new ATOM 0 HG13 ILE A 33 3.077 1.727 2.735 1.00 62.02 H new ATOM 0 HG21 ILE A 33 0.740 1.104 3.542 1.00 42.43 H new ATOM 0 HG22 ILE A 33 -0.050 2.075 4.807 1.00 42.43 H new ATOM 0 HG23 ILE A 33 0.032 2.685 3.137 1.00 42.43 H new ATOM 0 HD11 ILE A 33 3.020 3.359 0.914 1.00 63.10 H new ATOM 0 HD12 ILE A 33 1.367 2.947 1.430 1.00 63.10 H new ATOM 0 HD13 ILE A 33 2.098 4.489 1.934 1.00 63.10 H new ATOM 554 N PRO A 34 -0.481 4.889 5.875 1.00 23.33 N ATOM 555 CA PRO A 34 -1.489 4.937 6.993 1.00 74.13 C ATOM 556 C PRO A 34 -1.964 3.542 7.508 1.00 23.13 C ATOM 557 O PRO A 34 -2.548 3.437 8.593 1.00 52.20 O ATOM 558 CB PRO A 34 -2.674 5.732 6.366 1.00 11.52 C ATOM 559 CG PRO A 34 -2.049 6.528 5.257 1.00 1.02 C ATOM 560 CD PRO A 34 -0.976 5.631 4.682 1.00 4.42 C ATOM 0 HA PRO A 34 -1.057 5.392 7.884 1.00 74.13 H new ATOM 0 HB2 PRO A 34 -3.445 5.061 5.987 1.00 11.52 H new ATOM 0 HB3 PRO A 34 -3.149 6.381 7.101 1.00 11.52 H new ATOM 0 HG2 PRO A 34 -2.786 6.795 4.500 1.00 1.02 H new ATOM 0 HG3 PRO A 34 -1.625 7.460 5.632 1.00 1.02 H new ATOM 0 HD2 PRO A 34 -1.377 4.956 3.926 1.00 4.42 H new ATOM 0 HD3 PRO A 34 -0.181 6.206 4.207 1.00 4.42 H new ATOM 568 N PHE A 35 -1.713 2.488 6.715 1.00 24.03 N ATOM 569 CA PHE A 35 -2.092 1.089 7.042 1.00 60.12 C ATOM 570 C PHE A 35 -0.834 0.184 7.226 1.00 72.14 C ATOM 571 O PHE A 35 0.280 0.580 6.854 1.00 12.33 O ATOM 572 CB PHE A 35 -2.960 0.506 5.895 1.00 71.02 C ATOM 573 CG PHE A 35 -4.241 1.277 5.590 1.00 55.41 C ATOM 574 CD1 PHE A 35 -5.412 1.037 6.310 1.00 62.11 C ATOM 575 CD2 PHE A 35 -4.281 2.232 4.570 1.00 20.44 C ATOM 576 CE1 PHE A 35 -6.573 1.729 6.028 1.00 42.14 C ATOM 577 CE2 PHE A 35 -5.443 2.920 4.291 1.00 25.10 C ATOM 578 CZ PHE A 35 -6.590 2.667 5.015 1.00 70.15 C ATOM 0 H PHE A 35 -1.236 2.576 5.817 1.00 24.03 H new ATOM 0 HA PHE A 35 -2.650 1.105 7.978 1.00 60.12 H new ATOM 0 HB2 PHE A 35 -2.356 0.465 4.989 1.00 71.02 H new ATOM 0 HB3 PHE A 35 -3.225 -0.521 6.148 1.00 71.02 H new ATOM 0 HD1 PHE A 35 -5.410 0.300 7.099 1.00 62.11 H new ATOM 0 HD2 PHE A 35 -3.390 2.434 3.993 1.00 20.44 H new ATOM 0 HE1 PHE A 35 -7.468 1.536 6.600 1.00 42.14 H new ATOM 0 HE2 PHE A 35 -5.455 3.659 3.504 1.00 25.10 H new ATOM 0 HZ PHE A 35 -7.500 3.202 4.789 1.00 70.15 H new ATOM 588 N PRO A 36 -0.984 -1.043 7.833 1.00 23.21 N ATOM 589 CA PRO A 36 0.017 -2.135 7.680 1.00 75.12 C ATOM 590 C PRO A 36 0.121 -2.626 6.212 1.00 44.23 C ATOM 591 O PRO A 36 -0.827 -2.476 5.433 1.00 4.14 O ATOM 592 CB PRO A 36 -0.522 -3.267 8.608 1.00 42.52 C ATOM 593 CG PRO A 36 -1.437 -2.561 9.567 1.00 21.22 C ATOM 594 CD PRO A 36 -2.068 -1.433 8.773 1.00 21.51 C ATOM 0 HA PRO A 36 1.023 -1.808 7.943 1.00 75.12 H new ATOM 0 HB2 PRO A 36 -1.055 -4.028 8.038 1.00 42.52 H new ATOM 0 HB3 PRO A 36 0.290 -3.771 9.132 1.00 42.52 H new ATOM 0 HG2 PRO A 36 -2.196 -3.239 9.956 1.00 21.22 H new ATOM 0 HG3 PRO A 36 -0.885 -2.176 10.424 1.00 21.22 H new ATOM 0 HD2 PRO A 36 -2.963 -1.762 8.244 1.00 21.51 H new ATOM 0 HD3 PRO A 36 -2.364 -0.603 9.415 1.00 21.51 H new ATOM 602 N VAL A 37 1.265 -3.238 5.861 1.00 44.22 N ATOM 603 CA VAL A 37 1.553 -3.752 4.492 1.00 51.34 C ATOM 604 C VAL A 37 0.480 -4.738 3.982 1.00 73.32 C ATOM 605 O VAL A 37 -0.028 -4.593 2.863 1.00 2.33 O ATOM 606 CB VAL A 37 2.965 -4.448 4.459 1.00 11.11 C ATOM 607 CG1 VAL A 37 3.266 -5.155 3.115 1.00 52.23 C ATOM 608 CG2 VAL A 37 4.061 -3.426 4.790 1.00 23.42 C ATOM 0 H VAL A 37 2.029 -3.396 6.518 1.00 44.22 H new ATOM 0 HA VAL A 37 1.543 -2.889 3.827 1.00 51.34 H new ATOM 0 HB VAL A 37 2.951 -5.230 5.218 1.00 11.11 H new ATOM 0 HG11 VAL A 37 4.254 -5.614 3.159 1.00 52.23 H new ATOM 0 HG12 VAL A 37 2.516 -5.925 2.933 1.00 52.23 H new ATOM 0 HG13 VAL A 37 3.241 -4.425 2.306 1.00 52.23 H new ATOM 0 HG21 VAL A 37 5.035 -3.916 4.765 1.00 23.42 H new ATOM 0 HG22 VAL A 37 4.041 -2.620 4.056 1.00 23.42 H new ATOM 0 HG23 VAL A 37 3.887 -3.015 5.784 1.00 23.42 H new ATOM 618 N GLU A 38 0.127 -5.733 4.820 1.00 73.34 N ATOM 619 CA GLU A 38 -0.830 -6.788 4.433 1.00 71.31 C ATOM 620 C GLU A 38 -2.275 -6.250 4.275 1.00 2.22 C ATOM 621 O GLU A 38 -3.103 -6.902 3.662 1.00 44.34 O ATOM 622 CB GLU A 38 -0.776 -7.977 5.427 1.00 70.32 C ATOM 623 CG GLU A 38 -1.467 -9.270 4.911 1.00 43.11 C ATOM 624 CD GLU A 38 -1.285 -10.496 5.822 1.00 32.30 C ATOM 625 OE1 GLU A 38 -0.216 -10.633 6.467 1.00 13.25 O ATOM 626 OE2 GLU A 38 -2.181 -11.365 5.850 1.00 20.14 O ATOM 0 H GLU A 38 0.490 -5.828 5.768 1.00 73.34 H new ATOM 0 HA GLU A 38 -0.525 -7.150 3.451 1.00 71.31 H new ATOM 0 HB2 GLU A 38 0.267 -8.201 5.652 1.00 70.32 H new ATOM 0 HB3 GLU A 38 -1.247 -7.675 6.363 1.00 70.32 H new ATOM 0 HG2 GLU A 38 -2.533 -9.075 4.793 1.00 43.11 H new ATOM 0 HG3 GLU A 38 -1.075 -9.507 3.922 1.00 43.11 H new ATOM 633 N LYS A 39 -2.565 -5.055 4.825 1.00 30.00 N ATOM 634 CA LYS A 39 -3.866 -4.367 4.621 1.00 54.30 C ATOM 635 C LYS A 39 -4.019 -3.943 3.126 1.00 1.23 C ATOM 636 O LYS A 39 -5.105 -4.031 2.548 1.00 24.15 O ATOM 637 CB LYS A 39 -3.983 -3.131 5.583 1.00 50.40 C ATOM 638 CG LYS A 39 -5.289 -3.060 6.407 1.00 3.55 C ATOM 639 CD LYS A 39 -6.562 -2.919 5.539 1.00 60.00 C ATOM 640 CE LYS A 39 -7.855 -2.929 6.374 1.00 3.41 C ATOM 641 NZ LYS A 39 -8.042 -4.208 7.112 1.00 32.14 N ATOM 0 H LYS A 39 -1.915 -4.539 5.418 1.00 30.00 H new ATOM 0 HA LYS A 39 -4.677 -5.054 4.861 1.00 54.30 H new ATOM 0 HB2 LYS A 39 -3.138 -3.145 6.272 1.00 50.40 H new ATOM 0 HB3 LYS A 39 -3.896 -2.220 4.991 1.00 50.40 H new ATOM 0 HG2 LYS A 39 -5.373 -3.959 7.017 1.00 3.55 H new ATOM 0 HG3 LYS A 39 -5.231 -2.214 7.092 1.00 3.55 H new ATOM 0 HD2 LYS A 39 -6.508 -1.990 4.971 1.00 60.00 H new ATOM 0 HD3 LYS A 39 -6.595 -3.734 4.815 1.00 60.00 H new ATOM 0 HE2 LYS A 39 -7.832 -2.102 7.084 1.00 3.41 H new ATOM 0 HE3 LYS A 39 -8.710 -2.762 5.718 1.00 3.41 H new ATOM 0 HZ1 LYS A 39 -8.992 -4.229 7.535 1.00 32.14 H new ATOM 0 HZ2 LYS A 39 -7.938 -5.007 6.454 1.00 32.14 H new ATOM 0 HZ3 LYS A 39 -7.327 -4.283 7.863 1.00 32.14 H new ATOM 655 N ILE A 40 -2.897 -3.498 2.525 1.00 53.34 N ATOM 656 CA ILE A 40 -2.807 -3.167 1.080 1.00 33.14 C ATOM 657 C ILE A 40 -2.812 -4.473 0.232 1.00 21.11 C ATOM 658 O ILE A 40 -3.493 -4.549 -0.794 1.00 25.52 O ATOM 659 CB ILE A 40 -1.511 -2.291 0.751 1.00 74.20 C ATOM 660 CG1 ILE A 40 -1.596 -0.844 1.351 1.00 24.33 C ATOM 661 CG2 ILE A 40 -1.242 -2.198 -0.767 1.00 70.34 C ATOM 662 CD1 ILE A 40 -1.505 -0.745 2.853 1.00 31.12 C ATOM 0 H ILE A 40 -2.021 -3.356 3.027 1.00 53.34 H new ATOM 0 HA ILE A 40 -3.679 -2.567 0.820 1.00 33.14 H new ATOM 0 HB ILE A 40 -0.680 -2.814 1.225 1.00 74.20 H new ATOM 0 HG12 ILE A 40 -0.795 -0.245 0.918 1.00 24.33 H new ATOM 0 HG13 ILE A 40 -2.537 -0.395 1.033 1.00 24.33 H new ATOM 0 HG21 ILE A 40 -0.352 -1.593 -0.942 1.00 70.34 H new ATOM 0 HG22 ILE A 40 -1.086 -3.198 -1.171 1.00 70.34 H new ATOM 0 HG23 ILE A 40 -2.097 -1.736 -1.260 1.00 70.34 H new ATOM 0 HD11 ILE A 40 -1.575 0.300 3.154 1.00 31.12 H new ATOM 0 HD12 ILE A 40 -2.322 -1.308 3.305 1.00 31.12 H new ATOM 0 HD13 ILE A 40 -0.552 -1.156 3.188 1.00 31.12 H new ATOM 674 N ILE A 41 -2.046 -5.492 0.693 1.00 23.24 N ATOM 675 CA ILE A 41 -1.961 -6.830 0.037 1.00 51.34 C ATOM 676 C ILE A 41 -3.339 -7.548 -0.015 1.00 53.53 C ATOM 677 O ILE A 41 -3.692 -8.150 -1.032 1.00 52.25 O ATOM 678 CB ILE A 41 -0.930 -7.773 0.785 1.00 70.41 C ATOM 679 CG1 ILE A 41 0.526 -7.231 0.665 1.00 70.51 C ATOM 680 CG2 ILE A 41 -1.007 -9.240 0.287 1.00 41.21 C ATOM 681 CD1 ILE A 41 1.591 -8.057 1.380 1.00 61.42 C ATOM 0 H ILE A 41 -1.468 -5.414 1.530 1.00 23.24 H new ATOM 0 HA ILE A 41 -1.621 -6.644 -0.982 1.00 51.34 H new ATOM 0 HB ILE A 41 -1.213 -7.769 1.838 1.00 70.41 H new ATOM 0 HG12 ILE A 41 0.787 -7.169 -0.391 1.00 70.51 H new ATOM 0 HG13 ILE A 41 0.552 -6.215 1.060 1.00 70.51 H new ATOM 0 HG21 ILE A 41 -0.282 -9.847 0.829 1.00 41.21 H new ATOM 0 HG22 ILE A 41 -2.010 -9.631 0.461 1.00 41.21 H new ATOM 0 HG23 ILE A 41 -0.784 -9.274 -0.779 1.00 41.21 H new ATOM 0 HD11 ILE A 41 2.568 -7.595 1.235 1.00 61.42 H new ATOM 0 HD12 ILE A 41 1.364 -8.099 2.445 1.00 61.42 H new ATOM 0 HD13 ILE A 41 1.603 -9.067 0.971 1.00 61.42 H new ATOM 693 N ASN A 42 -4.103 -7.468 1.088 1.00 5.13 N ATOM 694 CA ASN A 42 -5.335 -8.268 1.283 1.00 32.53 C ATOM 695 C ASN A 42 -6.480 -7.700 0.417 1.00 51.22 C ATOM 696 O ASN A 42 -7.250 -8.458 -0.186 1.00 74.01 O ATOM 697 CB ASN A 42 -5.738 -8.279 2.792 1.00 4.14 C ATOM 698 CG ASN A 42 -6.599 -9.469 3.253 1.00 3.44 C ATOM 699 OD1 ASN A 42 -6.609 -9.804 4.430 1.00 10.03 O ATOM 700 ND2 ASN A 42 -7.295 -10.145 2.357 1.00 21.44 N ATOM 0 H ASN A 42 -3.889 -6.850 1.871 1.00 5.13 H new ATOM 0 HA ASN A 42 -5.143 -9.295 0.971 1.00 32.53 H new ATOM 0 HB2 ASN A 42 -4.827 -8.262 3.391 1.00 4.14 H new ATOM 0 HB3 ASN A 42 -6.280 -7.359 3.009 1.00 4.14 H new ATOM 0 HD21 ASN A 42 -7.847 -10.953 2.644 1.00 21.44 H new ATOM 0 HD22 ASN A 42 -7.281 -9.859 1.378 1.00 21.44 H new ATOM 707 N LEU A 43 -6.559 -6.367 0.362 1.00 24.32 N ATOM 708 CA LEU A 43 -7.510 -5.645 -0.500 1.00 11.30 C ATOM 709 C LEU A 43 -7.081 -5.723 -1.995 1.00 20.10 C ATOM 710 O LEU A 43 -6.005 -5.222 -2.354 1.00 41.40 O ATOM 711 CB LEU A 43 -7.621 -4.166 -0.033 1.00 31.04 C ATOM 712 CG LEU A 43 -8.292 -3.951 1.366 1.00 62.24 C ATOM 713 CD1 LEU A 43 -8.191 -2.481 1.835 1.00 0.22 C ATOM 714 CD2 LEU A 43 -9.766 -4.431 1.351 1.00 10.24 C ATOM 0 H LEU A 43 -5.963 -5.752 0.916 1.00 24.32 H new ATOM 0 HA LEU A 43 -8.488 -6.118 -0.414 1.00 11.30 H new ATOM 0 HB2 LEU A 43 -6.620 -3.735 -0.007 1.00 31.04 H new ATOM 0 HB3 LEU A 43 -8.189 -3.609 -0.779 1.00 31.04 H new ATOM 0 HG LEU A 43 -7.742 -4.557 2.087 1.00 62.24 H new ATOM 0 HD11 LEU A 43 -8.669 -2.376 2.809 1.00 0.22 H new ATOM 0 HD12 LEU A 43 -7.142 -2.195 1.913 1.00 0.22 H new ATOM 0 HD13 LEU A 43 -8.691 -1.834 1.114 1.00 0.22 H new ATOM 0 HD21 LEU A 43 -10.211 -4.271 2.333 1.00 10.24 H new ATOM 0 HD22 LEU A 43 -10.325 -3.867 0.604 1.00 10.24 H new ATOM 0 HD23 LEU A 43 -9.801 -5.492 1.105 1.00 10.24 H new ATOM 726 N PRO A 44 -7.899 -6.386 -2.890 1.00 74.34 N ATOM 727 CA PRO A 44 -7.616 -6.452 -4.356 1.00 11.55 C ATOM 728 C PRO A 44 -7.535 -5.041 -5.000 1.00 0.55 C ATOM 729 O PRO A 44 -8.124 -4.101 -4.475 1.00 20.23 O ATOM 730 CB PRO A 44 -8.811 -7.279 -4.919 1.00 24.14 C ATOM 731 CG PRO A 44 -9.346 -8.037 -3.736 1.00 55.12 C ATOM 732 CD PRO A 44 -9.149 -7.121 -2.551 1.00 71.12 C ATOM 0 HA PRO A 44 -6.649 -6.904 -4.575 1.00 11.55 H new ATOM 0 HB2 PRO A 44 -9.573 -6.630 -5.350 1.00 24.14 H new ATOM 0 HB3 PRO A 44 -8.486 -7.956 -5.709 1.00 24.14 H new ATOM 0 HG2 PRO A 44 -10.399 -8.284 -3.871 1.00 55.12 H new ATOM 0 HG3 PRO A 44 -8.813 -8.978 -3.598 1.00 55.12 H new ATOM 0 HD2 PRO A 44 -9.992 -6.442 -2.423 1.00 71.12 H new ATOM 0 HD3 PRO A 44 -9.047 -7.682 -1.622 1.00 71.12 H new ATOM 740 N VAL A 45 -6.829 -4.914 -6.145 1.00 53.04 N ATOM 741 CA VAL A 45 -6.507 -3.595 -6.767 1.00 13.52 C ATOM 742 C VAL A 45 -7.767 -2.745 -7.070 1.00 12.25 C ATOM 743 O VAL A 45 -7.776 -1.548 -6.802 1.00 4.11 O ATOM 744 CB VAL A 45 -5.620 -3.761 -8.067 1.00 32.11 C ATOM 745 CG1 VAL A 45 -5.391 -2.413 -8.808 1.00 24.04 C ATOM 746 CG2 VAL A 45 -4.266 -4.416 -7.705 1.00 14.53 C ATOM 0 H VAL A 45 -6.465 -5.712 -6.667 1.00 53.04 H new ATOM 0 HA VAL A 45 -5.927 -3.050 -6.023 1.00 13.52 H new ATOM 0 HB VAL A 45 -6.166 -4.410 -8.752 1.00 32.11 H new ATOM 0 HG11 VAL A 45 -4.777 -2.584 -9.692 1.00 24.04 H new ATOM 0 HG12 VAL A 45 -6.352 -1.995 -9.109 1.00 24.04 H new ATOM 0 HG13 VAL A 45 -4.884 -1.714 -8.143 1.00 24.04 H new ATOM 0 HG21 VAL A 45 -3.663 -4.526 -8.606 1.00 14.53 H new ATOM 0 HG22 VAL A 45 -3.737 -3.787 -6.989 1.00 14.53 H new ATOM 0 HG23 VAL A 45 -4.443 -5.397 -7.265 1.00 14.53 H new ATOM 756 N VAL A 46 -8.827 -3.382 -7.581 1.00 63.23 N ATOM 757 CA VAL A 46 -10.113 -2.700 -7.886 1.00 62.12 C ATOM 758 C VAL A 46 -10.786 -2.152 -6.588 1.00 33.52 C ATOM 759 O VAL A 46 -11.227 -0.997 -6.542 1.00 24.51 O ATOM 760 CB VAL A 46 -11.092 -3.680 -8.639 1.00 64.42 C ATOM 761 CG1 VAL A 46 -12.455 -3.021 -8.955 1.00 54.30 C ATOM 762 CG2 VAL A 46 -10.439 -4.224 -9.934 1.00 0.35 C ATOM 0 H VAL A 46 -8.829 -4.379 -7.798 1.00 63.23 H new ATOM 0 HA VAL A 46 -9.895 -1.852 -8.536 1.00 62.12 H new ATOM 0 HB VAL A 46 -11.285 -4.514 -7.965 1.00 64.42 H new ATOM 0 HG11 VAL A 46 -13.093 -3.736 -9.474 1.00 54.30 H new ATOM 0 HG12 VAL A 46 -12.935 -2.714 -8.026 1.00 54.30 H new ATOM 0 HG13 VAL A 46 -12.299 -2.148 -9.589 1.00 54.30 H new ATOM 0 HG21 VAL A 46 -11.133 -4.898 -10.436 1.00 0.35 H new ATOM 0 HG22 VAL A 46 -10.197 -3.393 -10.596 1.00 0.35 H new ATOM 0 HG23 VAL A 46 -9.527 -4.765 -9.682 1.00 0.35 H new ATOM 772 N ASP A 47 -10.810 -2.993 -5.537 1.00 45.41 N ATOM 773 CA ASP A 47 -11.416 -2.660 -4.220 1.00 1.10 C ATOM 774 C ASP A 47 -10.608 -1.573 -3.455 1.00 62.14 C ATOM 775 O ASP A 47 -11.182 -0.690 -2.808 1.00 23.12 O ATOM 776 CB ASP A 47 -11.513 -3.951 -3.362 1.00 53.02 C ATOM 777 CG ASP A 47 -12.402 -5.031 -4.000 1.00 71.22 C ATOM 778 OD1 ASP A 47 -11.939 -5.725 -4.935 1.00 0.10 O ATOM 779 OD2 ASP A 47 -13.570 -5.192 -3.576 1.00 35.40 O ATOM 0 H ASP A 47 -10.409 -3.930 -5.571 1.00 45.41 H new ATOM 0 HA ASP A 47 -12.410 -2.250 -4.403 1.00 1.10 H new ATOM 0 HB2 ASP A 47 -10.512 -4.355 -3.210 1.00 53.02 H new ATOM 0 HB3 ASP A 47 -11.908 -3.698 -2.378 1.00 53.02 H new ATOM 784 N PHE A 48 -9.269 -1.667 -3.530 1.00 22.42 N ATOM 785 CA PHE A 48 -8.353 -0.742 -2.837 1.00 21.15 C ATOM 786 C PHE A 48 -8.306 0.638 -3.544 1.00 71.23 C ATOM 787 O PHE A 48 -8.255 1.674 -2.886 1.00 13.43 O ATOM 788 CB PHE A 48 -6.928 -1.359 -2.727 1.00 54.52 C ATOM 789 CG PHE A 48 -5.989 -0.524 -1.850 1.00 71.21 C ATOM 790 CD1 PHE A 48 -6.017 -0.651 -0.459 1.00 1.11 C ATOM 791 CD2 PHE A 48 -5.123 0.419 -2.403 1.00 12.04 C ATOM 792 CE1 PHE A 48 -5.218 0.135 0.349 1.00 3.30 C ATOM 793 CE2 PHE A 48 -4.336 1.213 -1.594 1.00 10.42 C ATOM 794 CZ PHE A 48 -4.372 1.065 -0.221 1.00 10.30 C ATOM 0 H PHE A 48 -8.791 -2.386 -4.073 1.00 22.42 H new ATOM 0 HA PHE A 48 -8.736 -0.584 -1.829 1.00 21.15 H new ATOM 0 HB2 PHE A 48 -7.003 -2.366 -2.316 1.00 54.52 H new ATOM 0 HB3 PHE A 48 -6.499 -1.453 -3.725 1.00 54.52 H new ATOM 0 HD1 PHE A 48 -6.676 -1.377 -0.007 1.00 1.11 H new ATOM 0 HD2 PHE A 48 -5.068 0.529 -3.476 1.00 12.04 H new ATOM 0 HE1 PHE A 48 -5.255 0.022 1.422 1.00 3.30 H new ATOM 0 HE2 PHE A 48 -3.688 1.955 -2.037 1.00 10.42 H new ATOM 0 HZ PHE A 48 -3.739 1.676 0.406 1.00 10.30 H new ATOM 804 N ASN A 49 -8.315 0.635 -4.894 1.00 12.43 N ATOM 805 CA ASN A 49 -8.341 1.880 -5.712 1.00 1.44 C ATOM 806 C ASN A 49 -9.696 2.612 -5.598 1.00 34.30 C ATOM 807 O ASN A 49 -9.759 3.825 -5.789 1.00 22.51 O ATOM 808 CB ASN A 49 -7.982 1.595 -7.195 1.00 44.43 C ATOM 809 CG ASN A 49 -6.488 1.309 -7.411 1.00 71.21 C ATOM 810 OD1 ASN A 49 -5.781 0.866 -6.514 1.00 52.53 O ATOM 811 ND2 ASN A 49 -5.999 1.549 -8.604 1.00 45.44 N ATOM 0 H ASN A 49 -8.305 -0.220 -5.450 1.00 12.43 H new ATOM 0 HA ASN A 49 -7.576 2.543 -5.308 1.00 1.44 H new ATOM 0 HB2 ASN A 49 -8.563 0.742 -7.545 1.00 44.43 H new ATOM 0 HB3 ASN A 49 -8.273 2.451 -7.804 1.00 44.43 H new ATOM 0 HD21 ASN A 49 -5.014 1.367 -8.798 1.00 45.44 H new ATOM 0 HD22 ASN A 49 -6.603 1.918 -9.338 1.00 45.44 H new ATOM 818 N GLU A 50 -10.774 1.852 -5.319 1.00 23.12 N ATOM 819 CA GLU A 50 -12.096 2.415 -4.950 1.00 4.54 C ATOM 820 C GLU A 50 -11.965 3.324 -3.694 1.00 23.53 C ATOM 821 O GLU A 50 -12.486 4.446 -3.662 1.00 4.02 O ATOM 822 CB GLU A 50 -13.102 1.256 -4.685 1.00 1.21 C ATOM 823 CG GLU A 50 -14.559 1.683 -4.375 1.00 4.15 C ATOM 824 CD GLU A 50 -15.326 2.219 -5.600 1.00 21.53 C ATOM 825 OE1 GLU A 50 -15.216 3.420 -5.923 1.00 3.43 O ATOM 826 OE2 GLU A 50 -16.051 1.435 -6.246 1.00 3.34 O ATOM 0 H GLU A 50 -10.757 0.832 -5.342 1.00 23.12 H new ATOM 0 HA GLU A 50 -12.468 3.025 -5.773 1.00 4.54 H new ATOM 0 HB2 GLU A 50 -13.113 0.603 -5.558 1.00 1.21 H new ATOM 0 HB3 GLU A 50 -12.732 0.663 -3.849 1.00 1.21 H new ATOM 0 HG2 GLU A 50 -15.098 0.829 -3.966 1.00 4.15 H new ATOM 0 HG3 GLU A 50 -14.546 2.451 -3.602 1.00 4.15 H new ATOM 833 N MET A 51 -11.235 2.817 -2.672 1.00 1.32 N ATOM 834 CA MET A 51 -10.887 3.588 -1.448 1.00 2.33 C ATOM 835 C MET A 51 -9.961 4.786 -1.786 1.00 72.32 C ATOM 836 O MET A 51 -10.200 5.909 -1.344 1.00 35.20 O ATOM 837 CB MET A 51 -10.192 2.662 -0.402 1.00 73.53 C ATOM 838 CG MET A 51 -9.819 3.343 0.932 1.00 51.22 C ATOM 839 SD MET A 51 -8.820 2.293 2.018 1.00 12.34 S ATOM 840 CE MET A 51 -9.905 0.890 2.303 1.00 70.31 C ATOM 0 H MET A 51 -10.870 1.864 -2.670 1.00 1.32 H new ATOM 0 HA MET A 51 -11.813 3.977 -1.024 1.00 2.33 H new ATOM 0 HB2 MET A 51 -10.852 1.821 -0.190 1.00 73.53 H new ATOM 0 HB3 MET A 51 -9.286 2.252 -0.848 1.00 73.53 H new ATOM 0 HG2 MET A 51 -9.271 4.262 0.722 1.00 51.22 H new ATOM 0 HG3 MET A 51 -10.732 3.629 1.454 1.00 51.22 H new ATOM 0 HE1 MET A 51 -9.479 0.252 3.077 1.00 70.31 H new ATOM 0 HE2 MET A 51 -10.884 1.246 2.625 1.00 70.31 H new ATOM 0 HE3 MET A 51 -10.012 0.319 1.380 1.00 70.31 H new ATOM 850 N MET A 52 -8.926 4.517 -2.605 1.00 30.12 N ATOM 851 CA MET A 52 -7.890 5.504 -3.007 1.00 12.55 C ATOM 852 C MET A 52 -8.476 6.686 -3.827 1.00 10.43 C ATOM 853 O MET A 52 -7.933 7.792 -3.794 1.00 75.31 O ATOM 854 CB MET A 52 -6.758 4.754 -3.778 1.00 13.43 C ATOM 855 CG MET A 52 -5.638 5.630 -4.386 1.00 3.12 C ATOM 856 SD MET A 52 -6.163 6.492 -5.894 1.00 43.31 S ATOM 857 CE MET A 52 -4.703 7.415 -6.369 1.00 4.51 C ATOM 0 H MET A 52 -8.779 3.595 -3.015 1.00 30.12 H new ATOM 0 HA MET A 52 -7.473 5.962 -2.110 1.00 12.55 H new ATOM 0 HB2 MET A 52 -6.299 4.038 -3.097 1.00 13.43 H new ATOM 0 HB3 MET A 52 -7.217 4.180 -4.583 1.00 13.43 H new ATOM 0 HG2 MET A 52 -5.315 6.363 -3.647 1.00 3.12 H new ATOM 0 HG3 MET A 52 -4.775 5.004 -4.612 1.00 3.12 H new ATOM 0 HE1 MET A 52 -5.001 8.375 -6.790 1.00 4.51 H new ATOM 0 HE2 MET A 52 -4.077 7.582 -5.492 1.00 4.51 H new ATOM 0 HE3 MET A 52 -4.142 6.850 -7.114 1.00 4.51 H new ATOM 867 N SER A 53 -9.597 6.450 -4.535 1.00 23.13 N ATOM 868 CA SER A 53 -10.292 7.502 -5.326 1.00 43.34 C ATOM 869 C SER A 53 -10.823 8.657 -4.437 1.00 25.44 C ATOM 870 O SER A 53 -11.022 9.780 -4.921 1.00 60.15 O ATOM 871 CB SER A 53 -11.455 6.884 -6.142 1.00 74.41 C ATOM 872 OG SER A 53 -10.983 5.958 -7.110 1.00 33.34 O ATOM 0 H SER A 53 -10.048 5.536 -4.580 1.00 23.13 H new ATOM 0 HA SER A 53 -9.555 7.927 -6.007 1.00 43.34 H new ATOM 0 HB2 SER A 53 -12.148 6.383 -5.466 1.00 74.41 H new ATOM 0 HB3 SER A 53 -12.013 7.678 -6.639 1.00 74.41 H new ATOM 0 HG SER A 53 -10.549 5.205 -6.658 1.00 33.34 H new ATOM 878 N LYS A 54 -11.064 8.370 -3.139 1.00 5.33 N ATOM 879 CA LYS A 54 -11.541 9.376 -2.158 1.00 13.25 C ATOM 880 C LYS A 54 -10.441 9.678 -1.117 1.00 11.24 C ATOM 881 O LYS A 54 -10.081 10.842 -0.890 1.00 53.23 O ATOM 882 CB LYS A 54 -12.852 8.868 -1.495 1.00 34.23 C ATOM 883 CG LYS A 54 -13.969 8.511 -2.514 1.00 40.45 C ATOM 884 CD LYS A 54 -14.413 9.722 -3.381 1.00 63.33 C ATOM 885 CE LYS A 54 -15.230 9.307 -4.623 1.00 22.04 C ATOM 886 NZ LYS A 54 -16.442 8.514 -4.288 1.00 54.41 N ATOM 0 H LYS A 54 -10.935 7.440 -2.741 1.00 5.33 H new ATOM 0 HA LYS A 54 -11.762 10.314 -2.667 1.00 13.25 H new ATOM 0 HB2 LYS A 54 -12.627 7.988 -0.893 1.00 34.23 H new ATOM 0 HB3 LYS A 54 -13.225 9.633 -0.814 1.00 34.23 H new ATOM 0 HG2 LYS A 54 -13.615 7.714 -3.168 1.00 40.45 H new ATOM 0 HG3 LYS A 54 -14.833 8.121 -1.975 1.00 40.45 H new ATOM 0 HD2 LYS A 54 -15.010 10.400 -2.770 1.00 63.33 H new ATOM 0 HD3 LYS A 54 -13.530 10.275 -3.702 1.00 63.33 H new ATOM 0 HE2 LYS A 54 -15.529 10.202 -5.169 1.00 22.04 H new ATOM 0 HE3 LYS A 54 -14.595 8.724 -5.290 1.00 22.04 H new ATOM 0 HZ1 LYS A 54 -16.965 8.295 -5.160 1.00 54.41 H new ATOM 0 HZ2 LYS A 54 -16.159 7.628 -3.822 1.00 54.41 H new ATOM 0 HZ3 LYS A 54 -17.050 9.063 -3.648 1.00 54.41 H new ATOM 900 N GLU A 55 -9.913 8.615 -0.487 1.00 62.13 N ATOM 901 CA GLU A 55 -8.728 8.691 0.398 1.00 52.14 C ATOM 902 C GLU A 55 -7.437 8.448 -0.420 1.00 34.23 C ATOM 903 O GLU A 55 -6.867 7.345 -0.418 1.00 32.45 O ATOM 904 CB GLU A 55 -8.834 7.671 1.574 1.00 13.21 C ATOM 905 CG GLU A 55 -9.904 7.988 2.648 1.00 5.23 C ATOM 906 CD GLU A 55 -11.343 8.040 2.105 1.00 52.24 C ATOM 907 OE1 GLU A 55 -11.851 6.997 1.640 1.00 33.31 O ATOM 908 OE2 GLU A 55 -11.974 9.121 2.134 1.00 34.14 O ATOM 0 H GLU A 55 -10.294 7.673 -0.575 1.00 62.13 H new ATOM 0 HA GLU A 55 -8.689 9.691 0.830 1.00 52.14 H new ATOM 0 HB2 GLU A 55 -9.045 6.686 1.158 1.00 13.21 H new ATOM 0 HB3 GLU A 55 -7.862 7.608 2.064 1.00 13.21 H new ATOM 0 HG2 GLU A 55 -9.850 7.233 3.433 1.00 5.23 H new ATOM 0 HG3 GLU A 55 -9.667 8.946 3.110 1.00 5.23 H new ATOM 915 N GLN A 56 -7.009 9.484 -1.157 1.00 73.35 N ATOM 916 CA GLN A 56 -5.805 9.425 -2.007 1.00 74.00 C ATOM 917 C GLN A 56 -4.520 9.589 -1.161 1.00 62.14 C ATOM 918 O GLN A 56 -4.437 10.462 -0.289 1.00 62.43 O ATOM 919 CB GLN A 56 -5.877 10.509 -3.116 1.00 71.42 C ATOM 920 CG GLN A 56 -4.655 10.546 -4.057 1.00 22.13 C ATOM 921 CD GLN A 56 -4.762 11.606 -5.154 1.00 35.24 C ATOM 922 OE1 GLN A 56 -5.244 11.337 -6.250 1.00 20.14 O ATOM 923 NE2 GLN A 56 -4.336 12.823 -4.864 1.00 10.31 N ATOM 0 H GLN A 56 -7.485 10.386 -1.182 1.00 73.35 H new ATOM 0 HA GLN A 56 -5.768 8.444 -2.482 1.00 74.00 H new ATOM 0 HB2 GLN A 56 -6.774 10.341 -3.713 1.00 71.42 H new ATOM 0 HB3 GLN A 56 -5.986 11.486 -2.645 1.00 71.42 H new ATOM 0 HG2 GLN A 56 -3.758 10.734 -3.467 1.00 22.13 H new ATOM 0 HG3 GLN A 56 -4.533 9.567 -4.520 1.00 22.13 H new ATOM 0 HE21 GLN A 56 -3.940 13.019 -3.945 1.00 10.31 H new ATOM 0 HE22 GLN A 56 -4.404 13.566 -5.559 1.00 10.31 H new ATOM 932 N PHE A 57 -3.523 8.739 -1.437 1.00 21.10 N ATOM 933 CA PHE A 57 -2.222 8.756 -0.739 1.00 54.21 C ATOM 934 C PHE A 57 -1.222 9.647 -1.508 1.00 61.14 C ATOM 935 O PHE A 57 -1.524 10.126 -2.612 1.00 74.31 O ATOM 936 CB PHE A 57 -1.692 7.301 -0.604 1.00 3.00 C ATOM 937 CG PHE A 57 -2.719 6.335 0.006 1.00 0.02 C ATOM 938 CD1 PHE A 57 -3.649 5.665 -0.805 1.00 75.31 C ATOM 939 CD2 PHE A 57 -2.773 6.111 1.381 1.00 35.25 C ATOM 940 CE1 PHE A 57 -4.582 4.804 -0.256 1.00 72.23 C ATOM 941 CE2 PHE A 57 -3.708 5.251 1.925 1.00 22.31 C ATOM 942 CZ PHE A 57 -4.612 4.598 1.109 1.00 42.14 C ATOM 0 H PHE A 57 -3.592 8.016 -2.153 1.00 21.10 H new ATOM 0 HA PHE A 57 -2.343 9.175 0.260 1.00 54.21 H new ATOM 0 HB2 PHE A 57 -1.399 6.935 -1.588 1.00 3.00 H new ATOM 0 HB3 PHE A 57 -0.794 7.304 0.015 1.00 3.00 H new ATOM 0 HD1 PHE A 57 -3.636 5.824 -1.873 1.00 75.31 H new ATOM 0 HD2 PHE A 57 -2.074 6.617 2.030 1.00 35.25 H new ATOM 0 HE1 PHE A 57 -5.287 4.293 -0.895 1.00 72.23 H new ATOM 0 HE2 PHE A 57 -3.732 5.089 2.992 1.00 22.31 H new ATOM 0 HZ PHE A 57 -5.341 3.927 1.538 1.00 42.14 H new ATOM 952 N ASN A 58 -0.035 9.875 -0.920 1.00 22.14 N ATOM 953 CA ASN A 58 1.043 10.655 -1.577 1.00 61.21 C ATOM 954 C ASN A 58 1.641 9.857 -2.760 1.00 43.53 C ATOM 955 O ASN A 58 1.576 8.633 -2.765 1.00 4.23 O ATOM 956 CB ASN A 58 2.135 11.014 -0.544 1.00 12.12 C ATOM 957 CG ASN A 58 1.615 11.919 0.580 1.00 50.44 C ATOM 958 OD1 ASN A 58 1.045 11.331 1.615 1.00 45.50 O flip ATOM 959 ND2 ASN A 58 1.708 13.143 0.515 1.00 11.24 N flip ATOM 0 H ASN A 58 0.208 9.532 0.010 1.00 22.14 H new ATOM 0 HA ASN A 58 0.624 11.580 -1.973 1.00 61.21 H new ATOM 0 HB2 ASN A 58 2.534 10.097 -0.111 1.00 12.12 H new ATOM 0 HB3 ASN A 58 2.960 11.512 -1.053 1.00 12.12 H new ATOM 0 HD21 ASN A 58 2.152 13.579 -0.293 1.00 11.24 H new ATOM 0 HD22 ASN A 58 1.341 13.723 1.269 1.00 11.24 H new ATOM 966 N GLU A 59 2.230 10.563 -3.749 1.00 41.43 N ATOM 967 CA GLU A 59 2.691 9.944 -5.033 1.00 65.31 C ATOM 968 C GLU A 59 3.718 8.779 -4.837 1.00 1.43 C ATOM 969 O GLU A 59 3.670 7.778 -5.561 1.00 64.54 O ATOM 970 CB GLU A 59 3.225 11.034 -6.037 1.00 3.34 C ATOM 971 CG GLU A 59 3.978 12.242 -5.428 1.00 45.23 C ATOM 972 CD GLU A 59 5.225 11.872 -4.605 1.00 11.24 C ATOM 973 OE1 GLU A 59 6.272 11.548 -5.201 1.00 52.14 O ATOM 974 OE2 GLU A 59 5.164 11.896 -3.352 1.00 23.11 O ATOM 0 H GLU A 59 2.403 11.567 -3.692 1.00 41.43 H new ATOM 0 HA GLU A 59 1.809 9.481 -5.476 1.00 65.31 H new ATOM 0 HB2 GLU A 59 3.890 10.543 -6.747 1.00 3.34 H new ATOM 0 HB3 GLU A 59 2.377 11.415 -6.606 1.00 3.34 H new ATOM 0 HG2 GLU A 59 4.277 12.911 -6.235 1.00 45.23 H new ATOM 0 HG3 GLU A 59 3.290 12.798 -4.791 1.00 45.23 H new ATOM 981 N ALA A 60 4.614 8.909 -3.833 1.00 23.42 N ATOM 982 CA ALA A 60 5.603 7.859 -3.480 1.00 23.14 C ATOM 983 C ALA A 60 4.944 6.683 -2.716 1.00 53.35 C ATOM 984 O ALA A 60 5.346 5.527 -2.882 1.00 73.43 O ATOM 985 CB ALA A 60 6.757 8.464 -2.664 1.00 52.30 C ATOM 0 H ALA A 60 4.674 9.740 -3.245 1.00 23.42 H new ATOM 0 HA ALA A 60 6.006 7.455 -4.409 1.00 23.14 H new ATOM 0 HB1 ALA A 60 7.474 7.682 -2.413 1.00 52.30 H new ATOM 0 HB2 ALA A 60 7.253 9.236 -3.252 1.00 52.30 H new ATOM 0 HB3 ALA A 60 6.363 8.903 -1.748 1.00 52.30 H new ATOM 991 N GLN A 61 3.937 7.001 -1.875 1.00 5.22 N ATOM 992 CA GLN A 61 3.087 5.988 -1.197 1.00 65.04 C ATOM 993 C GLN A 61 2.287 5.147 -2.222 1.00 42.13 C ATOM 994 O GLN A 61 2.154 3.943 -2.056 1.00 41.10 O ATOM 995 CB GLN A 61 2.117 6.679 -0.193 1.00 62.25 C ATOM 996 CG GLN A 61 2.781 7.165 1.113 1.00 60.10 C ATOM 997 CD GLN A 61 1.881 8.037 1.990 1.00 0.11 C ATOM 998 OE1 GLN A 61 0.655 7.937 1.966 1.00 4.31 O ATOM 999 NE2 GLN A 61 2.482 8.898 2.787 1.00 72.21 N ATOM 0 H GLN A 61 3.688 7.963 -1.645 1.00 5.22 H new ATOM 0 HA GLN A 61 3.744 5.314 -0.648 1.00 65.04 H new ATOM 0 HB2 GLN A 61 1.651 7.532 -0.687 1.00 62.25 H new ATOM 0 HB3 GLN A 61 1.319 5.981 0.059 1.00 62.25 H new ATOM 0 HG2 GLN A 61 3.099 6.297 1.690 1.00 60.10 H new ATOM 0 HG3 GLN A 61 3.680 7.728 0.862 1.00 60.10 H new ATOM 0 HE21 GLN A 61 3.500 8.965 2.791 1.00 72.21 H new ATOM 0 HE22 GLN A 61 1.929 9.498 3.400 1.00 72.21 H new ATOM 1008 N LEU A 62 1.773 5.807 -3.276 1.00 34.13 N ATOM 1009 CA LEU A 62 1.018 5.148 -4.368 1.00 33.34 C ATOM 1010 C LEU A 62 1.915 4.184 -5.171 1.00 73.22 C ATOM 1011 O LEU A 62 1.502 3.071 -5.513 1.00 34.02 O ATOM 1012 CB LEU A 62 0.412 6.222 -5.311 1.00 11.04 C ATOM 1013 CG LEU A 62 -0.667 7.148 -4.667 1.00 35.53 C ATOM 1014 CD1 LEU A 62 -1.074 8.296 -5.617 1.00 64.40 C ATOM 1015 CD2 LEU A 62 -1.899 6.328 -4.220 1.00 21.32 C ATOM 0 H LEU A 62 1.868 6.815 -3.399 1.00 34.13 H new ATOM 0 HA LEU A 62 0.215 4.562 -3.920 1.00 33.34 H new ATOM 0 HB2 LEU A 62 1.221 6.846 -5.691 1.00 11.04 H new ATOM 0 HB3 LEU A 62 -0.032 5.718 -6.170 1.00 11.04 H new ATOM 0 HG LEU A 62 -0.224 7.604 -3.782 1.00 35.53 H new ATOM 0 HD11 LEU A 62 -1.827 8.919 -5.134 1.00 64.40 H new ATOM 0 HD12 LEU A 62 -0.199 8.901 -5.852 1.00 64.40 H new ATOM 0 HD13 LEU A 62 -1.484 7.879 -6.537 1.00 64.40 H new ATOM 0 HD21 LEU A 62 -2.637 6.994 -3.774 1.00 21.32 H new ATOM 0 HD22 LEU A 62 -2.336 5.828 -5.084 1.00 21.32 H new ATOM 0 HD23 LEU A 62 -1.593 5.583 -3.486 1.00 21.32 H new ATOM 1027 N ALA A 63 3.142 4.651 -5.475 1.00 64.11 N ATOM 1028 CA ALA A 63 4.187 3.841 -6.139 1.00 44.30 C ATOM 1029 C ALA A 63 4.526 2.576 -5.321 1.00 62.30 C ATOM 1030 O ALA A 63 4.613 1.468 -5.868 1.00 74.23 O ATOM 1031 CB ALA A 63 5.443 4.702 -6.365 1.00 15.33 C ATOM 0 H ALA A 63 3.439 5.604 -5.267 1.00 64.11 H new ATOM 0 HA ALA A 63 3.805 3.507 -7.104 1.00 44.30 H new ATOM 0 HB1 ALA A 63 6.211 4.103 -6.854 1.00 15.33 H new ATOM 0 HB2 ALA A 63 5.191 5.555 -6.996 1.00 15.33 H new ATOM 0 HB3 ALA A 63 5.817 5.059 -5.405 1.00 15.33 H new ATOM 1037 N LEU A 64 4.697 2.768 -4.001 1.00 43.33 N ATOM 1038 CA LEU A 64 4.979 1.674 -3.054 1.00 73.40 C ATOM 1039 C LEU A 64 3.796 0.678 -2.940 1.00 50.00 C ATOM 1040 O LEU A 64 4.006 -0.522 -2.960 1.00 64.23 O ATOM 1041 CB LEU A 64 5.318 2.254 -1.663 1.00 63.13 C ATOM 1042 CG LEU A 64 5.813 1.218 -0.607 1.00 71.33 C ATOM 1043 CD1 LEU A 64 7.151 0.569 -1.031 1.00 54.12 C ATOM 1044 CD2 LEU A 64 5.924 1.851 0.784 1.00 3.15 C ATOM 0 H LEU A 64 4.644 3.686 -3.560 1.00 43.33 H new ATOM 0 HA LEU A 64 5.835 1.120 -3.440 1.00 73.40 H new ATOM 0 HB2 LEU A 64 6.086 3.018 -1.784 1.00 63.13 H new ATOM 0 HB3 LEU A 64 4.432 2.752 -1.270 1.00 63.13 H new ATOM 0 HG LEU A 64 5.066 0.426 -0.555 1.00 71.33 H new ATOM 0 HD11 LEU A 64 7.465 -0.147 -0.271 1.00 54.12 H new ATOM 0 HD12 LEU A 64 7.020 0.054 -1.983 1.00 54.12 H new ATOM 0 HD13 LEU A 64 7.912 1.342 -1.138 1.00 54.12 H new ATOM 0 HD21 LEU A 64 6.271 1.103 1.497 1.00 3.15 H new ATOM 0 HD22 LEU A 64 6.633 2.679 0.752 1.00 3.15 H new ATOM 0 HD23 LEU A 64 4.947 2.222 1.094 1.00 3.15 H new ATOM 1056 N ILE A 65 2.563 1.207 -2.829 1.00 42.24 N ATOM 1057 CA ILE A 65 1.309 0.411 -2.691 1.00 54.44 C ATOM 1058 C ILE A 65 1.097 -0.576 -3.870 1.00 60.11 C ATOM 1059 O ILE A 65 0.764 -1.752 -3.663 1.00 4.11 O ATOM 1060 CB ILE A 65 0.067 1.392 -2.537 1.00 41.42 C ATOM 1061 CG1 ILE A 65 -0.046 1.888 -1.050 1.00 15.52 C ATOM 1062 CG2 ILE A 65 -1.265 0.774 -3.044 1.00 40.11 C ATOM 1063 CD1 ILE A 65 -1.077 2.978 -0.803 1.00 34.04 C ATOM 0 H ILE A 65 2.398 2.214 -2.832 1.00 42.24 H new ATOM 0 HA ILE A 65 1.400 -0.201 -1.793 1.00 54.44 H new ATOM 0 HB ILE A 65 0.250 2.253 -3.181 1.00 41.42 H new ATOM 0 HG12 ILE A 65 -0.286 1.034 -0.417 1.00 15.52 H new ATOM 0 HG13 ILE A 65 0.930 2.255 -0.732 1.00 15.52 H new ATOM 0 HG21 ILE A 65 -2.073 1.493 -2.911 1.00 40.11 H new ATOM 0 HG22 ILE A 65 -1.171 0.524 -4.101 1.00 40.11 H new ATOM 0 HG23 ILE A 65 -1.486 -0.130 -2.476 1.00 40.11 H new ATOM 0 HD11 ILE A 65 -1.075 3.248 0.253 1.00 34.04 H new ATOM 0 HD12 ILE A 65 -0.831 3.854 -1.402 1.00 34.04 H new ATOM 0 HD13 ILE A 65 -2.066 2.614 -1.082 1.00 34.04 H new ATOM 1075 N ARG A 66 1.282 -0.074 -5.098 1.00 12.33 N ATOM 1076 CA ARG A 66 1.176 -0.891 -6.324 1.00 22.42 C ATOM 1077 C ARG A 66 2.270 -1.982 -6.357 1.00 31.24 C ATOM 1078 O ARG A 66 2.000 -3.112 -6.762 1.00 51.40 O ATOM 1079 CB ARG A 66 1.224 0.040 -7.569 1.00 61.33 C ATOM 1080 CG ARG A 66 -0.045 0.926 -7.722 1.00 72.11 C ATOM 1081 CD ARG A 66 0.072 2.008 -8.820 1.00 2.01 C ATOM 1082 NE ARG A 66 1.005 3.091 -8.444 1.00 21.42 N ATOM 1083 CZ ARG A 66 0.939 4.342 -8.858 1.00 21.41 C ATOM 1084 NH1 ARG A 66 0.002 4.746 -9.661 1.00 3.41 N ATOM 1085 NH2 ARG A 66 1.821 5.194 -8.456 1.00 34.12 N ATOM 0 H ARG A 66 1.509 0.905 -5.274 1.00 12.33 H new ATOM 0 HA ARG A 66 0.221 -1.416 -6.334 1.00 22.42 H new ATOM 0 HB2 ARG A 66 2.102 0.683 -7.500 1.00 61.33 H new ATOM 0 HB3 ARG A 66 1.344 -0.569 -8.465 1.00 61.33 H new ATOM 0 HG2 ARG A 66 -0.898 0.285 -7.947 1.00 72.11 H new ATOM 0 HG3 ARG A 66 -0.254 1.412 -6.769 1.00 72.11 H new ATOM 0 HD2 ARG A 66 0.410 1.546 -9.748 1.00 2.01 H new ATOM 0 HD3 ARG A 66 -0.913 2.432 -9.016 1.00 2.01 H new ATOM 0 HE ARG A 66 1.766 2.850 -7.809 1.00 21.42 H new ATOM 0 HH11 ARG A 66 -0.707 4.090 -9.988 1.00 3.41 H new ATOM 0 HH12 ARG A 66 -0.025 5.719 -9.965 1.00 3.41 H new ATOM 0 HH21 ARG A 66 2.563 4.899 -7.822 1.00 34.12 H new ATOM 0 HH22 ARG A 66 1.776 6.163 -8.772 1.00 34.12 H new ATOM 1099 N ASP A 67 3.481 -1.642 -5.870 1.00 71.35 N ATOM 1100 CA ASP A 67 4.594 -2.613 -5.700 1.00 54.52 C ATOM 1101 C ASP A 67 4.234 -3.708 -4.650 1.00 33.23 C ATOM 1102 O ASP A 67 4.465 -4.892 -4.876 1.00 23.53 O ATOM 1103 CB ASP A 67 5.878 -1.847 -5.281 1.00 54.31 C ATOM 1104 CG ASP A 67 7.132 -2.737 -5.194 1.00 41.25 C ATOM 1105 OD1 ASP A 67 7.840 -2.882 -6.209 1.00 25.24 O ATOM 1106 OD2 ASP A 67 7.406 -3.314 -4.118 1.00 41.14 O ATOM 0 H ASP A 67 3.719 -0.693 -5.583 1.00 71.35 H new ATOM 0 HA ASP A 67 4.769 -3.121 -6.648 1.00 54.52 H new ATOM 0 HB2 ASP A 67 6.062 -1.046 -5.997 1.00 54.31 H new ATOM 0 HB3 ASP A 67 5.710 -1.377 -4.312 1.00 54.31 H new ATOM 1111 N ILE A 68 3.641 -3.278 -3.519 1.00 60.24 N ATOM 1112 CA ILE A 68 3.235 -4.163 -2.392 1.00 15.35 C ATOM 1113 C ILE A 68 2.182 -5.221 -2.845 1.00 43.53 C ATOM 1114 O ILE A 68 2.242 -6.388 -2.444 1.00 24.34 O ATOM 1115 CB ILE A 68 2.683 -3.286 -1.181 1.00 11.43 C ATOM 1116 CG1 ILE A 68 3.839 -2.479 -0.491 1.00 2.15 C ATOM 1117 CG2 ILE A 68 1.913 -4.123 -0.139 1.00 15.13 C ATOM 1118 CD1 ILE A 68 3.392 -1.538 0.631 1.00 44.30 C ATOM 0 H ILE A 68 3.425 -2.295 -3.353 1.00 60.24 H new ATOM 0 HA ILE A 68 4.115 -4.711 -2.054 1.00 15.35 H new ATOM 0 HB ILE A 68 1.973 -2.582 -1.614 1.00 11.43 H new ATOM 0 HG12 ILE A 68 4.563 -3.186 -0.085 1.00 2.15 H new ATOM 0 HG13 ILE A 68 4.357 -1.894 -1.251 1.00 2.15 H new ATOM 0 HG21 ILE A 68 1.561 -3.473 0.662 1.00 15.13 H new ATOM 0 HG22 ILE A 68 1.060 -4.604 -0.617 1.00 15.13 H new ATOM 0 HG23 ILE A 68 2.573 -4.885 0.276 1.00 15.13 H new ATOM 0 HD11 ILE A 68 4.261 -1.026 1.045 1.00 44.30 H new ATOM 0 HD12 ILE A 68 2.693 -0.802 0.232 1.00 44.30 H new ATOM 0 HD13 ILE A 68 2.903 -2.115 1.416 1.00 44.30 H new ATOM 1130 N ARG A 69 1.228 -4.792 -3.690 1.00 51.31 N ATOM 1131 CA ARG A 69 0.197 -5.687 -4.278 1.00 13.44 C ATOM 1132 C ARG A 69 0.782 -6.627 -5.372 1.00 61.15 C ATOM 1133 O ARG A 69 0.268 -7.733 -5.575 1.00 73.22 O ATOM 1134 CB ARG A 69 -0.998 -4.842 -4.805 1.00 74.44 C ATOM 1135 CG ARG A 69 -1.853 -4.231 -3.672 1.00 33.34 C ATOM 1136 CD ARG A 69 -3.045 -3.400 -4.172 1.00 11.33 C ATOM 1137 NE ARG A 69 -2.619 -2.212 -4.941 1.00 73.22 N ATOM 1138 CZ ARG A 69 -3.433 -1.293 -5.413 1.00 62.22 C ATOM 1139 NH1 ARG A 69 -4.707 -1.357 -5.203 1.00 51.33 N ATOM 1140 NH2 ARG A 69 -2.962 -0.297 -6.088 1.00 62.54 N ATOM 0 H ARG A 69 1.144 -3.820 -3.988 1.00 51.31 H new ATOM 0 HA ARG A 69 -0.170 -6.346 -3.491 1.00 13.44 H new ATOM 0 HB2 ARG A 69 -0.618 -4.040 -5.438 1.00 74.44 H new ATOM 0 HB3 ARG A 69 -1.631 -5.470 -5.432 1.00 74.44 H new ATOM 0 HG2 ARG A 69 -2.224 -5.035 -3.036 1.00 33.34 H new ATOM 0 HG3 ARG A 69 -1.218 -3.600 -3.050 1.00 33.34 H new ATOM 0 HD2 ARG A 69 -3.683 -4.024 -4.797 1.00 11.33 H new ATOM 0 HD3 ARG A 69 -3.646 -3.082 -3.320 1.00 11.33 H new ATOM 0 HE ARG A 69 -1.621 -2.096 -5.119 1.00 73.22 H new ATOM 0 HH11 ARG A 69 -5.097 -2.130 -4.663 1.00 51.33 H new ATOM 0 HH12 ARG A 69 -5.322 -0.635 -5.577 1.00 51.33 H new ATOM 0 HH21 ARG A 69 -1.958 -0.223 -6.255 1.00 62.54 H new ATOM 0 HH22 ARG A 69 -3.594 0.415 -6.454 1.00 62.54 H new ATOM 1154 N ARG A 70 1.846 -6.172 -6.073 1.00 21.25 N ATOM 1155 CA ARG A 70 2.630 -7.023 -7.016 1.00 60.45 C ATOM 1156 C ARG A 70 3.369 -8.161 -6.265 1.00 2.23 C ATOM 1157 O ARG A 70 3.532 -9.268 -6.792 1.00 41.41 O ATOM 1158 CB ARG A 70 3.659 -6.157 -7.800 1.00 44.23 C ATOM 1159 CG ARG A 70 3.041 -5.196 -8.843 1.00 21.23 C ATOM 1160 CD ARG A 70 4.068 -4.198 -9.404 1.00 61.44 C ATOM 1161 NE ARG A 70 3.484 -3.310 -10.420 1.00 53.32 N ATOM 1162 CZ ARG A 70 4.077 -2.255 -10.942 1.00 25.24 C ATOM 1163 NH1 ARG A 70 5.230 -1.843 -10.523 1.00 20.25 N ATOM 1164 NH2 ARG A 70 3.496 -1.611 -11.891 1.00 5.23 N ATOM 0 H ARG A 70 2.188 -5.213 -6.006 1.00 21.25 H new ATOM 0 HA ARG A 70 1.928 -7.473 -7.718 1.00 60.45 H new ATOM 0 HB2 ARG A 70 4.238 -5.571 -7.086 1.00 44.23 H new ATOM 0 HB3 ARG A 70 4.358 -6.821 -8.309 1.00 44.23 H new ATOM 0 HG2 ARG A 70 2.619 -5.777 -9.663 1.00 21.23 H new ATOM 0 HG3 ARG A 70 2.219 -4.647 -8.384 1.00 21.23 H new ATOM 0 HD2 ARG A 70 4.471 -3.598 -8.588 1.00 61.44 H new ATOM 0 HD3 ARG A 70 4.903 -4.746 -9.840 1.00 61.44 H new ATOM 0 HE ARG A 70 2.543 -3.528 -10.748 1.00 53.32 H new ATOM 0 HH11 ARG A 70 5.705 -2.338 -9.769 1.00 20.25 H new ATOM 0 HH12 ARG A 70 5.664 -1.023 -10.947 1.00 20.25 H new ATOM 0 HH21 ARG A 70 2.585 -1.918 -12.233 1.00 5.23 H new ATOM 0 HH22 ARG A 70 3.946 -0.793 -12.302 1.00 5.23 H new ATOM 1178 N ARG A 71 3.838 -7.852 -5.039 1.00 72.22 N ATOM 1179 CA ARG A 71 4.416 -8.852 -4.116 1.00 43.25 C ATOM 1180 C ARG A 71 3.344 -9.881 -3.690 1.00 52.52 C ATOM 1181 O ARG A 71 3.477 -11.085 -3.957 1.00 43.24 O ATOM 1182 CB ARG A 71 5.044 -8.143 -2.858 1.00 63.13 C ATOM 1183 CG ARG A 71 6.548 -7.745 -2.952 1.00 52.50 C ATOM 1184 CD ARG A 71 6.909 -6.810 -4.128 1.00 60.20 C ATOM 1185 NE ARG A 71 6.928 -7.506 -5.431 1.00 3.23 N ATOM 1186 CZ ARG A 71 7.171 -6.938 -6.590 1.00 61.30 C ATOM 1187 NH1 ARG A 71 7.387 -5.668 -6.683 1.00 43.12 N ATOM 1188 NH2 ARG A 71 7.182 -7.655 -7.669 1.00 31.21 N ATOM 0 H ARG A 71 3.827 -6.905 -4.661 1.00 72.22 H new ATOM 0 HA ARG A 71 5.210 -9.386 -4.638 1.00 43.25 H new ATOM 0 HB2 ARG A 71 4.467 -7.242 -2.653 1.00 63.13 H new ATOM 0 HB3 ARG A 71 4.921 -8.803 -1.999 1.00 63.13 H new ATOM 0 HG2 ARG A 71 6.838 -7.259 -2.020 1.00 52.50 H new ATOM 0 HG3 ARG A 71 7.143 -8.654 -3.036 1.00 52.50 H new ATOM 0 HD2 ARG A 71 6.190 -5.992 -4.169 1.00 60.20 H new ATOM 0 HD3 ARG A 71 7.887 -6.365 -3.945 1.00 60.20 H new ATOM 0 HE ARG A 71 6.737 -8.508 -5.430 1.00 3.23 H new ATOM 0 HH11 ARG A 71 7.371 -5.085 -5.846 1.00 43.12 H new ATOM 0 HH12 ARG A 71 7.574 -5.248 -7.593 1.00 43.12 H new ATOM 0 HH21 ARG A 71 7.002 -8.658 -7.617 1.00 31.21 H new ATOM 0 HH22 ARG A 71 7.370 -7.217 -8.571 1.00 31.21 H new ATOM 1202 N GLY A 72 2.270 -9.376 -3.057 1.00 73.42 N ATOM 1203 CA GLY A 72 1.236 -10.228 -2.463 1.00 72.03 C ATOM 1204 C GLY A 72 1.756 -11.065 -1.282 1.00 34.42 C ATOM 1205 O GLY A 72 2.781 -10.729 -0.673 1.00 34.40 O ATOM 0 H GLY A 72 2.099 -8.377 -2.946 1.00 73.42 H new ATOM 0 HA2 GLY A 72 0.409 -9.604 -2.123 1.00 72.03 H new ATOM 0 HA3 GLY A 72 0.839 -10.895 -3.228 1.00 72.03 H new ATOM 1209 N LYS A 73 1.032 -12.140 -0.929 1.00 25.12 N ATOM 1210 CA LYS A 73 1.515 -13.136 0.057 1.00 13.11 C ATOM 1211 C LYS A 73 2.231 -14.295 -0.677 1.00 24.44 C ATOM 1212 O LYS A 73 3.460 -14.418 -0.624 1.00 32.35 O ATOM 1213 CB LYS A 73 0.334 -13.667 0.925 1.00 13.11 C ATOM 1214 CG LYS A 73 -0.395 -12.587 1.760 1.00 4.51 C ATOM 1215 CD LYS A 73 0.527 -11.878 2.791 1.00 75.24 C ATOM 1216 CE LYS A 73 1.031 -12.824 3.900 1.00 34.21 C ATOM 1217 NZ LYS A 73 -0.086 -13.413 4.689 1.00 62.00 N ATOM 0 H LYS A 73 0.108 -12.347 -1.309 1.00 25.12 H new ATOM 0 HA LYS A 73 2.228 -12.656 0.727 1.00 13.11 H new ATOM 0 HB2 LYS A 73 -0.391 -14.150 0.270 1.00 13.11 H new ATOM 0 HB3 LYS A 73 0.714 -14.433 1.601 1.00 13.11 H new ATOM 0 HG2 LYS A 73 -0.816 -11.841 1.087 1.00 4.51 H new ATOM 0 HG3 LYS A 73 -1.230 -13.048 2.287 1.00 4.51 H new ATOM 0 HD2 LYS A 73 1.383 -11.449 2.270 1.00 75.24 H new ATOM 0 HD3 LYS A 73 -0.016 -11.050 3.247 1.00 75.24 H new ATOM 0 HE2 LYS A 73 1.619 -13.625 3.452 1.00 34.21 H new ATOM 0 HE3 LYS A 73 1.696 -12.276 4.568 1.00 34.21 H new ATOM 0 HZ1 LYS A 73 0.177 -13.441 5.695 1.00 62.00 H new ATOM 0 HZ2 LYS A 73 -0.940 -12.831 4.570 1.00 62.00 H new ATOM 0 HZ3 LYS A 73 -0.276 -14.379 4.354 1.00 62.00 H new ATOM 1231 N ASN A 74 1.441 -15.135 -1.374 1.00 1.43 N ATOM 1232 CA ASN A 74 1.951 -16.271 -2.192 1.00 13.51 C ATOM 1233 C ASN A 74 1.316 -16.222 -3.611 1.00 42.34 C ATOM 1234 O ASN A 74 1.292 -17.225 -4.332 1.00 55.23 O ATOM 1235 CB ASN A 74 1.618 -17.622 -1.486 1.00 74.00 C ATOM 1236 CG ASN A 74 2.030 -17.647 -0.005 1.00 33.25 C ATOM 1237 OD1 ASN A 74 1.236 -17.331 0.879 1.00 22.12 O ATOM 1238 ND2 ASN A 74 3.278 -17.981 0.283 1.00 35.03 N ATOM 0 H ASN A 74 0.425 -15.050 -1.390 1.00 1.43 H new ATOM 0 HA ASN A 74 3.033 -16.190 -2.292 1.00 13.51 H new ATOM 0 HB2 ASN A 74 0.547 -17.810 -1.562 1.00 74.00 H new ATOM 0 HB3 ASN A 74 2.122 -18.433 -2.011 1.00 74.00 H new ATOM 0 HD21 ASN A 74 3.596 -17.979 1.252 1.00 35.03 H new ATOM 0 HD22 ASN A 74 3.922 -18.240 -0.464 1.00 35.03 H new ATOM 1245 N LYS A 75 0.865 -15.017 -4.019 1.00 55.22 N ATOM 1246 CA LYS A 75 0.008 -14.809 -5.222 1.00 41.14 C ATOM 1247 C LYS A 75 0.713 -13.947 -6.304 1.00 24.43 C ATOM 1248 O LYS A 75 1.674 -13.228 -6.018 1.00 72.35 O ATOM 1249 CB LYS A 75 -1.334 -14.154 -4.780 1.00 4.22 C ATOM 1250 CG LYS A 75 -1.179 -12.823 -3.997 1.00 44.11 C ATOM 1251 CD LYS A 75 -2.531 -12.259 -3.482 1.00 21.42 C ATOM 1252 CE LYS A 75 -3.237 -13.203 -2.486 1.00 71.31 C ATOM 1253 NZ LYS A 75 -4.577 -12.695 -2.069 1.00 2.30 N ATOM 0 H LYS A 75 1.082 -14.151 -3.525 1.00 55.22 H new ATOM 0 HA LYS A 75 -0.186 -15.780 -5.679 1.00 41.14 H new ATOM 0 HB2 LYS A 75 -1.942 -13.970 -5.666 1.00 4.22 H new ATOM 0 HB3 LYS A 75 -1.882 -14.863 -4.159 1.00 4.22 H new ATOM 0 HG2 LYS A 75 -0.512 -12.982 -3.150 1.00 44.11 H new ATOM 0 HG3 LYS A 75 -0.705 -12.082 -4.641 1.00 44.11 H new ATOM 0 HD2 LYS A 75 -2.357 -11.296 -3.001 1.00 21.42 H new ATOM 0 HD3 LYS A 75 -3.190 -12.077 -4.331 1.00 21.42 H new ATOM 0 HE2 LYS A 75 -3.351 -14.187 -2.941 1.00 71.31 H new ATOM 0 HE3 LYS A 75 -2.610 -13.330 -1.604 1.00 71.31 H new ATOM 0 HZ1 LYS A 75 -5.009 -13.364 -1.401 1.00 2.30 H new ATOM 0 HZ2 LYS A 75 -4.469 -11.768 -1.610 1.00 2.30 H new ATOM 0 HZ3 LYS A 75 -5.187 -12.598 -2.906 1.00 2.30 H new ATOM 1267 N VAL A 76 0.200 -14.031 -7.548 1.00 0.03 N ATOM 1268 CA VAL A 76 0.813 -13.392 -8.749 1.00 32.11 C ATOM 1269 C VAL A 76 0.190 -12.006 -9.068 1.00 63.35 C ATOM 1270 O VAL A 76 0.920 -11.036 -9.310 1.00 70.12 O ATOM 1271 CB VAL A 76 0.659 -14.347 -10.005 1.00 22.33 C ATOM 1272 CG1 VAL A 76 1.172 -13.693 -11.314 1.00 43.41 C ATOM 1273 CG2 VAL A 76 1.367 -15.701 -9.753 1.00 53.43 C ATOM 0 H VAL A 76 -0.656 -14.545 -7.758 1.00 0.03 H new ATOM 0 HA VAL A 76 1.868 -13.232 -8.525 1.00 32.11 H new ATOM 0 HB VAL A 76 -0.408 -14.528 -10.139 1.00 22.33 H new ATOM 0 HG11 VAL A 76 1.044 -14.389 -12.143 1.00 43.41 H new ATOM 0 HG12 VAL A 76 0.605 -12.783 -11.513 1.00 43.41 H new ATOM 0 HG13 VAL A 76 2.228 -13.446 -11.208 1.00 43.41 H new ATOM 0 HG21 VAL A 76 1.249 -16.341 -10.627 1.00 53.43 H new ATOM 0 HG22 VAL A 76 2.428 -15.528 -9.570 1.00 53.43 H new ATOM 0 HG23 VAL A 76 0.923 -16.187 -8.884 1.00 53.43 H new ATOM 1283 N ALA A 77 -1.161 -11.959 -9.080 1.00 15.52 N ATOM 1284 CA ALA A 77 -1.979 -10.783 -9.496 1.00 71.31 C ATOM 1285 C ALA A 77 -1.896 -10.502 -11.028 1.00 40.23 C ATOM 1286 O ALA A 77 -1.285 -11.272 -11.780 1.00 51.22 O ATOM 1287 CB ALA A 77 -1.654 -9.524 -8.655 1.00 62.41 C ATOM 0 H ALA A 77 -1.733 -12.754 -8.795 1.00 15.52 H new ATOM 0 HA ALA A 77 -3.017 -11.045 -9.291 1.00 71.31 H new ATOM 0 HB1 ALA A 77 -2.272 -8.692 -8.992 1.00 62.41 H new ATOM 0 HB2 ALA A 77 -1.859 -9.726 -7.604 1.00 62.41 H new ATOM 0 HB3 ALA A 77 -0.602 -9.267 -8.777 1.00 62.41 H new ATOM 1293 N ALA A 78 -2.592 -9.422 -11.475 1.00 61.22 N ATOM 1294 CA ALA A 78 -2.633 -8.963 -12.900 1.00 60.41 C ATOM 1295 C ALA A 78 -3.338 -9.967 -13.861 1.00 42.24 C ATOM 1296 O ALA A 78 -3.233 -9.845 -15.089 1.00 65.43 O ATOM 1297 CB ALA A 78 -1.221 -8.588 -13.407 1.00 74.44 C ATOM 0 H ALA A 78 -3.148 -8.836 -10.853 1.00 61.22 H new ATOM 0 HA ALA A 78 -3.251 -8.066 -12.909 1.00 60.41 H new ATOM 0 HB1 ALA A 78 -1.282 -8.259 -14.444 1.00 74.44 H new ATOM 0 HB2 ALA A 78 -0.816 -7.783 -12.794 1.00 74.44 H new ATOM 0 HB3 ALA A 78 -0.568 -9.458 -13.341 1.00 74.44 H new ATOM 1303 N GLN A 79 -4.094 -10.924 -13.288 1.00 63.32 N ATOM 1304 CA GLN A 79 -4.846 -11.945 -14.057 1.00 11.23 C ATOM 1305 C GLN A 79 -6.132 -11.335 -14.690 1.00 21.10 C ATOM 1306 O GLN A 79 -7.108 -11.047 -13.983 1.00 34.01 O ATOM 1307 CB GLN A 79 -5.205 -13.139 -13.123 1.00 52.21 C ATOM 1308 CG GLN A 79 -5.959 -14.299 -13.808 1.00 3.05 C ATOM 1309 CD GLN A 79 -6.316 -15.440 -12.845 1.00 53.45 C ATOM 1310 OE1 GLN A 79 -5.540 -16.370 -12.645 1.00 2.12 O ATOM 1311 NE2 GLN A 79 -7.491 -15.379 -12.241 1.00 3.43 N ATOM 0 H GLN A 79 -4.203 -11.014 -12.278 1.00 63.32 H new ATOM 0 HA GLN A 79 -4.217 -12.304 -14.872 1.00 11.23 H new ATOM 0 HB2 GLN A 79 -4.285 -13.530 -12.688 1.00 52.21 H new ATOM 0 HB3 GLN A 79 -5.814 -12.766 -12.299 1.00 52.21 H new ATOM 0 HG2 GLN A 79 -6.873 -13.913 -14.259 1.00 3.05 H new ATOM 0 HG3 GLN A 79 -5.346 -14.694 -14.618 1.00 3.05 H new ATOM 0 HE21 GLN A 79 -8.118 -14.596 -12.424 1.00 3.43 H new ATOM 0 HE22 GLN A 79 -7.770 -16.115 -11.592 1.00 3.43 H new ATOM 1320 N ASN A 80 -6.105 -11.114 -16.020 1.00 13.32 N ATOM 1321 CA ASN A 80 -7.263 -10.560 -16.771 1.00 30.12 C ATOM 1322 C ASN A 80 -8.221 -11.701 -17.216 1.00 74.24 C ATOM 1323 O ASN A 80 -7.777 -12.700 -17.797 1.00 74.01 O ATOM 1324 CB ASN A 80 -6.766 -9.756 -18.007 1.00 71.42 C ATOM 1325 CG ASN A 80 -7.886 -9.022 -18.769 1.00 1.52 C ATOM 1326 OD1 ASN A 80 -8.863 -8.564 -18.185 1.00 65.42 O ATOM 1327 ND2 ASN A 80 -7.752 -8.902 -20.076 1.00 10.00 N ATOM 0 H ASN A 80 -5.292 -11.310 -16.604 1.00 13.32 H new ATOM 0 HA ASN A 80 -7.813 -9.887 -16.114 1.00 30.12 H new ATOM 0 HB2 ASN A 80 -6.025 -9.027 -17.679 1.00 71.42 H new ATOM 0 HB3 ASN A 80 -6.261 -10.437 -18.692 1.00 71.42 H new ATOM 0 HD21 ASN A 80 -8.468 -8.421 -20.620 1.00 10.00 H new ATOM 0 HD22 ASN A 80 -6.932 -9.290 -20.542 1.00 10.00 H new ATOM 1334 N CYS A 81 -9.526 -11.540 -16.930 1.00 73.14 N ATOM 1335 CA CYS A 81 -10.585 -12.504 -17.335 1.00 62.12 C ATOM 1336 C CYS A 81 -11.257 -12.085 -18.680 1.00 44.11 C ATOM 1337 O CYS A 81 -10.770 -11.172 -19.363 1.00 32.44 O ATOM 1338 CB CYS A 81 -11.636 -12.613 -16.205 1.00 55.02 C ATOM 1339 SG CYS A 81 -12.493 -11.068 -15.826 1.00 62.33 S ATOM 0 H CYS A 81 -9.884 -10.739 -16.411 1.00 73.14 H new ATOM 0 HA CYS A 81 -10.126 -13.479 -17.497 1.00 62.12 H new ATOM 0 HB2 CYS A 81 -12.375 -13.364 -16.485 1.00 55.02 H new ATOM 0 HB3 CYS A 81 -11.143 -12.971 -15.301 1.00 55.02 H new ATOM 0 HG CYS A 81 -13.350 -11.271 -14.870 1.00 62.33 H new ATOM 1345 N ARG A 82 -12.365 -12.778 -19.058 1.00 31.20 N ATOM 1346 CA ARG A 82 -13.084 -12.538 -20.339 1.00 12.12 C ATOM 1347 C ARG A 82 -13.657 -11.087 -20.452 1.00 33.41 C ATOM 1348 O ARG A 82 -14.520 -10.666 -19.674 1.00 41.54 O ATOM 1349 CB ARG A 82 -14.194 -13.613 -20.562 1.00 52.43 C ATOM 1350 CG ARG A 82 -15.264 -13.715 -19.445 1.00 4.34 C ATOM 1351 CD ARG A 82 -16.332 -14.797 -19.726 1.00 75.24 C ATOM 1352 NE ARG A 82 -17.349 -14.857 -18.660 1.00 64.14 N ATOM 1353 CZ ARG A 82 -18.446 -15.586 -18.681 1.00 71.20 C ATOM 1354 NH1 ARG A 82 -18.734 -16.354 -19.688 1.00 22.52 N ATOM 1355 NH2 ARG A 82 -19.261 -15.530 -17.681 1.00 14.44 N ATOM 0 H ARG A 82 -12.782 -13.514 -18.488 1.00 31.20 H new ATOM 0 HA ARG A 82 -12.349 -12.634 -21.138 1.00 12.12 H new ATOM 0 HB2 ARG A 82 -14.698 -13.398 -21.504 1.00 52.43 H new ATOM 0 HB3 ARG A 82 -13.715 -14.586 -20.671 1.00 52.43 H new ATOM 0 HG2 ARG A 82 -14.772 -13.936 -18.498 1.00 4.34 H new ATOM 0 HG3 ARG A 82 -15.755 -12.749 -19.331 1.00 4.34 H new ATOM 0 HD2 ARG A 82 -16.818 -14.589 -20.679 1.00 75.24 H new ATOM 0 HD3 ARG A 82 -15.848 -15.769 -19.821 1.00 75.24 H new ATOM 0 HE ARG A 82 -17.189 -14.283 -17.832 1.00 64.14 H new ATOM 0 HH11 ARG A 82 -18.104 -16.403 -20.489 1.00 22.52 H new ATOM 0 HH12 ARG A 82 -19.590 -16.908 -19.678 1.00 22.52 H new ATOM 0 HH21 ARG A 82 -19.052 -14.926 -16.886 1.00 14.44 H new ATOM 0 HH22 ARG A 82 -20.114 -16.090 -17.686 1.00 14.44 H new ATOM 1369 N LYS A 83 -13.116 -10.323 -21.419 1.00 54.33 N ATOM 1370 CA LYS A 83 -13.564 -8.949 -21.746 1.00 3.43 C ATOM 1371 C LYS A 83 -14.468 -8.952 -23.011 1.00 54.12 C ATOM 1372 O LYS A 83 -14.491 -7.974 -23.768 1.00 34.22 O ATOM 1373 CB LYS A 83 -12.306 -8.047 -21.963 1.00 51.14 C ATOM 1374 CG LYS A 83 -11.312 -7.934 -20.765 1.00 30.40 C ATOM 1375 CD LYS A 83 -11.849 -7.117 -19.545 1.00 42.23 C ATOM 1376 CE LYS A 83 -12.734 -7.927 -18.572 1.00 43.03 C ATOM 1377 NZ LYS A 83 -13.302 -7.074 -17.494 1.00 41.40 N ATOM 0 H LYS A 83 -12.345 -10.643 -22.005 1.00 54.33 H new ATOM 0 HA LYS A 83 -14.156 -8.552 -20.922 1.00 3.43 H new ATOM 0 HB2 LYS A 83 -11.758 -8.428 -22.825 1.00 51.14 H new ATOM 0 HB3 LYS A 83 -12.646 -7.044 -22.219 1.00 51.14 H new ATOM 0 HG2 LYS A 83 -11.055 -8.938 -20.428 1.00 30.40 H new ATOM 0 HG3 LYS A 83 -10.390 -7.471 -21.118 1.00 30.40 H new ATOM 0 HD2 LYS A 83 -11.001 -6.712 -18.993 1.00 42.23 H new ATOM 0 HD3 LYS A 83 -12.422 -6.268 -19.917 1.00 42.23 H new ATOM 0 HE2 LYS A 83 -13.545 -8.398 -19.127 1.00 43.03 H new ATOM 0 HE3 LYS A 83 -12.144 -8.729 -18.127 1.00 43.03 H new ATOM 0 HZ1 LYS A 83 -13.889 -7.656 -16.863 1.00 41.40 H new ATOM 0 HZ2 LYS A 83 -12.529 -6.644 -16.948 1.00 41.40 H new ATOM 0 HZ3 LYS A 83 -13.886 -6.324 -17.916 1.00 41.40 H new ATOM 1391 N ARG A 84 -15.238 -10.046 -23.196 1.00 45.20 N ATOM 1392 CA ARG A 84 -16.106 -10.246 -24.384 1.00 61.31 C ATOM 1393 C ARG A 84 -17.294 -9.241 -24.422 1.00 52.33 C ATOM 1394 O ARG A 84 -18.257 -9.373 -23.655 1.00 12.23 O ATOM 1395 CB ARG A 84 -16.647 -11.709 -24.424 1.00 60.50 C ATOM 1396 CG ARG A 84 -15.581 -12.795 -24.698 1.00 31.14 C ATOM 1397 CD ARG A 84 -16.179 -14.219 -24.764 1.00 50.45 C ATOM 1398 NE ARG A 84 -15.203 -15.207 -25.262 1.00 51.31 N ATOM 1399 CZ ARG A 84 -15.371 -16.519 -25.280 1.00 2.01 C ATOM 1400 NH1 ARG A 84 -16.422 -17.079 -24.761 1.00 22.21 N ATOM 1401 NH2 ARG A 84 -14.469 -17.267 -25.819 1.00 5.23 N ATOM 0 H ARG A 84 -15.278 -10.816 -22.529 1.00 45.20 H new ATOM 0 HA ARG A 84 -15.490 -10.062 -25.264 1.00 61.31 H new ATOM 0 HB2 ARG A 84 -17.130 -11.928 -23.471 1.00 60.50 H new ATOM 0 HB3 ARG A 84 -17.416 -11.775 -25.193 1.00 60.50 H new ATOM 0 HG2 ARG A 84 -15.077 -12.574 -25.639 1.00 31.14 H new ATOM 0 HG3 ARG A 84 -14.824 -12.760 -23.915 1.00 31.14 H new ATOM 0 HD2 ARG A 84 -16.520 -14.515 -23.772 1.00 50.45 H new ATOM 0 HD3 ARG A 84 -17.054 -14.215 -25.414 1.00 50.45 H new ATOM 0 HE ARG A 84 -14.320 -14.846 -25.625 1.00 51.31 H new ATOM 0 HH11 ARG A 84 -17.144 -16.504 -24.326 1.00 22.21 H new ATOM 0 HH12 ARG A 84 -16.526 -18.093 -24.789 1.00 22.21 H new ATOM 0 HH21 ARG A 84 -13.634 -16.846 -26.227 1.00 5.23 H new ATOM 0 HH22 ARG A 84 -14.590 -18.280 -25.837 1.00 5.23 H new ATOM 1415 N LYS A 85 -17.192 -8.214 -25.298 1.00 53.23 N ATOM 1416 CA LYS A 85 -18.317 -7.287 -25.610 1.00 53.22 C ATOM 1417 C LYS A 85 -18.538 -7.212 -27.138 1.00 20.54 C ATOM 1418 O LYS A 85 -17.602 -6.903 -27.889 1.00 23.11 O ATOM 1419 CB LYS A 85 -18.082 -5.841 -25.064 1.00 10.32 C ATOM 1420 CG LYS A 85 -17.835 -5.730 -23.536 1.00 31.20 C ATOM 1421 CD LYS A 85 -18.094 -4.302 -22.982 1.00 53.00 C ATOM 1422 CE LYS A 85 -17.306 -3.194 -23.719 1.00 72.42 C ATOM 1423 NZ LYS A 85 -15.836 -3.332 -23.558 1.00 23.24 N ATOM 0 H LYS A 85 -16.335 -8.001 -25.808 1.00 53.23 H new ATOM 0 HA LYS A 85 -19.198 -7.693 -25.113 1.00 53.22 H new ATOM 0 HB2 LYS A 85 -17.226 -5.411 -25.584 1.00 10.32 H new ATOM 0 HB3 LYS A 85 -18.949 -5.231 -25.318 1.00 10.32 H new ATOM 0 HG2 LYS A 85 -18.481 -6.438 -23.017 1.00 31.20 H new ATOM 0 HG3 LYS A 85 -16.806 -6.017 -23.318 1.00 31.20 H new ATOM 0 HD2 LYS A 85 -19.160 -4.084 -23.050 1.00 53.00 H new ATOM 0 HD3 LYS A 85 -17.831 -4.280 -21.924 1.00 53.00 H new ATOM 0 HE2 LYS A 85 -17.555 -3.221 -24.780 1.00 72.42 H new ATOM 0 HE3 LYS A 85 -17.619 -2.220 -23.343 1.00 72.42 H new ATOM 0 HZ1 LYS A 85 -15.357 -2.565 -24.071 1.00 23.24 H new ATOM 0 HZ2 LYS A 85 -15.591 -3.279 -22.549 1.00 23.24 H new ATOM 0 HZ3 LYS A 85 -15.529 -4.249 -23.941 1.00 23.24 H new ATOM 1437 N LEU A 86 -19.777 -7.489 -27.589 1.00 24.13 N ATOM 1438 CA LEU A 86 -20.182 -7.325 -29.008 1.00 71.42 C ATOM 1439 C LEU A 86 -20.378 -5.820 -29.329 1.00 40.03 C ATOM 1440 O LEU A 86 -20.141 -5.379 -30.463 1.00 32.52 O ATOM 1441 CB LEU A 86 -21.484 -8.156 -29.275 1.00 13.44 C ATOM 1442 CG LEU A 86 -21.975 -8.314 -30.773 1.00 53.41 C ATOM 1443 CD1 LEU A 86 -22.806 -9.608 -30.956 1.00 10.31 C ATOM 1444 CD2 LEU A 86 -22.803 -7.095 -31.263 1.00 32.32 C ATOM 0 H LEU A 86 -20.526 -7.831 -26.987 1.00 24.13 H new ATOM 0 HA LEU A 86 -19.401 -7.701 -29.668 1.00 71.42 H new ATOM 0 HB2 LEU A 86 -21.331 -9.155 -28.867 1.00 13.44 H new ATOM 0 HB3 LEU A 86 -22.293 -7.700 -28.705 1.00 13.44 H new ATOM 0 HG LEU A 86 -21.072 -8.372 -31.381 1.00 53.41 H new ATOM 0 HD11 LEU A 86 -23.129 -9.689 -31.994 1.00 10.31 H new ATOM 0 HD12 LEU A 86 -22.195 -10.473 -30.698 1.00 10.31 H new ATOM 0 HD13 LEU A 86 -23.680 -9.574 -30.306 1.00 10.31 H new ATOM 0 HD21 LEU A 86 -23.113 -7.257 -32.295 1.00 32.32 H new ATOM 0 HD22 LEU A 86 -23.685 -6.977 -30.633 1.00 32.32 H new ATOM 0 HD23 LEU A 86 -22.193 -6.194 -31.205 1.00 32.32 H new ATOM 1456 N GLU A 87 -20.799 -5.051 -28.298 1.00 21.05 N ATOM 1457 CA GLU A 87 -21.086 -3.605 -28.409 1.00 5.34 C ATOM 1458 C GLU A 87 -19.856 -2.785 -28.884 1.00 12.13 C ATOM 1459 O GLU A 87 -18.912 -2.555 -28.119 1.00 23.04 O ATOM 1460 CB GLU A 87 -21.600 -3.046 -27.053 1.00 64.22 C ATOM 1461 CG GLU A 87 -22.932 -3.663 -26.578 1.00 12.50 C ATOM 1462 CD GLU A 87 -23.467 -3.019 -25.283 1.00 35.34 C ATOM 1463 OE1 GLU A 87 -24.201 -2.013 -25.366 1.00 22.54 O ATOM 1464 OE2 GLU A 87 -23.163 -3.522 -24.183 1.00 13.43 O ATOM 0 H GLU A 87 -20.950 -5.421 -27.360 1.00 21.05 H new ATOM 0 HA GLU A 87 -21.861 -3.498 -29.168 1.00 5.34 H new ATOM 0 HB2 GLU A 87 -20.840 -3.218 -26.291 1.00 64.22 H new ATOM 0 HB3 GLU A 87 -21.724 -1.967 -27.141 1.00 64.22 H new ATOM 0 HG2 GLU A 87 -23.677 -3.555 -27.366 1.00 12.50 H new ATOM 0 HG3 GLU A 87 -22.793 -4.732 -26.415 1.00 12.50 H new ATOM 1471 N ASN A 88 -19.896 -2.371 -30.158 1.00 14.25 N ATOM 1472 CA ASN A 88 -18.869 -1.511 -30.796 1.00 22.20 C ATOM 1473 C ASN A 88 -19.583 -0.389 -31.614 1.00 44.42 C ATOM 1474 O ASN A 88 -19.086 0.091 -32.636 1.00 52.41 O ATOM 1475 CB ASN A 88 -17.954 -2.409 -31.688 1.00 12.05 C ATOM 1476 CG ASN A 88 -16.699 -1.706 -32.221 1.00 53.13 C ATOM 1477 OD1 ASN A 88 -16.126 -0.835 -31.571 1.00 1.34 O ATOM 1478 ND2 ASN A 88 -16.256 -2.078 -33.403 1.00 65.41 N ATOM 0 H ASN A 88 -20.654 -2.625 -30.792 1.00 14.25 H new ATOM 0 HA ASN A 88 -18.239 -1.023 -30.052 1.00 22.20 H new ATOM 0 HB2 ASN A 88 -17.649 -3.282 -31.111 1.00 12.05 H new ATOM 0 HB3 ASN A 88 -18.537 -2.774 -32.533 1.00 12.05 H new ATOM 0 HD21 ASN A 88 -15.422 -1.641 -33.796 1.00 65.41 H new ATOM 0 HD22 ASN A 88 -16.747 -2.803 -33.926 1.00 65.41 H new ATOM 1485 N ILE A 89 -20.753 0.048 -31.106 1.00 12.41 N ATOM 1486 CA ILE A 89 -21.631 1.038 -31.781 1.00 61.11 C ATOM 1487 C ILE A 89 -22.128 2.110 -30.769 1.00 34.02 C ATOM 1488 O ILE A 89 -22.680 1.777 -29.713 1.00 32.15 O ATOM 1489 CB ILE A 89 -22.843 0.303 -32.490 1.00 24.15 C ATOM 1490 CG1 ILE A 89 -23.834 1.327 -33.151 1.00 63.11 C ATOM 1491 CG2 ILE A 89 -23.582 -0.656 -31.512 1.00 61.02 C ATOM 1492 CD1 ILE A 89 -24.974 0.701 -33.947 1.00 5.44 C ATOM 0 H ILE A 89 -21.121 -0.275 -30.211 1.00 12.41 H new ATOM 0 HA ILE A 89 -21.055 1.553 -32.549 1.00 61.11 H new ATOM 0 HB ILE A 89 -22.426 -0.308 -33.291 1.00 24.15 H new ATOM 0 HG12 ILE A 89 -24.260 1.954 -32.368 1.00 63.11 H new ATOM 0 HG13 ILE A 89 -23.267 1.983 -33.812 1.00 63.11 H new ATOM 0 HG21 ILE A 89 -24.407 -1.142 -32.033 1.00 61.02 H new ATOM 0 HG22 ILE A 89 -22.886 -1.412 -31.149 1.00 61.02 H new ATOM 0 HG23 ILE A 89 -23.971 -0.086 -30.668 1.00 61.02 H new ATOM 0 HD11 ILE A 89 -25.602 1.488 -34.363 1.00 5.44 H new ATOM 0 HD12 ILE A 89 -24.564 0.098 -34.757 1.00 5.44 H new ATOM 0 HD13 ILE A 89 -25.572 0.069 -33.291 1.00 5.44 H new ATOM 1504 N VAL A 90 -21.893 3.399 -31.094 1.00 32.10 N ATOM 1505 CA VAL A 90 -22.292 4.544 -30.233 1.00 64.15 C ATOM 1506 C VAL A 90 -23.841 4.779 -30.253 1.00 52.45 C ATOM 1507 O VAL A 90 -24.479 4.754 -29.176 1.00 38.11 O ATOM 1508 CB VAL A 90 -21.490 5.867 -30.612 1.00 74.34 C ATOM 1509 CG1 VAL A 90 -21.623 6.250 -32.108 1.00 61.21 C ATOM 1510 CG2 VAL A 90 -21.892 7.058 -29.696 1.00 74.42 C ATOM 1511 OXT VAL A 90 -24.433 4.933 -31.347 1.00 38.11 O ATOM 0 H VAL A 90 -21.424 3.679 -31.955 1.00 32.10 H new ATOM 0 HA VAL A 90 -22.024 4.284 -29.209 1.00 64.15 H new ATOM 0 HB VAL A 90 -20.438 5.641 -30.440 1.00 74.34 H new ATOM 0 HG11 VAL A 90 -21.054 7.159 -32.303 1.00 61.21 H new ATOM 0 HG12 VAL A 90 -21.236 5.440 -32.727 1.00 61.21 H new ATOM 0 HG13 VAL A 90 -22.673 6.420 -32.348 1.00 61.21 H new ATOM 0 HG21 VAL A 90 -21.326 7.944 -29.982 1.00 74.42 H new ATOM 0 HG22 VAL A 90 -22.958 7.257 -29.805 1.00 74.42 H new ATOM 0 HG23 VAL A 90 -21.674 6.808 -28.658 1.00 74.42 H new TER 1521 VAL A 90