USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 510 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 NoAdj : A 12 ASNHD21 : A 12 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 12 ASNHD22 : A 12 ASN OD1 : A 101 CACA :(metal ligand) USER MOD Single : A 1 MET CE :methyl 159:sc= -0.0298 (180deg=-0.294) USER MOD Single : A 1 MET N :NH3+ -163:sc= 0 (180deg=-0.295) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0971 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -166:sc= -0.0474 (180deg=-0.371) USER MOD Single : A 27 SER OG : rot 88:sc= 0.0345 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN :FLIP amide:sc= -0.946 F(o=-3.1!,f=-0.95) USER MOD Single : A 36 GLN : amide:sc= -0.222 K(o=-0.22,f=-1.5!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -115:sc= 0 (180deg=-0.427) USER MOD Single : A 44 SER OG : rot 83:sc= 0.161 USER MOD Single : A 50 ASN : amide:sc= -7.9! C(o=-7.9!,f=-14!) USER MOD Single : A 55 GLN : amide:sc= -0.0433 X(o=-0.043,f=0) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -52:sc= 1.12 USER MOD Single : A 66 GLN : amide:sc= -0.3 X(o=-0.3,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.574 3.816 -4.049 1.00 72.44 N ATOM 2 CA MET A 1 -1.657 3.932 -2.598 1.00 5.43 C ATOM 3 C MET A 1 -0.307 3.633 -1.951 1.00 52.42 C ATOM 4 O MET A 1 -0.003 2.484 -1.632 1.00 2.15 O ATOM 5 CB MET A 1 -2.720 2.980 -2.048 1.00 11.42 C ATOM 6 CG MET A 1 -4.046 3.059 -2.787 1.00 11.00 C ATOM 7 SD MET A 1 -5.455 2.663 -1.733 1.00 24.34 S ATOM 8 CE MET A 1 -5.522 4.121 -0.696 1.00 43.03 C ATOM 0 H1 MET A 1 -2.392 4.291 -4.483 1.00 72.44 H new ATOM 0 H2 MET A 1 -0.697 4.263 -4.383 1.00 72.44 H new ATOM 0 H3 MET A 1 -1.575 2.811 -4.318 1.00 72.44 H new ATOM 0 HA MET A 1 -1.938 4.957 -2.356 1.00 5.43 H new ATOM 0 HB2 MET A 1 -2.344 1.958 -2.101 1.00 11.42 H new ATOM 0 HB3 MET A 1 -2.887 3.204 -0.994 1.00 11.42 H new ATOM 0 HG2 MET A 1 -4.172 4.063 -3.193 1.00 11.00 H new ATOM 0 HG3 MET A 1 -4.027 2.373 -3.634 1.00 11.00 H new ATOM 0 HE1 MET A 1 -6.518 4.214 -0.263 1.00 43.03 H new ATOM 0 HE2 MET A 1 -4.786 4.033 0.103 1.00 43.03 H new ATOM 0 HE3 MET A 1 -5.303 5.004 -1.296 1.00 43.03 H new ATOM 18 N ALA A 2 0.497 4.674 -1.762 1.00 44.12 N ATOM 19 CA ALA A 2 1.812 4.523 -1.152 1.00 64.53 C ATOM 20 C ALA A 2 1.930 5.361 0.117 1.00 75.35 C ATOM 21 O ALA A 2 2.008 4.822 1.220 1.00 10.22 O ATOM 22 CB ALA A 2 2.901 4.907 -2.143 1.00 74.12 C ATOM 0 H ALA A 2 0.260 5.631 -2.023 1.00 44.12 H new ATOM 0 HA ALA A 2 1.938 3.476 -0.877 1.00 64.53 H new ATOM 0 HB1 ALA A 2 3.878 4.789 -1.674 1.00 74.12 H new ATOM 0 HB2 ALA A 2 2.839 4.262 -3.019 1.00 74.12 H new ATOM 0 HB3 ALA A 2 2.767 5.945 -2.447 1.00 74.12 H new ATOM 28 N GLU A 3 1.940 6.679 -0.050 1.00 34.25 N ATOM 29 CA GLU A 3 2.048 7.591 1.083 1.00 30.44 C ATOM 30 C GLU A 3 0.669 7.946 1.631 1.00 71.23 C ATOM 31 O GLU A 3 0.532 8.351 2.785 1.00 63.33 O ATOM 32 CB GLU A 3 2.791 8.864 0.674 1.00 72.34 C ATOM 33 CG GLU A 3 2.019 9.726 -0.312 1.00 10.45 C ATOM 34 CD GLU A 3 2.860 10.145 -1.503 1.00 75.04 C ATOM 35 OE1 GLU A 3 4.044 10.485 -1.305 1.00 34.14 O ATOM 36 OE2 GLU A 3 2.331 10.131 -2.634 1.00 42.14 O ATOM 0 H GLU A 3 1.875 7.139 -0.958 1.00 34.25 H new ATOM 0 HA GLU A 3 2.612 7.087 1.868 1.00 30.44 H new ATOM 0 HB2 GLU A 3 3.007 9.451 1.566 1.00 72.34 H new ATOM 0 HB3 GLU A 3 3.749 8.590 0.232 1.00 72.34 H new ATOM 0 HG2 GLU A 3 1.146 9.176 -0.664 1.00 10.45 H new ATOM 0 HG3 GLU A 3 1.651 10.616 0.199 1.00 10.45 H new ATOM 43 N ALA A 4 -0.351 7.791 0.793 1.00 41.32 N ATOM 44 CA ALA A 4 -1.720 8.095 1.191 1.00 33.40 C ATOM 45 C ALA A 4 -2.086 7.376 2.486 1.00 51.41 C ATOM 46 O ALA A 4 -2.949 7.831 3.238 1.00 61.22 O ATOM 47 CB ALA A 4 -2.689 7.714 0.082 1.00 22.03 C ATOM 0 H ALA A 4 -0.255 7.457 -0.166 1.00 41.32 H new ATOM 0 HA ALA A 4 -1.792 9.168 1.368 1.00 33.40 H new ATOM 0 HB1 ALA A 4 -3.707 7.947 0.393 1.00 22.03 H new ATOM 0 HB2 ALA A 4 -2.448 8.276 -0.821 1.00 22.03 H new ATOM 0 HB3 ALA A 4 -2.607 6.646 -0.122 1.00 22.03 H new ATOM 53 N LEU A 5 -1.426 6.251 2.740 1.00 2.30 N ATOM 54 CA LEU A 5 -1.683 5.469 3.944 1.00 31.15 C ATOM 55 C LEU A 5 -1.364 6.278 5.197 1.00 11.21 C ATOM 56 O LEU A 5 -2.068 6.188 6.203 1.00 55.13 O ATOM 57 CB LEU A 5 -0.854 4.183 3.927 1.00 5.43 C ATOM 58 CG LEU A 5 -0.687 3.510 2.565 1.00 24.11 C ATOM 59 CD1 LEU A 5 0.010 2.167 2.716 1.00 22.30 C ATOM 60 CD2 LEU A 5 -2.037 3.339 1.885 1.00 1.42 C ATOM 0 H LEU A 5 -0.709 5.860 2.128 1.00 2.30 H new ATOM 0 HA LEU A 5 -2.742 5.211 3.961 1.00 31.15 H new ATOM 0 HB2 LEU A 5 0.136 4.408 4.323 1.00 5.43 H new ATOM 0 HB3 LEU A 5 -1.315 3.468 4.609 1.00 5.43 H new ATOM 0 HG LEU A 5 -0.066 4.150 1.938 1.00 24.11 H new ATOM 0 HD11 LEU A 5 0.120 1.702 1.736 1.00 22.30 H new ATOM 0 HD12 LEU A 5 0.994 2.316 3.160 1.00 22.30 H new ATOM 0 HD13 LEU A 5 -0.584 1.519 3.360 1.00 22.30 H new ATOM 0 HD21 LEU A 5 -1.898 2.858 0.917 1.00 1.42 H new ATOM 0 HD22 LEU A 5 -2.683 2.720 2.508 1.00 1.42 H new ATOM 0 HD23 LEU A 5 -2.499 4.316 1.742 1.00 1.42 H new ATOM 72 N PHE A 6 -0.298 7.069 5.129 1.00 53.10 N ATOM 73 CA PHE A 6 0.114 7.895 6.258 1.00 31.14 C ATOM 74 C PHE A 6 -0.978 8.895 6.627 1.00 14.21 C ATOM 75 O PHE A 6 -1.346 9.027 7.795 1.00 11.44 O ATOM 76 CB PHE A 6 1.410 8.638 5.927 1.00 34.32 C ATOM 77 CG PHE A 6 1.662 9.826 6.810 1.00 12.13 C ATOM 78 CD1 PHE A 6 1.047 11.041 6.551 1.00 40.42 C ATOM 79 CD2 PHE A 6 2.513 9.730 7.899 1.00 63.10 C ATOM 80 CE1 PHE A 6 1.277 12.137 7.362 1.00 53.41 C ATOM 81 CE2 PHE A 6 2.746 10.822 8.713 1.00 2.11 C ATOM 82 CZ PHE A 6 2.128 12.027 8.444 1.00 61.12 C ATOM 0 H PHE A 6 0.296 7.155 4.304 1.00 53.10 H new ATOM 0 HA PHE A 6 0.286 7.240 7.112 1.00 31.14 H new ATOM 0 HB2 PHE A 6 2.248 7.947 6.014 1.00 34.32 H new ATOM 0 HB3 PHE A 6 1.375 8.968 4.889 1.00 34.32 H new ATOM 0 HD1 PHE A 6 0.381 11.133 5.706 1.00 40.42 H new ATOM 0 HD2 PHE A 6 3.000 8.790 8.114 1.00 63.10 H new ATOM 0 HE1 PHE A 6 0.792 13.078 7.149 1.00 53.41 H new ATOM 0 HE2 PHE A 6 3.411 10.733 9.559 1.00 2.11 H new ATOM 0 HZ PHE A 6 2.310 12.882 9.079 1.00 61.12 H new ATOM 92 N LYS A 7 -1.493 9.598 5.624 1.00 40.01 N ATOM 93 CA LYS A 7 -2.543 10.586 5.841 1.00 71.12 C ATOM 94 C LYS A 7 -3.886 9.907 6.090 1.00 73.40 C ATOM 95 O LYS A 7 -4.759 10.463 6.754 1.00 4.44 O ATOM 96 CB LYS A 7 -2.649 11.521 4.634 1.00 73.51 C ATOM 97 CG LYS A 7 -4.064 11.673 4.105 1.00 40.23 C ATOM 98 CD LYS A 7 -4.111 12.587 2.893 1.00 63.04 C ATOM 99 CE LYS A 7 -4.199 14.050 3.300 1.00 34.02 C ATOM 100 NZ LYS A 7 -5.591 14.441 3.662 1.00 3.04 N ATOM 0 H LYS A 7 -1.200 9.502 4.652 1.00 40.01 H new ATOM 0 HA LYS A 7 -2.281 11.170 6.724 1.00 71.12 H new ATOM 0 HB2 LYS A 7 -2.266 12.503 4.911 1.00 73.51 H new ATOM 0 HB3 LYS A 7 -2.010 11.144 3.836 1.00 73.51 H new ATOM 0 HG2 LYS A 7 -4.461 10.693 3.839 1.00 40.23 H new ATOM 0 HG3 LYS A 7 -4.706 12.074 4.890 1.00 40.23 H new ATOM 0 HD2 LYS A 7 -3.221 12.431 2.284 1.00 63.04 H new ATOM 0 HD3 LYS A 7 -4.970 12.328 2.274 1.00 63.04 H new ATOM 0 HE2 LYS A 7 -3.538 14.232 4.148 1.00 34.02 H new ATOM 0 HE3 LYS A 7 -3.847 14.677 2.481 1.00 34.02 H new ATOM 0 HZ1 LYS A 7 -5.610 15.445 3.934 1.00 3.04 H new ATOM 0 HZ2 LYS A 7 -6.217 14.291 2.845 1.00 3.04 H new ATOM 0 HZ3 LYS A 7 -5.918 13.860 4.460 1.00 3.04 H new ATOM 114 N GLU A 8 -4.042 8.700 5.554 1.00 50.32 N ATOM 115 CA GLU A 8 -5.280 7.946 5.720 1.00 62.12 C ATOM 116 C GLU A 8 -5.489 7.560 7.181 1.00 73.13 C ATOM 117 O GLU A 8 -6.602 7.644 7.702 1.00 10.00 O ATOM 118 CB GLU A 8 -5.258 6.689 4.847 1.00 61.10 C ATOM 119 CG GLU A 8 -6.588 5.955 4.802 1.00 23.04 C ATOM 120 CD GLU A 8 -7.400 6.295 3.569 1.00 50.50 C ATOM 121 OE1 GLU A 8 -6.880 6.114 2.448 1.00 52.42 O ATOM 122 OE2 GLU A 8 -8.556 6.742 3.724 1.00 55.30 O ATOM 0 H GLU A 8 -3.328 8.224 5.002 1.00 50.32 H new ATOM 0 HA GLU A 8 -6.108 8.582 5.408 1.00 62.12 H new ATOM 0 HB2 GLU A 8 -4.971 6.966 3.833 1.00 61.10 H new ATOM 0 HB3 GLU A 8 -4.491 6.011 5.221 1.00 61.10 H new ATOM 0 HG2 GLU A 8 -6.407 4.880 4.828 1.00 23.04 H new ATOM 0 HG3 GLU A 8 -7.166 6.203 5.693 1.00 23.04 H new ATOM 129 N ILE A 9 -4.414 7.136 7.835 1.00 42.13 N ATOM 130 CA ILE A 9 -4.480 6.738 9.236 1.00 62.13 C ATOM 131 C ILE A 9 -4.752 7.937 10.136 1.00 12.35 C ATOM 132 O ILE A 9 -5.250 7.789 11.252 1.00 25.32 O ATOM 133 CB ILE A 9 -3.176 6.056 9.689 1.00 22.30 C ATOM 134 CG1 ILE A 9 -2.956 4.757 8.909 1.00 43.21 C ATOM 135 CG2 ILE A 9 -3.213 5.781 11.185 1.00 12.32 C ATOM 136 CD1 ILE A 9 -3.937 3.664 9.267 1.00 71.41 C ATOM 0 H ILE A 9 -3.486 7.059 7.418 1.00 42.13 H new ATOM 0 HA ILE A 9 -5.302 6.027 9.324 1.00 62.13 H new ATOM 0 HB ILE A 9 -2.343 6.728 9.483 1.00 22.30 H new ATOM 0 HG12 ILE A 9 -3.031 4.966 7.842 1.00 43.21 H new ATOM 0 HG13 ILE A 9 -1.943 4.399 9.093 1.00 43.21 H new ATOM 0 HG21 ILE A 9 -2.284 5.299 11.489 1.00 12.32 H new ATOM 0 HG22 ILE A 9 -3.328 6.721 11.725 1.00 12.32 H new ATOM 0 HG23 ILE A 9 -4.054 5.126 11.414 1.00 12.32 H new ATOM 0 HD11 ILE A 9 -3.721 2.774 8.676 1.00 71.41 H new ATOM 0 HD12 ILE A 9 -3.846 3.427 10.327 1.00 71.41 H new ATOM 0 HD13 ILE A 9 -4.952 4.002 9.056 1.00 71.41 H new ATOM 148 N ASP A 10 -4.424 9.127 9.643 1.00 63.20 N ATOM 149 CA ASP A 10 -4.636 10.354 10.402 1.00 4.22 C ATOM 150 C ASP A 10 -6.083 10.823 10.285 1.00 73.34 C ATOM 151 O ASP A 10 -6.386 11.755 9.540 1.00 55.50 O ATOM 152 CB ASP A 10 -3.690 11.451 9.911 1.00 13.55 C ATOM 153 CG ASP A 10 -2.499 11.643 10.831 1.00 54.22 C ATOM 154 OD1 ASP A 10 -2.677 11.532 12.062 1.00 0.41 O ATOM 155 OD2 ASP A 10 -1.391 11.902 10.319 1.00 61.43 O ATOM 0 H ASP A 10 -4.010 9.268 8.721 1.00 63.20 H new ATOM 0 HA ASP A 10 -4.425 10.145 11.451 1.00 4.22 H new ATOM 0 HB2 ASP A 10 -3.336 11.201 8.911 1.00 13.55 H new ATOM 0 HB3 ASP A 10 -4.238 12.390 9.830 1.00 13.55 H new ATOM 160 N VAL A 11 -6.974 10.168 11.023 1.00 62.03 N ATOM 161 CA VAL A 11 -8.388 10.517 11.002 1.00 74.13 C ATOM 162 C VAL A 11 -8.615 11.924 11.543 1.00 53.31 C ATOM 163 O VAL A 11 -9.682 12.509 11.354 1.00 65.42 O ATOM 164 CB VAL A 11 -9.225 9.521 11.827 1.00 51.25 C ATOM 165 CG1 VAL A 11 -10.711 9.787 11.640 1.00 14.55 C ATOM 166 CG2 VAL A 11 -8.880 8.091 11.443 1.00 30.52 C ATOM 0 H VAL A 11 -6.740 9.392 11.643 1.00 62.03 H new ATOM 0 HA VAL A 11 -8.708 10.475 9.961 1.00 74.13 H new ATOM 0 HB VAL A 11 -8.986 9.659 12.881 1.00 51.25 H new ATOM 0 HG11 VAL A 11 -11.286 9.073 12.231 1.00 14.55 H new ATOM 0 HG12 VAL A 11 -10.943 10.800 11.968 1.00 14.55 H new ATOM 0 HG13 VAL A 11 -10.970 9.678 10.587 1.00 14.55 H new ATOM 0 HG21 VAL A 11 -9.480 7.400 12.035 1.00 30.52 H new ATOM 0 HG22 VAL A 11 -9.089 7.938 10.384 1.00 30.52 H new ATOM 0 HG23 VAL A 11 -7.823 7.908 11.634 1.00 30.52 H new ATOM 176 N ASN A 12 -7.606 12.463 12.217 1.00 2.35 N ATOM 177 CA ASN A 12 -7.695 13.803 12.786 1.00 43.11 C ATOM 178 C ASN A 12 -7.384 14.864 11.734 1.00 61.52 C ATOM 179 O ASN A 12 -7.422 16.060 12.013 1.00 0.42 O ATOM 180 CB ASN A 12 -6.732 13.944 13.967 1.00 64.40 C ATOM 181 CG ASN A 12 -5.377 13.320 13.686 1.00 75.21 C ATOM 182 OD1 ASN A 12 -4.974 13.180 12.531 1.00 3.35 O ATOM 183 ND2 ASN A 12 -4.671 12.940 14.745 1.00 62.23 N ATOM 0 H ASN A 12 -6.716 11.993 12.383 1.00 2.35 H new ATOM 0 HA ASN A 12 -8.716 13.953 13.137 1.00 43.11 H new ATOM 0 HB2 ASN A 12 -6.601 15.000 14.201 1.00 64.40 H new ATOM 0 HB3 ASN A 12 -7.170 13.474 14.848 1.00 64.40 H new ATOM 0 HD21 ASN A 12 -3.754 12.512 14.620 1.00 62.23 H new ATOM 0 HD22 ASN A 12 -5.046 13.076 15.684 1.00 62.23 H new ATOM 190 N GLY A 13 -7.077 14.412 10.520 1.00 15.55 N ATOM 191 CA GLY A 13 -6.765 15.335 9.444 1.00 32.43 C ATOM 192 C GLY A 13 -5.723 16.360 9.843 1.00 51.42 C ATOM 193 O GLY A 13 -5.889 17.554 9.590 1.00 4.14 O ATOM 0 H GLY A 13 -7.039 13.425 10.264 1.00 15.55 H new ATOM 0 HA2 GLY A 13 -6.406 14.774 8.581 1.00 32.43 H new ATOM 0 HA3 GLY A 13 -7.675 15.848 9.135 1.00 32.43 H new ATOM 197 N ASP A 14 -4.647 15.897 10.469 1.00 33.50 N ATOM 198 CA ASP A 14 -3.574 16.783 10.905 1.00 71.53 C ATOM 199 C ASP A 14 -2.334 16.603 10.035 1.00 43.44 C ATOM 200 O ASP A 14 -1.434 17.442 10.038 1.00 10.13 O ATOM 201 CB ASP A 14 -3.227 16.516 12.370 1.00 60.21 C ATOM 202 CG ASP A 14 -2.905 15.057 12.633 1.00 52.14 C ATOM 203 OD1 ASP A 14 -2.791 14.290 11.654 1.00 23.43 O ATOM 204 OD2 ASP A 14 -2.767 14.684 13.816 1.00 12.24 O ATOM 0 H ASP A 14 -4.494 14.912 10.686 1.00 33.50 H new ATOM 0 HA ASP A 14 -3.921 17.811 10.804 1.00 71.53 H new ATOM 0 HB2 ASP A 14 -2.373 17.131 12.656 1.00 60.21 H new ATOM 0 HB3 ASP A 14 -4.063 16.820 13.000 1.00 60.21 H new ATOM 209 N GLY A 15 -2.295 15.503 9.288 1.00 1.25 N ATOM 210 CA GLY A 15 -1.161 15.233 8.424 1.00 30.32 C ATOM 211 C GLY A 15 0.078 14.835 9.201 1.00 11.52 C ATOM 212 O GLY A 15 1.175 14.777 8.646 1.00 1.12 O ATOM 0 H GLY A 15 -3.029 14.795 9.266 1.00 1.25 H new ATOM 0 HA2 GLY A 15 -1.421 14.436 7.727 1.00 30.32 H new ATOM 0 HA3 GLY A 15 -0.943 16.119 7.828 1.00 30.32 H new ATOM 216 N ALA A 16 -0.096 14.562 10.490 1.00 1.22 N ATOM 217 CA ALA A 16 1.018 14.167 11.345 1.00 73.15 C ATOM 218 C ALA A 16 0.642 12.976 12.220 1.00 2.22 C ATOM 219 O ALA A 16 -0.457 12.921 12.774 1.00 45.01 O ATOM 220 CB ALA A 16 1.463 15.339 12.206 1.00 14.42 C ATOM 0 H ALA A 16 -0.997 14.607 10.965 1.00 1.22 H new ATOM 0 HA ALA A 16 1.847 13.866 10.705 1.00 73.15 H new ATOM 0 HB1 ALA A 16 2.295 15.030 12.839 1.00 14.42 H new ATOM 0 HB2 ALA A 16 1.781 16.161 11.565 1.00 14.42 H new ATOM 0 HB3 ALA A 16 0.633 15.667 12.832 1.00 14.42 H new ATOM 226 N VAL A 17 1.561 12.024 12.341 1.00 21.34 N ATOM 227 CA VAL A 17 1.326 10.833 13.150 1.00 3.32 C ATOM 228 C VAL A 17 2.410 10.668 14.211 1.00 74.45 C ATOM 229 O VAL A 17 3.588 10.513 13.890 1.00 74.23 O ATOM 230 CB VAL A 17 1.277 9.564 12.280 1.00 72.23 C ATOM 231 CG1 VAL A 17 0.111 9.630 11.305 1.00 22.31 C ATOM 232 CG2 VAL A 17 2.592 9.375 11.539 1.00 22.31 C ATOM 0 H VAL A 17 2.475 12.054 11.890 1.00 21.34 H new ATOM 0 HA VAL A 17 0.360 10.966 13.638 1.00 3.32 H new ATOM 0 HB VAL A 17 1.127 8.703 12.932 1.00 72.23 H new ATOM 0 HG11 VAL A 17 0.092 8.725 10.698 1.00 22.31 H new ATOM 0 HG12 VAL A 17 -0.823 9.714 11.860 1.00 22.31 H new ATOM 0 HG13 VAL A 17 0.227 10.499 10.657 1.00 22.31 H new ATOM 0 HG21 VAL A 17 2.540 8.473 10.929 1.00 22.31 H new ATOM 0 HG22 VAL A 17 2.775 10.237 10.897 1.00 22.31 H new ATOM 0 HG23 VAL A 17 3.405 9.279 12.259 1.00 22.31 H new ATOM 242 N SER A 18 2.001 10.700 15.475 1.00 1.21 N ATOM 243 CA SER A 18 2.937 10.556 16.584 1.00 11.32 C ATOM 244 C SER A 18 3.239 9.085 16.853 1.00 13.22 C ATOM 245 O SER A 18 2.680 8.197 16.209 1.00 41.50 O ATOM 246 CB SER A 18 2.371 11.212 17.845 1.00 1.34 C ATOM 247 OG SER A 18 0.984 11.465 17.710 1.00 54.03 O ATOM 0 H SER A 18 1.029 10.824 15.757 1.00 1.21 H new ATOM 0 HA SER A 18 3.867 11.055 16.310 1.00 11.32 H new ATOM 0 HB2 SER A 18 2.544 10.564 18.704 1.00 1.34 H new ATOM 0 HB3 SER A 18 2.897 12.147 18.040 1.00 1.34 H new ATOM 0 HG SER A 18 0.646 11.883 18.530 1.00 54.03 H new ATOM 253 N TYR A 19 4.125 8.835 17.811 1.00 11.22 N ATOM 254 CA TYR A 19 4.503 7.473 18.165 1.00 1.11 C ATOM 255 C TYR A 19 3.269 6.593 18.341 1.00 22.32 C ATOM 256 O TYR A 19 3.219 5.470 17.840 1.00 14.40 O ATOM 257 CB TYR A 19 5.333 7.469 19.450 1.00 14.53 C ATOM 258 CG TYR A 19 4.617 8.079 20.635 1.00 31.24 C ATOM 259 CD1 TYR A 19 4.580 9.457 20.816 1.00 64.51 C ATOM 260 CD2 TYR A 19 3.977 7.278 21.573 1.00 35.23 C ATOM 261 CE1 TYR A 19 3.929 10.018 21.897 1.00 73.21 C ATOM 262 CE2 TYR A 19 3.321 7.831 22.655 1.00 33.34 C ATOM 263 CZ TYR A 19 3.300 9.201 22.813 1.00 11.30 C ATOM 264 OH TYR A 19 2.649 9.756 23.891 1.00 12.14 O ATOM 0 H TYR A 19 4.594 9.558 18.356 1.00 11.22 H new ATOM 0 HA TYR A 19 5.104 7.067 17.351 1.00 1.11 H new ATOM 0 HB2 TYR A 19 5.608 6.442 19.692 1.00 14.53 H new ATOM 0 HB3 TYR A 19 6.260 8.015 19.276 1.00 14.53 H new ATOM 0 HD1 TYR A 19 5.069 10.100 20.099 1.00 64.51 H new ATOM 0 HD2 TYR A 19 3.993 6.205 21.454 1.00 35.23 H new ATOM 0 HE1 TYR A 19 3.913 11.090 22.024 1.00 73.21 H new ATOM 0 HE2 TYR A 19 2.827 7.194 23.374 1.00 33.34 H new ATOM 0 HH TYR A 19 2.258 9.044 24.439 1.00 12.14 H new ATOM 274 N GLU A 20 2.277 7.113 19.055 1.00 53.41 N ATOM 275 CA GLU A 20 1.042 6.375 19.297 1.00 60.21 C ATOM 276 C GLU A 20 0.377 5.979 17.981 1.00 3.12 C ATOM 277 O GLU A 20 -0.041 4.836 17.805 1.00 23.42 O ATOM 278 CB GLU A 20 0.076 7.214 20.136 1.00 13.13 C ATOM 279 CG GLU A 20 -0.350 6.539 21.430 1.00 40.14 C ATOM 280 CD GLU A 20 -1.857 6.464 21.580 1.00 65.54 C ATOM 281 OE1 GLU A 20 -2.447 7.421 22.122 1.00 12.20 O ATOM 282 OE2 GLU A 20 -2.446 5.448 21.154 1.00 4.23 O ATOM 0 H GLU A 20 2.303 8.042 19.476 1.00 53.41 H new ATOM 0 HA GLU A 20 1.294 5.467 19.845 1.00 60.21 H new ATOM 0 HB2 GLU A 20 0.547 8.168 20.372 1.00 13.13 H new ATOM 0 HB3 GLU A 20 -0.811 7.435 19.542 1.00 13.13 H new ATOM 0 HG2 GLU A 20 0.065 5.532 21.464 1.00 40.14 H new ATOM 0 HG3 GLU A 20 0.069 7.085 22.275 1.00 40.14 H new ATOM 289 N GLU A 21 0.285 6.935 17.062 1.00 31.31 N ATOM 290 CA GLU A 21 -0.329 6.687 15.763 1.00 75.41 C ATOM 291 C GLU A 21 0.369 5.538 15.041 1.00 15.31 C ATOM 292 O GLU A 21 -0.279 4.689 14.429 1.00 41.20 O ATOM 293 CB GLU A 21 -0.281 7.950 14.901 1.00 21.52 C ATOM 294 CG GLU A 21 -1.136 9.087 15.437 1.00 62.40 C ATOM 295 CD GLU A 21 -1.767 9.912 14.334 1.00 73.31 C ATOM 296 OE1 GLU A 21 -2.202 9.319 13.324 1.00 31.32 O ATOM 297 OE2 GLU A 21 -1.828 11.150 14.479 1.00 1.32 O ATOM 0 H GLU A 21 0.627 7.887 17.193 1.00 31.31 H new ATOM 0 HA GLU A 21 -1.370 6.409 15.930 1.00 75.41 H new ATOM 0 HB2 GLU A 21 0.752 8.289 14.825 1.00 21.52 H new ATOM 0 HB3 GLU A 21 -0.611 7.703 13.892 1.00 21.52 H new ATOM 0 HG2 GLU A 21 -1.920 8.678 16.074 1.00 62.40 H new ATOM 0 HG3 GLU A 21 -0.522 9.734 16.064 1.00 62.40 H new ATOM 304 N VAL A 22 1.696 5.519 15.117 1.00 2.01 N ATOM 305 CA VAL A 22 2.484 4.475 14.472 1.00 13.02 C ATOM 306 C VAL A 22 2.147 3.101 15.041 1.00 53.43 C ATOM 307 O VAL A 22 1.797 2.180 14.303 1.00 1.14 O ATOM 308 CB VAL A 22 3.994 4.730 14.636 1.00 71.34 C ATOM 309 CG1 VAL A 22 4.794 3.533 14.146 1.00 62.24 C ATOM 310 CG2 VAL A 22 4.403 5.994 13.894 1.00 2.14 C ATOM 0 H VAL A 22 2.248 6.215 15.619 1.00 2.01 H new ATOM 0 HA VAL A 22 2.232 4.498 13.412 1.00 13.02 H new ATOM 0 HB VAL A 22 4.209 4.871 15.695 1.00 71.34 H new ATOM 0 HG11 VAL A 22 5.859 3.732 14.270 1.00 62.24 H new ATOM 0 HG12 VAL A 22 4.520 2.651 14.724 1.00 62.24 H new ATOM 0 HG13 VAL A 22 4.578 3.358 13.092 1.00 62.24 H new ATOM 0 HG21 VAL A 22 5.473 6.160 14.020 1.00 2.14 H new ATOM 0 HG22 VAL A 22 4.175 5.883 12.834 1.00 2.14 H new ATOM 0 HG23 VAL A 22 3.854 6.846 14.296 1.00 2.14 H new ATOM 320 N LYS A 23 2.254 2.970 16.359 1.00 50.44 N ATOM 321 CA LYS A 23 1.959 1.710 17.029 1.00 71.20 C ATOM 322 C LYS A 23 0.546 1.236 16.700 1.00 45.12 C ATOM 323 O LYS A 23 0.297 0.037 16.577 1.00 21.14 O ATOM 324 CB LYS A 23 2.116 1.866 18.543 1.00 14.15 C ATOM 325 CG LYS A 23 3.311 1.119 19.112 1.00 75.44 C ATOM 326 CD LYS A 23 3.114 -0.386 19.036 1.00 72.21 C ATOM 327 CE LYS A 23 1.936 -0.837 19.887 1.00 23.53 C ATOM 328 NZ LYS A 23 2.060 -0.374 21.296 1.00 34.23 N ATOM 0 H LYS A 23 2.543 3.722 16.984 1.00 50.44 H new ATOM 0 HA LYS A 23 2.667 0.962 16.671 1.00 71.20 H new ATOM 0 HB2 LYS A 23 2.213 2.925 18.782 1.00 14.15 H new ATOM 0 HB3 LYS A 23 1.209 1.510 19.032 1.00 14.15 H new ATOM 0 HG2 LYS A 23 4.211 1.398 18.563 1.00 75.44 H new ATOM 0 HG3 LYS A 23 3.466 1.415 20.150 1.00 75.44 H new ATOM 0 HD2 LYS A 23 2.950 -0.681 18.000 1.00 72.21 H new ATOM 0 HD3 LYS A 23 4.020 -0.890 19.371 1.00 72.21 H new ATOM 0 HE2 LYS A 23 1.010 -0.453 19.459 1.00 23.53 H new ATOM 0 HE3 LYS A 23 1.869 -1.925 19.867 1.00 23.53 H new ATOM 0 HZ1 LYS A 23 1.380 -0.888 21.891 1.00 34.23 H new ATOM 0 HZ2 LYS A 23 3.025 -0.556 21.637 1.00 34.23 H new ATOM 0 HZ3 LYS A 23 1.862 0.646 21.345 1.00 34.23 H new ATOM 342 N ALA A 24 -0.374 2.185 16.557 1.00 24.35 N ATOM 343 CA ALA A 24 -1.758 1.863 16.239 1.00 50.45 C ATOM 344 C ALA A 24 -1.881 1.307 14.824 1.00 73.44 C ATOM 345 O ALA A 24 -2.607 0.340 14.587 1.00 23.34 O ATOM 346 CB ALA A 24 -2.637 3.095 16.402 1.00 71.44 C ATOM 0 H ALA A 24 -0.185 3.182 16.657 1.00 24.35 H new ATOM 0 HA ALA A 24 -2.095 1.094 16.934 1.00 50.45 H new ATOM 0 HB1 ALA A 24 -3.669 2.840 16.161 1.00 71.44 H new ATOM 0 HB2 ALA A 24 -2.581 3.448 17.432 1.00 71.44 H new ATOM 0 HB3 ALA A 24 -2.291 3.880 15.730 1.00 71.44 H new ATOM 352 N PHE A 25 -1.170 1.924 13.887 1.00 61.22 N ATOM 353 CA PHE A 25 -1.202 1.491 12.494 1.00 22.24 C ATOM 354 C PHE A 25 -0.920 -0.005 12.383 1.00 24.23 C ATOM 355 O PHE A 25 -1.682 -0.748 11.766 1.00 11.33 O ATOM 356 CB PHE A 25 -0.179 2.277 11.671 1.00 61.44 C ATOM 357 CG PHE A 25 -0.477 2.288 10.198 1.00 12.23 C ATOM 358 CD1 PHE A 25 -1.493 1.505 9.678 1.00 71.14 C ATOM 359 CD2 PHE A 25 0.260 3.084 9.335 1.00 33.41 C ATOM 360 CE1 PHE A 25 -1.769 1.513 8.324 1.00 44.23 C ATOM 361 CE2 PHE A 25 -0.012 3.097 7.980 1.00 4.23 C ATOM 362 CZ PHE A 25 -1.029 2.311 7.474 1.00 25.03 C ATOM 0 H PHE A 25 -0.565 2.725 14.066 1.00 61.22 H new ATOM 0 HA PHE A 25 -2.200 1.685 12.101 1.00 22.24 H new ATOM 0 HB2 PHE A 25 -0.144 3.304 12.034 1.00 61.44 H new ATOM 0 HB3 PHE A 25 0.810 1.848 11.830 1.00 61.44 H new ATOM 0 HD1 PHE A 25 -2.077 0.881 10.338 1.00 71.14 H new ATOM 0 HD2 PHE A 25 1.056 3.701 9.726 1.00 33.41 H new ATOM 0 HE1 PHE A 25 -2.563 0.895 7.931 1.00 44.23 H new ATOM 0 HE2 PHE A 25 0.570 3.721 7.318 1.00 4.23 H new ATOM 0 HZ PHE A 25 -1.245 2.321 6.416 1.00 25.03 H new ATOM 372 N VAL A 26 0.184 -0.439 12.986 1.00 74.14 N ATOM 373 CA VAL A 26 0.567 -1.845 12.956 1.00 60.23 C ATOM 374 C VAL A 26 -0.389 -2.694 13.788 1.00 24.12 C ATOM 375 O VAL A 26 -0.602 -3.871 13.498 1.00 55.21 O ATOM 376 CB VAL A 26 2.002 -2.047 13.478 1.00 14.31 C ATOM 377 CG1 VAL A 26 1.992 -2.332 14.971 1.00 32.55 C ATOM 378 CG2 VAL A 26 2.693 -3.168 12.717 1.00 72.32 C ATOM 0 H VAL A 26 0.827 0.163 13.500 1.00 74.14 H new ATOM 0 HA VAL A 26 0.518 -2.164 11.915 1.00 60.23 H new ATOM 0 HB VAL A 26 2.563 -1.127 13.312 1.00 14.31 H new ATOM 0 HG11 VAL A 26 3.015 -2.472 15.322 1.00 32.55 H new ATOM 0 HG12 VAL A 26 1.539 -1.493 15.499 1.00 32.55 H new ATOM 0 HG13 VAL A 26 1.415 -3.236 15.165 1.00 32.55 H new ATOM 0 HG21 VAL A 26 3.706 -3.297 13.099 1.00 72.32 H new ATOM 0 HG22 VAL A 26 2.135 -4.095 12.849 1.00 72.32 H new ATOM 0 HG23 VAL A 26 2.734 -2.917 11.657 1.00 72.32 H new ATOM 388 N SER A 27 -0.960 -2.088 14.823 1.00 53.43 N ATOM 389 CA SER A 27 -1.891 -2.788 15.700 1.00 73.25 C ATOM 390 C SER A 27 -3.145 -3.208 14.938 1.00 63.13 C ATOM 391 O SER A 27 -3.840 -4.145 15.330 1.00 35.20 O ATOM 392 CB SER A 27 -2.276 -1.900 16.885 1.00 24.31 C ATOM 393 OG SER A 27 -1.429 -2.139 17.997 1.00 75.24 O ATOM 0 H SER A 27 -0.794 -1.114 15.075 1.00 53.43 H new ATOM 0 HA SER A 27 -1.395 -3.684 16.072 1.00 73.25 H new ATOM 0 HB2 SER A 27 -2.212 -0.852 16.594 1.00 24.31 H new ATOM 0 HB3 SER A 27 -3.312 -2.091 17.165 1.00 24.31 H new ATOM 0 HG SER A 27 -0.636 -1.567 17.933 1.00 75.24 H new ATOM 399 N LYS A 28 -3.428 -2.507 13.845 1.00 5.03 N ATOM 400 CA LYS A 28 -4.595 -2.805 13.024 1.00 14.11 C ATOM 401 C LYS A 28 -4.382 -4.083 12.219 1.00 74.11 C ATOM 402 O LYS A 28 -5.301 -4.577 11.566 1.00 41.23 O ATOM 403 CB LYS A 28 -4.892 -1.638 12.080 1.00 42.22 C ATOM 404 CG LYS A 28 -5.494 -0.429 12.777 1.00 22.31 C ATOM 405 CD LYS A 28 -6.883 -0.729 13.315 1.00 61.43 C ATOM 406 CE LYS A 28 -7.852 -1.072 12.193 1.00 22.34 C ATOM 407 NZ LYS A 28 -9.234 -0.606 12.494 1.00 4.32 N ATOM 0 H LYS A 28 -2.864 -1.727 13.507 1.00 5.03 H new ATOM 0 HA LYS A 28 -5.447 -2.953 13.688 1.00 14.11 H new ATOM 0 HB2 LYS A 28 -3.969 -1.339 11.584 1.00 42.22 H new ATOM 0 HB3 LYS A 28 -5.576 -1.976 11.302 1.00 42.22 H new ATOM 0 HG2 LYS A 28 -4.845 -0.120 13.596 1.00 22.31 H new ATOM 0 HG3 LYS A 28 -5.546 0.406 12.078 1.00 22.31 H new ATOM 0 HD2 LYS A 28 -6.830 -1.560 14.019 1.00 61.43 H new ATOM 0 HD3 LYS A 28 -7.255 0.134 13.868 1.00 61.43 H new ATOM 0 HE2 LYS A 28 -7.509 -0.616 11.264 1.00 22.34 H new ATOM 0 HE3 LYS A 28 -7.858 -2.151 12.035 1.00 22.34 H new ATOM 0 HZ1 LYS A 28 -9.865 -0.858 11.706 1.00 4.32 H new ATOM 0 HZ2 LYS A 28 -9.571 -1.060 13.367 1.00 4.32 H new ATOM 0 HZ3 LYS A 28 -9.233 0.426 12.620 1.00 4.32 H new ATOM 421 N LYS A 29 -3.166 -4.615 12.272 1.00 0.43 N ATOM 422 CA LYS A 29 -2.833 -5.837 11.550 1.00 32.14 C ATOM 423 C LYS A 29 -2.658 -7.007 12.513 1.00 74.41 C ATOM 424 O LYS A 29 -2.795 -8.168 12.126 1.00 14.41 O ATOM 425 CB LYS A 29 -1.554 -5.639 10.734 1.00 21.24 C ATOM 426 CG LYS A 29 -1.483 -4.294 10.030 1.00 75.40 C ATOM 427 CD LYS A 29 -2.715 -4.048 9.175 1.00 33.01 C ATOM 428 CE LYS A 29 -2.862 -5.105 8.092 1.00 63.41 C ATOM 429 NZ LYS A 29 -3.359 -4.523 6.814 1.00 73.23 N ATOM 0 H LYS A 29 -2.394 -4.219 12.808 1.00 0.43 H new ATOM 0 HA LYS A 29 -3.657 -6.066 10.874 1.00 32.14 H new ATOM 0 HB2 LYS A 29 -0.693 -5.740 11.394 1.00 21.24 H new ATOM 0 HB3 LYS A 29 -1.481 -6.433 9.991 1.00 21.24 H new ATOM 0 HG2 LYS A 29 -1.388 -3.499 10.770 1.00 75.40 H new ATOM 0 HG3 LYS A 29 -0.591 -4.256 9.405 1.00 75.40 H new ATOM 0 HD2 LYS A 29 -3.603 -4.047 9.807 1.00 33.01 H new ATOM 0 HD3 LYS A 29 -2.649 -3.062 8.716 1.00 33.01 H new ATOM 0 HE2 LYS A 29 -1.899 -5.587 7.922 1.00 63.41 H new ATOM 0 HE3 LYS A 29 -3.551 -5.879 8.431 1.00 63.41 H new ATOM 0 HZ1 LYS A 29 -3.446 -5.275 6.101 1.00 73.23 H new ATOM 0 HZ2 LYS A 29 -4.289 -4.085 6.971 1.00 73.23 H new ATOM 0 HZ3 LYS A 29 -2.689 -3.802 6.477 1.00 73.23 H new ATOM 443 N ARG A 30 -2.356 -6.694 13.769 1.00 32.20 N ATOM 444 CA ARG A 30 -2.164 -7.720 14.787 1.00 3.14 C ATOM 445 C ARG A 30 -1.936 -7.089 16.158 1.00 72.00 C ATOM 446 O ARG A 30 -2.040 -5.874 16.318 1.00 43.20 O ATOM 447 CB ARG A 30 -0.978 -8.614 14.422 1.00 0.22 C ATOM 448 CG ARG A 30 0.300 -7.843 14.134 1.00 12.04 C ATOM 449 CD ARG A 30 0.970 -8.332 12.859 1.00 42.30 C ATOM 450 NE ARG A 30 1.053 -9.788 12.808 1.00 71.40 N ATOM 451 CZ ARG A 30 1.225 -10.476 11.683 1.00 13.41 C ATOM 452 NH1 ARG A 30 1.331 -9.841 10.525 1.00 60.14 N ATOM 453 NH2 ARG A 30 1.291 -11.801 11.718 1.00 13.43 N ATOM 0 H ARG A 30 -2.239 -5.738 14.106 1.00 32.20 H new ATOM 0 HA ARG A 30 -3.068 -8.327 14.831 1.00 3.14 H new ATOM 0 HB2 ARG A 30 -0.795 -9.312 15.239 1.00 0.22 H new ATOM 0 HB3 ARG A 30 -1.238 -9.209 13.547 1.00 0.22 H new ATOM 0 HG2 ARG A 30 0.073 -6.781 14.043 1.00 12.04 H new ATOM 0 HG3 ARG A 30 0.988 -7.951 14.972 1.00 12.04 H new ATOM 0 HD2 ARG A 30 0.412 -7.970 11.995 1.00 42.30 H new ATOM 0 HD3 ARG A 30 1.972 -7.909 12.791 1.00 42.30 H new ATOM 0 HE ARG A 30 0.975 -10.306 13.683 1.00 71.40 H new ATOM 0 HH11 ARG A 30 1.281 -8.823 10.495 1.00 60.14 H new ATOM 0 HH12 ARG A 30 1.463 -10.370 9.663 1.00 60.14 H new ATOM 0 HH21 ARG A 30 1.210 -12.292 12.608 1.00 13.43 H new ATOM 0 HH22 ARG A 30 1.423 -12.328 10.855 1.00 13.43 H new ATOM 467 N ALA A 31 -1.626 -7.925 17.144 1.00 63.11 N ATOM 468 CA ALA A 31 -1.382 -7.450 18.500 1.00 52.11 C ATOM 469 C ALA A 31 0.066 -7.689 18.914 1.00 53.15 C ATOM 470 O ALA A 31 0.417 -8.774 19.379 1.00 1.32 O ATOM 471 CB ALA A 31 -2.332 -8.130 19.476 1.00 5.22 C ATOM 0 H ALA A 31 -1.538 -8.935 17.029 1.00 63.11 H new ATOM 0 HA ALA A 31 -1.565 -6.376 18.521 1.00 52.11 H new ATOM 0 HB1 ALA A 31 -2.139 -7.766 20.485 1.00 5.22 H new ATOM 0 HB2 ALA A 31 -3.362 -7.903 19.199 1.00 5.22 H new ATOM 0 HB3 ALA A 31 -2.177 -9.208 19.443 1.00 5.22 H new ATOM 477 N ILE A 32 0.901 -6.670 18.741 1.00 70.21 N ATOM 478 CA ILE A 32 2.312 -6.771 19.097 1.00 75.22 C ATOM 479 C ILE A 32 2.764 -5.555 19.898 1.00 44.21 C ATOM 480 O ILE A 32 3.002 -4.483 19.340 1.00 62.34 O ATOM 481 CB ILE A 32 3.199 -6.909 17.847 1.00 4.43 C ATOM 482 CG1 ILE A 32 2.810 -5.861 16.801 1.00 63.22 C ATOM 483 CG2 ILE A 32 3.086 -8.311 17.268 1.00 52.21 C ATOM 484 CD1 ILE A 32 3.997 -5.162 16.176 1.00 44.24 C ATOM 0 H ILE A 32 0.626 -5.766 18.357 1.00 70.21 H new ATOM 0 HA ILE A 32 2.421 -7.667 19.709 1.00 75.22 H new ATOM 0 HB ILE A 32 4.236 -6.740 18.136 1.00 4.43 H new ATOM 0 HG12 ILE A 32 2.227 -6.342 16.016 1.00 63.22 H new ATOM 0 HG13 ILE A 32 2.164 -5.117 17.267 1.00 63.22 H new ATOM 0 HG21 ILE A 32 3.719 -8.392 16.385 1.00 52.21 H new ATOM 0 HG22 ILE A 32 3.407 -9.039 18.013 1.00 52.21 H new ATOM 0 HG23 ILE A 32 2.050 -8.508 16.991 1.00 52.21 H new ATOM 0 HD11 ILE A 32 3.647 -4.433 15.445 1.00 44.24 H new ATOM 0 HD12 ILE A 32 4.569 -4.652 16.951 1.00 44.24 H new ATOM 0 HD13 ILE A 32 4.632 -5.896 15.681 1.00 44.24 H new ATOM 496 N LYS A 33 2.882 -5.728 21.210 1.00 3.15 N ATOM 497 CA LYS A 33 3.310 -4.646 22.089 1.00 41.30 C ATOM 498 C LYS A 33 4.830 -4.520 22.098 1.00 22.52 C ATOM 499 O LYS A 33 5.525 -5.331 22.710 1.00 0.30 O ATOM 500 CB LYS A 33 2.800 -4.885 23.512 1.00 52.15 C ATOM 501 CG LYS A 33 3.150 -6.256 24.062 1.00 63.31 C ATOM 502 CD LYS A 33 3.856 -6.154 25.404 1.00 51.03 C ATOM 503 CE LYS A 33 3.485 -7.312 26.317 1.00 21.43 C ATOM 504 NZ LYS A 33 4.247 -7.275 27.597 1.00 64.43 N ATOM 0 H LYS A 33 2.687 -6.608 21.688 1.00 3.15 H new ATOM 0 HA LYS A 33 2.888 -3.716 21.709 1.00 41.30 H new ATOM 0 HB2 LYS A 33 3.215 -4.122 24.170 1.00 52.15 H new ATOM 0 HB3 LYS A 33 1.717 -4.763 23.526 1.00 52.15 H new ATOM 0 HG2 LYS A 33 2.241 -6.848 24.172 1.00 63.31 H new ATOM 0 HG3 LYS A 33 3.789 -6.782 23.352 1.00 63.31 H new ATOM 0 HD2 LYS A 33 4.935 -6.142 25.249 1.00 51.03 H new ATOM 0 HD3 LYS A 33 3.593 -5.212 25.884 1.00 51.03 H new ATOM 0 HE2 LYS A 33 2.416 -7.279 26.529 1.00 21.43 H new ATOM 0 HE3 LYS A 33 3.680 -8.255 25.805 1.00 21.43 H new ATOM 0 HZ1 LYS A 33 3.966 -8.080 28.192 1.00 64.43 H new ATOM 0 HZ2 LYS A 33 5.266 -7.332 27.396 1.00 64.43 H new ATOM 0 HZ3 LYS A 33 4.042 -6.387 28.098 1.00 64.43 H new ATOM 518 N ASN A 34 5.340 -3.500 21.416 1.00 2.14 N ATOM 519 CA ASN A 34 6.778 -3.269 21.347 1.00 70.01 C ATOM 520 C ASN A 34 7.129 -1.869 21.844 1.00 35.41 C ATOM 521 O ASN A 34 6.956 -0.885 21.128 1.00 51.30 O ATOM 522 CB ASN A 34 7.277 -3.451 19.912 1.00 61.33 C ATOM 523 CG ASN A 34 7.086 -4.869 19.410 1.00 70.30 C ATOM 524 OD1 ASN A 34 6.193 -5.040 18.442 1.00 42.12 O flip ATOM 525 ND2 ASN A 34 7.735 -5.801 19.887 1.00 62.13 N flip ATOM 0 H ASN A 34 4.779 -2.820 20.903 1.00 2.14 H new ATOM 0 HA ASN A 34 7.269 -3.999 21.991 1.00 70.01 H new ATOM 0 HB2 ASN A 34 6.747 -2.761 19.255 1.00 61.33 H new ATOM 0 HB3 ASN A 34 8.334 -3.190 19.862 1.00 61.33 H new ATOM 0 HD21 ASN A 34 8.411 -5.624 20.630 1.00 62.13 H new ATOM 0 HD22 ASN A 34 7.596 -6.750 19.539 1.00 62.13 H new ATOM 532 N GLU A 35 7.623 -1.792 23.077 1.00 60.44 N ATOM 533 CA GLU A 35 7.998 -0.514 23.670 1.00 64.12 C ATOM 534 C GLU A 35 9.301 0.004 23.067 1.00 74.12 C ATOM 535 O GLU A 35 9.430 1.191 22.771 1.00 40.02 O ATOM 536 CB GLU A 35 8.144 -0.654 25.186 1.00 41.00 C ATOM 537 CG GLU A 35 7.384 0.402 25.971 1.00 33.43 C ATOM 538 CD GLU A 35 7.716 1.812 25.525 1.00 41.30 C ATOM 539 OE1 GLU A 35 8.895 2.208 25.638 1.00 14.43 O ATOM 540 OE2 GLU A 35 6.797 2.520 25.062 1.00 62.02 O ATOM 0 H GLU A 35 7.772 -2.599 23.683 1.00 60.44 H new ATOM 0 HA GLU A 35 7.207 0.204 23.454 1.00 64.12 H new ATOM 0 HB2 GLU A 35 7.793 -1.641 25.487 1.00 41.00 H new ATOM 0 HB3 GLU A 35 9.201 -0.598 25.447 1.00 41.00 H new ATOM 0 HG2 GLU A 35 6.313 0.232 25.859 1.00 33.43 H new ATOM 0 HG3 GLU A 35 7.614 0.297 27.031 1.00 33.43 H new ATOM 547 N GLN A 36 10.263 -0.896 22.891 1.00 3.22 N ATOM 548 CA GLN A 36 11.556 -0.530 22.325 1.00 1.44 C ATOM 549 C GLN A 36 11.436 -0.240 20.833 1.00 73.11 C ATOM 550 O GLN A 36 11.922 0.781 20.346 1.00 4.32 O ATOM 551 CB GLN A 36 12.574 -1.647 22.560 1.00 23.15 C ATOM 552 CG GLN A 36 13.839 -1.502 21.730 1.00 41.20 C ATOM 553 CD GLN A 36 15.099 -1.722 22.542 1.00 10.12 C ATOM 554 OE1 GLN A 36 15.061 -2.317 23.619 1.00 31.05 O ATOM 555 NE2 GLN A 36 16.227 -1.242 22.030 1.00 13.22 N ATOM 0 H GLN A 36 10.172 -1.883 23.132 1.00 3.22 H new ATOM 0 HA GLN A 36 11.899 0.376 22.825 1.00 1.44 H new ATOM 0 HB2 GLN A 36 12.843 -1.666 23.616 1.00 23.15 H new ATOM 0 HB3 GLN A 36 12.108 -2.606 22.332 1.00 23.15 H new ATOM 0 HG2 GLN A 36 13.813 -2.216 20.907 1.00 41.20 H new ATOM 0 HG3 GLN A 36 13.866 -0.506 21.287 1.00 41.20 H new ATOM 0 HE21 GLN A 36 16.214 -0.755 21.134 1.00 13.22 H new ATOM 0 HE22 GLN A 36 17.106 -1.361 22.533 1.00 13.22 H new ATOM 564 N LEU A 37 10.785 -1.146 20.110 1.00 13.23 N ATOM 565 CA LEU A 37 10.601 -0.989 18.673 1.00 71.24 C ATOM 566 C LEU A 37 9.803 0.274 18.360 1.00 24.52 C ATOM 567 O LEU A 37 10.092 0.980 17.393 1.00 14.43 O ATOM 568 CB LEU A 37 9.888 -2.212 18.093 1.00 13.13 C ATOM 569 CG LEU A 37 10.093 -2.463 16.599 1.00 74.13 C ATOM 570 CD1 LEU A 37 11.408 -3.185 16.354 1.00 74.41 C ATOM 571 CD2 LEU A 37 8.929 -3.261 16.027 1.00 20.21 C ATOM 0 H LEU A 37 10.376 -1.997 20.497 1.00 13.23 H new ATOM 0 HA LEU A 37 11.586 -0.898 18.214 1.00 71.24 H new ATOM 0 HB2 LEU A 37 10.222 -3.095 18.638 1.00 13.13 H new ATOM 0 HB3 LEU A 37 8.819 -2.107 18.280 1.00 13.13 H new ATOM 0 HG LEU A 37 10.132 -1.500 16.091 1.00 74.13 H new ATOM 0 HD11 LEU A 37 11.536 -3.355 15.285 1.00 74.41 H new ATOM 0 HD12 LEU A 37 12.232 -2.576 16.726 1.00 74.41 H new ATOM 0 HD13 LEU A 37 11.400 -4.142 16.875 1.00 74.41 H new ATOM 0 HD21 LEU A 37 9.092 -3.430 14.963 1.00 20.21 H new ATOM 0 HD22 LEU A 37 8.858 -4.220 16.540 1.00 20.21 H new ATOM 0 HD23 LEU A 37 8.002 -2.705 16.168 1.00 20.21 H new ATOM 583 N LEU A 38 8.800 0.552 19.186 1.00 50.13 N ATOM 584 CA LEU A 38 7.962 1.731 18.999 1.00 40.42 C ATOM 585 C LEU A 38 8.783 3.009 19.130 1.00 40.41 C ATOM 586 O LEU A 38 8.692 3.905 18.291 1.00 41.33 O ATOM 587 CB LEU A 38 6.823 1.737 20.020 1.00 53.15 C ATOM 588 CG LEU A 38 5.934 2.983 20.028 1.00 22.52 C ATOM 589 CD1 LEU A 38 6.555 4.074 20.886 1.00 55.11 C ATOM 590 CD2 LEU A 38 5.705 3.482 18.609 1.00 12.53 C ATOM 0 H LEU A 38 8.548 -0.022 19.990 1.00 50.13 H new ATOM 0 HA LEU A 38 7.542 1.692 17.994 1.00 40.42 H new ATOM 0 HB2 LEU A 38 6.193 0.867 19.836 1.00 53.15 H new ATOM 0 HB3 LEU A 38 7.253 1.615 21.014 1.00 53.15 H new ATOM 0 HG LEU A 38 4.969 2.717 20.458 1.00 22.52 H new ATOM 0 HD11 LEU A 38 5.910 4.953 20.881 1.00 55.11 H new ATOM 0 HD12 LEU A 38 6.668 3.713 21.908 1.00 55.11 H new ATOM 0 HD13 LEU A 38 7.533 4.340 20.485 1.00 55.11 H new ATOM 0 HD21 LEU A 38 5.071 4.368 18.633 1.00 12.53 H new ATOM 0 HD22 LEU A 38 6.663 3.733 18.153 1.00 12.53 H new ATOM 0 HD23 LEU A 38 5.217 2.703 18.024 1.00 12.53 H new ATOM 602 N GLN A 39 9.587 3.086 20.186 1.00 71.31 N ATOM 603 CA GLN A 39 10.426 4.254 20.425 1.00 74.34 C ATOM 604 C GLN A 39 11.457 4.420 19.313 1.00 33.12 C ATOM 605 O GLN A 39 11.588 5.496 18.728 1.00 33.45 O ATOM 606 CB GLN A 39 11.130 4.135 21.777 1.00 24.45 C ATOM 607 CG GLN A 39 11.144 5.430 22.572 1.00 20.14 C ATOM 608 CD GLN A 39 12.267 6.359 22.155 1.00 20.24 C ATOM 609 OE1 GLN A 39 12.104 7.184 21.255 1.00 33.13 O ATOM 610 NE2 GLN A 39 13.415 6.230 22.809 1.00 3.01 N ATOM 0 H GLN A 39 9.675 2.353 20.890 1.00 71.31 H new ATOM 0 HA GLN A 39 9.784 5.135 20.435 1.00 74.34 H new ATOM 0 HB2 GLN A 39 10.638 3.362 22.367 1.00 24.45 H new ATOM 0 HB3 GLN A 39 12.157 3.807 21.615 1.00 24.45 H new ATOM 0 HG2 GLN A 39 10.189 5.940 22.445 1.00 20.14 H new ATOM 0 HG3 GLN A 39 11.243 5.200 23.633 1.00 20.14 H new ATOM 0 HE21 GLN A 39 13.505 5.533 23.548 1.00 3.01 H new ATOM 0 HE22 GLN A 39 14.207 6.828 22.573 1.00 3.01 H new ATOM 619 N LEU A 40 12.187 3.348 19.027 1.00 21.44 N ATOM 620 CA LEU A 40 13.209 3.375 17.985 1.00 72.31 C ATOM 621 C LEU A 40 12.593 3.701 16.628 1.00 20.33 C ATOM 622 O LEU A 40 13.051 4.606 15.930 1.00 62.01 O ATOM 623 CB LEU A 40 13.934 2.029 17.919 1.00 14.42 C ATOM 624 CG LEU A 40 15.442 2.090 17.677 1.00 11.15 C ATOM 625 CD1 LEU A 40 16.015 0.690 17.524 1.00 33.41 C ATOM 626 CD2 LEU A 40 15.751 2.933 16.450 1.00 63.01 C ATOM 0 H LEU A 40 12.091 2.450 19.501 1.00 21.44 H new ATOM 0 HA LEU A 40 13.928 4.156 18.235 1.00 72.31 H new ATOM 0 HB2 LEU A 40 13.758 1.498 18.854 1.00 14.42 H new ATOM 0 HB3 LEU A 40 13.483 1.434 17.125 1.00 14.42 H new ATOM 0 HG LEU A 40 15.911 2.559 18.542 1.00 11.15 H new ATOM 0 HD11 LEU A 40 17.090 0.753 17.352 1.00 33.41 H new ATOM 0 HD12 LEU A 40 15.826 0.118 18.432 1.00 33.41 H new ATOM 0 HD13 LEU A 40 15.541 0.193 16.677 1.00 33.41 H new ATOM 0 HD21 LEU A 40 16.829 2.965 16.293 1.00 63.01 H new ATOM 0 HD22 LEU A 40 15.270 2.494 15.576 1.00 63.01 H new ATOM 0 HD23 LEU A 40 15.376 3.945 16.600 1.00 63.01 H new ATOM 638 N ILE A 41 11.555 2.958 16.262 1.00 54.23 N ATOM 639 CA ILE A 41 10.874 3.172 14.990 1.00 33.44 C ATOM 640 C ILE A 41 10.257 4.564 14.922 1.00 13.02 C ATOM 641 O ILE A 41 10.189 5.174 13.855 1.00 73.10 O ATOM 642 CB ILE A 41 9.771 2.122 14.758 1.00 23.03 C ATOM 643 CG1 ILE A 41 10.390 0.740 14.539 1.00 25.51 C ATOM 644 CG2 ILE A 41 8.907 2.516 13.571 1.00 73.31 C ATOM 645 CD1 ILE A 41 11.217 0.642 13.276 1.00 61.15 C ATOM 0 H ILE A 41 11.167 2.203 16.827 1.00 54.23 H new ATOM 0 HA ILE A 41 11.628 3.074 14.209 1.00 33.44 H new ATOM 0 HB ILE A 41 9.138 2.079 15.644 1.00 23.03 H new ATOM 0 HG12 ILE A 41 11.018 0.492 15.395 1.00 25.51 H new ATOM 0 HG13 ILE A 41 9.594 -0.004 14.501 1.00 25.51 H new ATOM 0 HG21 ILE A 41 8.132 1.764 13.420 1.00 73.31 H new ATOM 0 HG22 ILE A 41 8.442 3.483 13.764 1.00 73.31 H new ATOM 0 HG23 ILE A 41 9.526 2.584 12.677 1.00 73.31 H new ATOM 0 HD11 ILE A 41 11.625 -0.365 13.185 1.00 61.15 H new ATOM 0 HD12 ILE A 41 10.589 0.858 12.412 1.00 61.15 H new ATOM 0 HD13 ILE A 41 12.034 1.362 13.319 1.00 61.15 H new ATOM 657 N PHE A 42 9.810 5.063 16.070 1.00 13.15 N ATOM 658 CA PHE A 42 9.200 6.385 16.142 1.00 52.32 C ATOM 659 C PHE A 42 10.171 7.461 15.663 1.00 74.13 C ATOM 660 O PHE A 42 9.840 8.273 14.800 1.00 40.14 O ATOM 661 CB PHE A 42 8.753 6.688 17.574 1.00 35.43 C ATOM 662 CG PHE A 42 8.355 8.120 17.789 1.00 24.33 C ATOM 663 CD1 PHE A 42 7.378 8.706 17.003 1.00 74.42 C ATOM 664 CD2 PHE A 42 8.959 8.879 18.779 1.00 4.01 C ATOM 665 CE1 PHE A 42 7.010 10.024 17.198 1.00 4.03 C ATOM 666 CE2 PHE A 42 8.596 10.198 18.979 1.00 61.23 C ATOM 667 CZ PHE A 42 7.619 10.770 18.188 1.00 41.42 C ATOM 0 H PHE A 42 9.859 4.572 16.963 1.00 13.15 H new ATOM 0 HA PHE A 42 8.328 6.390 15.488 1.00 52.32 H new ATOM 0 HB2 PHE A 42 7.911 6.044 17.827 1.00 35.43 H new ATOM 0 HB3 PHE A 42 9.563 6.438 18.259 1.00 35.43 H new ATOM 0 HD1 PHE A 42 6.898 8.127 16.228 1.00 74.42 H new ATOM 0 HD2 PHE A 42 9.722 8.435 19.401 1.00 4.01 H new ATOM 0 HE1 PHE A 42 6.247 10.470 16.577 1.00 4.03 H new ATOM 0 HE2 PHE A 42 9.075 10.780 19.752 1.00 61.23 H new ATOM 0 HZ PHE A 42 7.332 11.799 18.343 1.00 41.42 H new ATOM 677 N LYS A 43 11.372 7.459 16.231 1.00 1.33 N ATOM 678 CA LYS A 43 12.394 8.432 15.863 1.00 71.32 C ATOM 679 C LYS A 43 12.955 8.134 14.477 1.00 63.04 C ATOM 680 O LYS A 43 13.350 9.044 13.748 1.00 55.53 O ATOM 681 CB LYS A 43 13.525 8.429 16.893 1.00 34.33 C ATOM 682 CG LYS A 43 13.918 9.817 17.370 1.00 12.11 C ATOM 683 CD LYS A 43 14.719 9.758 18.660 1.00 30.23 C ATOM 684 CE LYS A 43 16.134 9.255 18.415 1.00 72.12 C ATOM 685 NZ LYS A 43 16.231 7.777 18.569 1.00 64.11 N ATOM 0 H LYS A 43 11.662 6.794 16.948 1.00 1.33 H new ATOM 0 HA LYS A 43 11.930 9.418 15.844 1.00 71.32 H new ATOM 0 HB2 LYS A 43 13.221 7.831 17.752 1.00 34.33 H new ATOM 0 HB3 LYS A 43 14.399 7.942 16.459 1.00 34.33 H new ATOM 0 HG2 LYS A 43 14.505 10.315 16.599 1.00 12.11 H new ATOM 0 HG3 LYS A 43 13.021 10.417 17.525 1.00 12.11 H new ATOM 0 HD2 LYS A 43 14.757 10.749 19.112 1.00 30.23 H new ATOM 0 HD3 LYS A 43 14.217 9.103 19.372 1.00 30.23 H new ATOM 0 HE2 LYS A 43 16.451 9.537 17.411 1.00 72.12 H new ATOM 0 HE3 LYS A 43 16.817 9.739 19.113 1.00 72.12 H new ATOM 0 HZ1 LYS A 43 16.844 7.552 19.379 1.00 64.11 H new ATOM 0 HZ2 LYS A 43 15.283 7.382 18.732 1.00 64.11 H new ATOM 0 HZ3 LYS A 43 16.635 7.364 17.704 1.00 64.11 H new ATOM 699 N SER A 44 12.986 6.855 14.117 1.00 14.12 N ATOM 700 CA SER A 44 13.500 6.437 12.819 1.00 42.23 C ATOM 701 C SER A 44 12.590 6.920 11.693 1.00 4.25 C ATOM 702 O SER A 44 13.051 7.528 10.725 1.00 72.32 O ATOM 703 CB SER A 44 13.633 4.915 12.764 1.00 14.02 C ATOM 704 OG SER A 44 14.791 4.479 13.455 1.00 62.44 O ATOM 0 H SER A 44 12.661 6.090 14.707 1.00 14.12 H new ATOM 0 HA SER A 44 14.485 6.885 12.685 1.00 42.23 H new ATOM 0 HB2 SER A 44 12.748 4.453 13.203 1.00 14.02 H new ATOM 0 HB3 SER A 44 13.681 4.588 11.725 1.00 14.02 H new ATOM 0 HG SER A 44 14.594 4.410 14.413 1.00 62.44 H new ATOM 710 N ILE A 45 11.297 6.647 11.828 1.00 62.43 N ATOM 711 CA ILE A 45 10.323 7.054 10.823 1.00 53.43 C ATOM 712 C ILE A 45 10.198 8.573 10.761 1.00 64.02 C ATOM 713 O ILE A 45 9.992 9.145 9.691 1.00 40.55 O ATOM 714 CB ILE A 45 8.935 6.448 11.108 1.00 45.54 C ATOM 715 CG1 ILE A 45 8.987 4.924 10.995 1.00 24.22 C ATOM 716 CG2 ILE A 45 7.901 7.020 10.149 1.00 42.23 C ATOM 717 CD1 ILE A 45 7.653 4.254 11.236 1.00 64.24 C ATOM 0 H ILE A 45 10.900 6.146 12.623 1.00 62.43 H new ATOM 0 HA ILE A 45 10.684 6.682 9.864 1.00 53.43 H new ATOM 0 HB ILE A 45 8.643 6.708 12.125 1.00 45.54 H new ATOM 0 HG12 ILE A 45 9.346 4.654 10.002 1.00 24.22 H new ATOM 0 HG13 ILE A 45 9.712 4.539 11.712 1.00 24.22 H new ATOM 0 HG21 ILE A 45 6.926 6.583 10.362 1.00 42.23 H new ATOM 0 HG22 ILE A 45 7.849 8.102 10.273 1.00 42.23 H new ATOM 0 HG23 ILE A 45 8.187 6.786 9.124 1.00 42.23 H new ATOM 0 HD11 ILE A 45 7.766 3.174 11.140 1.00 64.24 H new ATOM 0 HD12 ILE A 45 7.301 4.494 12.239 1.00 64.24 H new ATOM 0 HD13 ILE A 45 6.929 4.610 10.503 1.00 64.24 H new ATOM 729 N ASP A 46 10.328 9.219 11.914 1.00 71.14 N ATOM 730 CA ASP A 46 10.234 10.673 11.991 1.00 33.34 C ATOM 731 C ASP A 46 11.554 11.324 11.591 1.00 12.30 C ATOM 732 O ASP A 46 12.590 11.080 12.208 1.00 22.41 O ATOM 733 CB ASP A 46 9.844 11.105 13.406 1.00 44.12 C ATOM 734 CG ASP A 46 9.024 12.380 13.415 1.00 74.32 C ATOM 735 OD1 ASP A 46 9.139 13.167 12.453 1.00 45.35 O ATOM 736 OD2 ASP A 46 8.265 12.589 14.385 1.00 63.04 O ATOM 0 H ASP A 46 10.499 8.759 12.808 1.00 71.14 H new ATOM 0 HA ASP A 46 9.463 11.001 11.294 1.00 33.34 H new ATOM 0 HB2 ASP A 46 9.275 10.307 13.883 1.00 44.12 H new ATOM 0 HB3 ASP A 46 10.746 11.252 14.000 1.00 44.12 H new ATOM 741 N ALA A 47 11.508 12.155 10.554 1.00 33.13 N ATOM 742 CA ALA A 47 12.699 12.842 10.074 1.00 44.05 C ATOM 743 C ALA A 47 13.232 13.816 11.120 1.00 13.21 C ATOM 744 O ALA A 47 14.441 13.925 11.321 1.00 20.33 O ATOM 745 CB ALA A 47 12.398 13.574 8.774 1.00 71.43 C ATOM 0 H ALA A 47 10.658 12.368 10.031 1.00 33.13 H new ATOM 0 HA ALA A 47 13.469 12.093 9.888 1.00 44.05 H new ATOM 0 HB1 ALA A 47 13.297 14.083 8.427 1.00 71.43 H new ATOM 0 HB2 ALA A 47 12.072 12.857 8.020 1.00 71.43 H new ATOM 0 HB3 ALA A 47 11.609 14.306 8.943 1.00 71.43 H new ATOM 751 N ASP A 48 12.321 14.521 11.782 1.00 40.25 N ATOM 752 CA ASP A 48 12.699 15.486 12.808 1.00 31.33 C ATOM 753 C ASP A 48 12.323 14.978 14.196 1.00 50.42 C ATOM 754 O ASP A 48 12.811 15.483 15.206 1.00 12.23 O ATOM 755 CB ASP A 48 12.026 16.833 12.544 1.00 55.42 C ATOM 756 CG ASP A 48 10.516 16.722 12.477 1.00 54.51 C ATOM 757 OD1 ASP A 48 9.994 15.600 12.651 1.00 3.35 O ATOM 758 OD2 ASP A 48 9.854 17.757 12.252 1.00 64.14 O ATOM 0 H ASP A 48 11.316 14.442 11.627 1.00 40.25 H new ATOM 0 HA ASP A 48 13.781 15.616 12.769 1.00 31.33 H new ATOM 0 HB2 ASP A 48 12.301 17.534 13.332 1.00 55.42 H new ATOM 0 HB3 ASP A 48 12.399 17.245 11.606 1.00 55.42 H new ATOM 763 N GLY A 49 11.450 13.975 14.238 1.00 24.04 N ATOM 764 CA GLY A 49 11.023 13.416 15.507 1.00 43.52 C ATOM 765 C GLY A 49 10.386 14.453 16.412 1.00 62.33 C ATOM 766 O GLY A 49 10.513 14.382 17.633 1.00 54.15 O ATOM 0 H GLY A 49 11.031 13.540 13.416 1.00 24.04 H new ATOM 0 HA2 GLY A 49 10.311 12.611 15.325 1.00 43.52 H new ATOM 0 HA3 GLY A 49 11.881 12.974 16.013 1.00 43.52 H new ATOM 770 N ASN A 50 9.701 15.420 15.810 1.00 63.22 N ATOM 771 CA ASN A 50 9.043 16.477 16.570 1.00 43.33 C ATOM 772 C ASN A 50 7.661 16.033 17.037 1.00 75.44 C ATOM 773 O ASN A 50 6.648 16.378 16.429 1.00 20.45 O ATOM 774 CB ASN A 50 8.924 17.745 15.721 1.00 74.33 C ATOM 775 CG ASN A 50 8.146 17.511 14.440 1.00 63.13 C ATOM 776 OD1 ASN A 50 7.934 16.371 14.028 1.00 14.11 O ATOM 777 ND2 ASN A 50 7.719 18.595 13.802 1.00 35.21 N ATOM 0 H ASN A 50 9.587 15.494 14.799 1.00 63.22 H new ATOM 0 HA ASN A 50 9.652 16.691 17.449 1.00 43.33 H new ATOM 0 HB2 ASN A 50 8.433 18.525 16.304 1.00 74.33 H new ATOM 0 HB3 ASN A 50 9.921 18.110 15.476 1.00 74.33 H new ATOM 0 HD21 ASN A 50 7.192 18.501 12.934 1.00 35.21 H new ATOM 0 HD22 ASN A 50 7.918 19.521 14.180 1.00 35.21 H new ATOM 784 N GLY A 51 7.627 15.264 18.121 1.00 1.03 N ATOM 785 CA GLY A 51 6.365 14.784 18.653 1.00 44.43 C ATOM 786 C GLY A 51 5.703 13.768 17.744 1.00 51.43 C ATOM 787 O GLY A 51 5.227 12.731 18.206 1.00 43.03 O ATOM 0 H GLY A 51 8.452 14.965 18.641 1.00 1.03 H new ATOM 0 HA2 GLY A 51 6.534 14.336 19.632 1.00 44.43 H new ATOM 0 HA3 GLY A 51 5.692 15.628 18.801 1.00 44.43 H new ATOM 791 N GLU A 52 5.669 14.066 16.449 1.00 41.32 N ATOM 792 CA GLU A 52 5.056 13.171 15.475 1.00 24.13 C ATOM 793 C GLU A 52 5.702 13.337 14.102 1.00 24.15 C ATOM 794 O GLU A 52 6.409 14.314 13.851 1.00 32.15 O ATOM 795 CB GLU A 52 3.554 13.437 15.378 1.00 74.32 C ATOM 796 CG GLU A 52 3.196 14.914 15.374 1.00 72.04 C ATOM 797 CD GLU A 52 4.050 15.718 14.413 1.00 53.31 C ATOM 798 OE1 GLU A 52 4.104 15.353 13.220 1.00 14.42 O ATOM 799 OE2 GLU A 52 4.663 16.712 14.855 1.00 61.44 O ATOM 0 H GLU A 52 6.059 14.920 16.050 1.00 41.32 H new ATOM 0 HA GLU A 52 5.215 12.147 15.812 1.00 24.13 H new ATOM 0 HB2 GLU A 52 3.170 12.976 14.468 1.00 74.32 H new ATOM 0 HB3 GLU A 52 3.053 12.953 16.216 1.00 74.32 H new ATOM 0 HG2 GLU A 52 2.146 15.029 15.105 1.00 72.04 H new ATOM 0 HG3 GLU A 52 3.313 15.315 16.381 1.00 72.04 H new ATOM 806 N ILE A 53 5.456 12.376 13.218 1.00 11.12 N ATOM 807 CA ILE A 53 6.012 12.416 11.872 1.00 32.30 C ATOM 808 C ILE A 53 5.051 13.091 10.899 1.00 30.12 C ATOM 809 O ILE A 53 3.923 12.637 10.710 1.00 73.12 O ATOM 810 CB ILE A 53 6.338 11.002 11.355 1.00 33.14 C ATOM 811 CG1 ILE A 53 6.966 10.160 12.469 1.00 12.21 C ATOM 812 CG2 ILE A 53 7.268 11.078 10.154 1.00 62.43 C ATOM 813 CD1 ILE A 53 6.057 9.065 12.984 1.00 5.02 C ATOM 0 H ILE A 53 4.875 11.560 13.410 1.00 11.12 H new ATOM 0 HA ILE A 53 6.934 12.995 11.929 1.00 32.30 H new ATOM 0 HB ILE A 53 5.410 10.523 11.042 1.00 33.14 H new ATOM 0 HG12 ILE A 53 7.888 9.712 12.099 1.00 12.21 H new ATOM 0 HG13 ILE A 53 7.240 10.814 13.297 1.00 12.21 H new ATOM 0 HG21 ILE A 53 7.489 10.071 9.801 1.00 62.43 H new ATOM 0 HG22 ILE A 53 6.787 11.645 9.357 1.00 62.43 H new ATOM 0 HG23 ILE A 53 8.195 11.573 10.443 1.00 62.43 H new ATOM 0 HD11 ILE A 53 6.567 8.509 13.771 1.00 5.02 H new ATOM 0 HD12 ILE A 53 5.145 9.508 13.385 1.00 5.02 H new ATOM 0 HD13 ILE A 53 5.804 8.389 12.168 1.00 5.02 H new ATOM 825 N ASP A 54 5.506 14.177 10.284 1.00 4.13 N ATOM 826 CA ASP A 54 4.688 14.914 9.329 1.00 54.25 C ATOM 827 C ASP A 54 4.656 14.204 7.978 1.00 21.25 C ATOM 828 O ASP A 54 5.527 13.388 7.676 1.00 12.44 O ATOM 829 CB ASP A 54 5.222 16.337 9.158 1.00 54.13 C ATOM 830 CG ASP A 54 5.313 17.083 10.474 1.00 15.04 C ATOM 831 OD1 ASP A 54 6.062 16.626 11.364 1.00 74.32 O ATOM 832 OD2 ASP A 54 4.635 18.122 10.617 1.00 43.14 O ATOM 0 H ASP A 54 6.437 14.566 10.430 1.00 4.13 H new ATOM 0 HA ASP A 54 3.671 14.960 9.719 1.00 54.25 H new ATOM 0 HB2 ASP A 54 6.209 16.299 8.696 1.00 54.13 H new ATOM 0 HB3 ASP A 54 4.572 16.886 8.476 1.00 54.13 H new ATOM 837 N GLN A 55 3.649 14.520 7.173 1.00 42.05 N ATOM 838 CA GLN A 55 3.504 13.910 5.856 1.00 70.13 C ATOM 839 C GLN A 55 4.779 14.076 5.036 1.00 14.23 C ATOM 840 O GLN A 55 5.259 13.128 4.418 1.00 62.25 O ATOM 841 CB GLN A 55 2.320 14.530 5.111 1.00 62.23 C ATOM 842 CG GLN A 55 2.371 16.048 5.042 1.00 22.24 C ATOM 843 CD GLN A 55 1.100 16.650 4.477 1.00 74.31 C ATOM 844 OE1 GLN A 55 0.953 16.791 3.263 1.00 64.54 O ATOM 845 NE2 GLN A 55 0.172 17.008 5.357 1.00 64.13 N ATOM 0 H GLN A 55 2.921 15.195 7.408 1.00 42.05 H new ATOM 0 HA GLN A 55 3.319 12.845 5.995 1.00 70.13 H new ATOM 0 HB2 GLN A 55 2.289 14.130 4.098 1.00 62.23 H new ATOM 0 HB3 GLN A 55 1.395 14.228 5.601 1.00 62.23 H new ATOM 0 HG2 GLN A 55 2.545 16.448 6.041 1.00 22.24 H new ATOM 0 HG3 GLN A 55 3.217 16.352 4.426 1.00 22.24 H new ATOM 0 HE21 GLN A 55 0.336 16.873 6.355 1.00 64.13 H new ATOM 0 HE22 GLN A 55 -0.705 17.418 5.035 1.00 64.13 H new ATOM 854 N ASN A 56 5.322 15.289 5.036 1.00 45.40 N ATOM 855 CA ASN A 56 6.542 15.580 4.291 1.00 3.33 C ATOM 856 C ASN A 56 7.687 14.681 4.748 1.00 72.24 C ATOM 857 O ASN A 56 8.360 14.055 3.930 1.00 23.34 O ATOM 858 CB ASN A 56 6.933 17.049 4.464 1.00 15.41 C ATOM 859 CG ASN A 56 7.438 17.670 3.176 1.00 74.43 C ATOM 860 OD1 ASN A 56 8.642 17.826 2.979 1.00 2.23 O ATOM 861 ND2 ASN A 56 6.515 18.027 2.291 1.00 54.42 N ATOM 0 H ASN A 56 4.937 16.086 5.543 1.00 45.40 H new ATOM 0 HA ASN A 56 6.348 15.384 3.236 1.00 3.33 H new ATOM 0 HB2 ASN A 56 6.071 17.612 4.821 1.00 15.41 H new ATOM 0 HB3 ASN A 56 7.705 17.129 5.229 1.00 15.41 H new ATOM 0 HD21 ASN A 56 6.794 18.449 1.405 1.00 54.42 H new ATOM 0 HD22 ASN A 56 5.527 17.879 2.497 1.00 54.42 H new ATOM 868 N GLU A 57 7.898 14.622 6.058 1.00 34.43 N ATOM 869 CA GLU A 57 8.961 13.798 6.623 1.00 12.23 C ATOM 870 C GLU A 57 8.760 12.329 6.264 1.00 23.32 C ATOM 871 O GLU A 57 9.712 11.624 5.928 1.00 4.20 O ATOM 872 CB GLU A 57 9.009 13.961 8.145 1.00 70.13 C ATOM 873 CG GLU A 57 9.203 15.398 8.597 1.00 34.32 C ATOM 874 CD GLU A 57 8.549 15.682 9.936 1.00 30.42 C ATOM 875 OE1 GLU A 57 8.180 14.712 10.632 1.00 0.34 O ATOM 876 OE2 GLU A 57 8.408 16.870 10.288 1.00 2.31 O ATOM 0 H GLU A 57 7.348 15.134 6.748 1.00 34.43 H new ATOM 0 HA GLU A 57 9.908 14.131 6.199 1.00 12.23 H new ATOM 0 HB2 GLU A 57 8.083 13.576 8.573 1.00 70.13 H new ATOM 0 HB3 GLU A 57 9.821 13.351 8.542 1.00 70.13 H new ATOM 0 HG2 GLU A 57 10.269 15.613 8.665 1.00 34.32 H new ATOM 0 HG3 GLU A 57 8.790 16.070 7.845 1.00 34.32 H new ATOM 883 N PHE A 58 7.514 11.872 6.339 1.00 64.24 N ATOM 884 CA PHE A 58 7.188 10.486 6.023 1.00 15.42 C ATOM 885 C PHE A 58 7.508 10.171 4.565 1.00 63.24 C ATOM 886 O PHE A 58 8.086 9.129 4.256 1.00 34.14 O ATOM 887 CB PHE A 58 5.709 10.212 6.303 1.00 30.35 C ATOM 888 CG PHE A 58 5.394 8.755 6.488 1.00 2.13 C ATOM 889 CD1 PHE A 58 5.495 8.165 7.737 1.00 73.40 C ATOM 890 CD2 PHE A 58 4.996 7.977 5.414 1.00 44.54 C ATOM 891 CE1 PHE A 58 5.207 6.824 7.910 1.00 60.50 C ATOM 892 CE2 PHE A 58 4.706 6.636 5.580 1.00 50.35 C ATOM 893 CZ PHE A 58 4.810 6.059 6.830 1.00 60.04 C ATOM 0 H PHE A 58 6.714 12.441 6.616 1.00 64.24 H new ATOM 0 HA PHE A 58 7.797 9.842 6.657 1.00 15.42 H new ATOM 0 HB2 PHE A 58 5.410 10.757 7.198 1.00 30.35 H new ATOM 0 HB3 PHE A 58 5.113 10.603 5.478 1.00 30.35 H new ATOM 0 HD1 PHE A 58 5.802 8.759 8.585 1.00 73.40 H new ATOM 0 HD2 PHE A 58 4.911 8.424 4.434 1.00 44.54 H new ATOM 0 HE1 PHE A 58 5.292 6.375 8.888 1.00 60.50 H new ATOM 0 HE2 PHE A 58 4.398 6.040 4.733 1.00 50.35 H new ATOM 0 HZ PHE A 58 4.582 5.012 6.963 1.00 60.04 H new ATOM 903 N ALA A 59 7.126 11.078 3.672 1.00 2.15 N ATOM 904 CA ALA A 59 7.374 10.899 2.247 1.00 63.44 C ATOM 905 C ALA A 59 8.867 10.791 1.957 1.00 13.34 C ATOM 906 O ALA A 59 9.316 9.857 1.293 1.00 34.14 O ATOM 907 CB ALA A 59 6.763 12.046 1.456 1.00 73.30 C ATOM 0 H ALA A 59 6.643 11.944 3.910 1.00 2.15 H new ATOM 0 HA ALA A 59 6.902 9.966 1.937 1.00 63.44 H new ATOM 0 HB1 ALA A 59 6.956 11.899 0.393 1.00 73.30 H new ATOM 0 HB2 ALA A 59 5.687 12.075 1.629 1.00 73.30 H new ATOM 0 HB3 ALA A 59 7.207 12.988 1.778 1.00 73.30 H new ATOM 913 N LYS A 60 9.633 11.754 2.459 1.00 22.13 N ATOM 914 CA LYS A 60 11.077 11.768 2.256 1.00 31.34 C ATOM 915 C LYS A 60 11.733 10.566 2.929 1.00 10.53 C ATOM 916 O LYS A 60 12.811 10.129 2.526 1.00 34.44 O ATOM 917 CB LYS A 60 11.677 13.064 2.805 1.00 20.21 C ATOM 918 CG LYS A 60 11.882 14.135 1.747 1.00 20.13 C ATOM 919 CD LYS A 60 10.587 14.455 1.020 1.00 63.12 C ATOM 920 CE LYS A 60 10.432 15.950 0.791 1.00 50.42 C ATOM 921 NZ LYS A 60 11.066 16.386 -0.484 1.00 21.30 N ATOM 0 H LYS A 60 9.277 12.535 3.010 1.00 22.13 H new ATOM 0 HA LYS A 60 11.269 11.711 1.185 1.00 31.34 H new ATOM 0 HB2 LYS A 60 11.023 13.456 3.585 1.00 20.21 H new ATOM 0 HB3 LYS A 60 12.635 12.841 3.275 1.00 20.21 H new ATOM 0 HG2 LYS A 60 12.271 15.040 2.214 1.00 20.13 H new ATOM 0 HG3 LYS A 60 12.630 13.800 1.029 1.00 20.13 H new ATOM 0 HD2 LYS A 60 10.568 13.935 0.062 1.00 63.12 H new ATOM 0 HD3 LYS A 60 9.742 14.085 1.600 1.00 63.12 H new ATOM 0 HE2 LYS A 60 9.373 16.207 0.776 1.00 50.42 H new ATOM 0 HE3 LYS A 60 10.880 16.493 1.623 1.00 50.42 H new ATOM 0 HZ1 LYS A 60 10.938 17.411 -0.603 1.00 21.30 H new ATOM 0 HZ2 LYS A 60 12.082 16.164 -0.460 1.00 21.30 H new ATOM 0 HZ3 LYS A 60 10.621 15.887 -1.281 1.00 21.30 H new ATOM 935 N PHE A 61 11.076 10.037 3.955 1.00 15.01 N ATOM 936 CA PHE A 61 11.594 8.885 4.684 1.00 24.13 C ATOM 937 C PHE A 61 11.326 7.592 3.920 1.00 71.52 C ATOM 938 O PHE A 61 12.125 6.657 3.960 1.00 33.11 O ATOM 939 CB PHE A 61 10.965 8.809 6.076 1.00 14.52 C ATOM 940 CG PHE A 61 11.023 7.438 6.686 1.00 72.31 C ATOM 941 CD1 PHE A 61 12.235 6.785 6.840 1.00 22.24 C ATOM 942 CD2 PHE A 61 9.865 6.802 7.106 1.00 64.15 C ATOM 943 CE1 PHE A 61 12.292 5.523 7.402 1.00 30.52 C ATOM 944 CE2 PHE A 61 9.917 5.540 7.667 1.00 15.31 C ATOM 945 CZ PHE A 61 11.131 4.899 7.815 1.00 65.02 C ATOM 0 H PHE A 61 10.183 10.388 4.301 1.00 15.01 H new ATOM 0 HA PHE A 61 12.672 9.008 4.788 1.00 24.13 H new ATOM 0 HB2 PHE A 61 11.474 9.513 6.735 1.00 14.52 H new ATOM 0 HB3 PHE A 61 9.924 9.126 6.013 1.00 14.52 H new ATOM 0 HD1 PHE A 61 13.146 7.267 6.517 1.00 22.24 H new ATOM 0 HD2 PHE A 61 8.912 7.298 6.994 1.00 64.15 H new ATOM 0 HE1 PHE A 61 13.244 5.026 7.518 1.00 30.52 H new ATOM 0 HE2 PHE A 61 9.008 5.055 7.990 1.00 15.31 H new ATOM 0 HZ PHE A 61 11.173 3.912 8.252 1.00 65.02 H new ATOM 955 N TYR A 62 10.195 7.547 3.225 1.00 61.05 N ATOM 956 CA TYR A 62 9.817 6.369 2.454 1.00 63.31 C ATOM 957 C TYR A 62 10.847 6.076 1.367 1.00 20.52 C ATOM 958 O TYR A 62 11.069 6.889 0.470 1.00 21.33 O ATOM 959 CB TYR A 62 8.437 6.565 1.825 1.00 41.22 C ATOM 960 CG TYR A 62 7.998 5.409 0.954 1.00 32.42 C ATOM 961 CD1 TYR A 62 7.686 4.175 1.511 1.00 74.51 C ATOM 962 CD2 TYR A 62 7.896 5.550 -0.424 1.00 55.34 C ATOM 963 CE1 TYR A 62 7.285 3.115 0.720 1.00 41.02 C ATOM 964 CE2 TYR A 62 7.494 4.498 -1.223 1.00 34.53 C ATOM 965 CZ TYR A 62 7.191 3.281 -0.646 1.00 50.23 C ATOM 966 OH TYR A 62 6.790 2.229 -1.438 1.00 13.24 O ATOM 0 H TYR A 62 9.524 8.313 3.180 1.00 61.05 H new ATOM 0 HA TYR A 62 9.781 5.518 3.134 1.00 63.31 H new ATOM 0 HB2 TYR A 62 7.703 6.711 2.618 1.00 41.22 H new ATOM 0 HB3 TYR A 62 8.446 7.476 1.227 1.00 41.22 H new ATOM 0 HD1 TYR A 62 7.758 4.042 2.580 1.00 74.51 H new ATOM 0 HD2 TYR A 62 8.135 6.500 -0.879 1.00 55.34 H new ATOM 0 HE1 TYR A 62 7.047 2.162 1.169 1.00 41.02 H new ATOM 0 HE2 TYR A 62 7.417 4.626 -2.293 1.00 34.53 H new ATOM 0 HH TYR A 62 6.775 2.513 -2.376 1.00 13.24 H new ATOM 976 N GLY A 63 11.474 4.907 1.455 1.00 24.54 N ATOM 977 CA GLY A 63 12.474 4.526 0.474 1.00 74.25 C ATOM 978 C GLY A 63 13.834 5.129 0.766 1.00 54.02 C ATOM 979 O GLY A 63 14.775 4.958 -0.009 1.00 32.20 O ATOM 0 H GLY A 63 11.308 4.217 2.188 1.00 24.54 H new ATOM 0 HA2 GLY A 63 12.559 3.440 0.450 1.00 74.25 H new ATOM 0 HA3 GLY A 63 12.145 4.842 -0.516 1.00 74.25 H new ATOM 983 N SER A 64 13.936 5.838 1.886 1.00 65.33 N ATOM 984 CA SER A 64 15.189 6.474 2.275 1.00 23.21 C ATOM 985 C SER A 64 15.990 5.570 3.207 1.00 31.33 C ATOM 986 O SER A 64 16.810 6.043 3.994 1.00 32.24 O ATOM 987 CB SER A 64 14.915 7.815 2.958 1.00 52.02 C ATOM 988 OG SER A 64 16.123 8.458 3.326 1.00 62.54 O ATOM 0 H SER A 64 13.167 5.986 2.539 1.00 65.33 H new ATOM 0 HA SER A 64 15.775 6.648 1.373 1.00 23.21 H new ATOM 0 HB2 SER A 64 14.347 8.459 2.287 1.00 52.02 H new ATOM 0 HB3 SER A 64 14.300 7.656 3.844 1.00 52.02 H new ATOM 0 HG SER A 64 16.681 7.837 3.840 1.00 62.54 H new ATOM 994 N ILE A 65 15.745 4.267 3.113 1.00 42.05 N ATOM 995 CA ILE A 65 16.443 3.297 3.946 1.00 2.44 C ATOM 996 C ILE A 65 17.688 2.766 3.246 1.00 22.45 C ATOM 997 O ILE A 65 18.242 1.738 3.638 1.00 72.24 O ATOM 998 CB ILE A 65 15.531 2.112 4.316 1.00 43.11 C ATOM 999 CG1 ILE A 65 14.116 2.607 4.623 1.00 63.55 C ATOM 1000 CG2 ILE A 65 16.103 1.355 5.504 1.00 34.04 C ATOM 1001 CD1 ILE A 65 13.178 2.527 3.439 1.00 44.13 C ATOM 0 H ILE A 65 15.068 3.859 2.468 1.00 42.05 H new ATOM 0 HA ILE A 65 16.736 3.818 4.858 1.00 2.44 H new ATOM 0 HB ILE A 65 15.481 1.431 3.467 1.00 43.11 H new ATOM 0 HG12 ILE A 65 13.704 2.019 5.443 1.00 63.55 H new ATOM 0 HG13 ILE A 65 14.168 3.640 4.966 1.00 63.55 H new ATOM 0 HG21 ILE A 65 15.448 0.521 5.754 1.00 34.04 H new ATOM 0 HG22 ILE A 65 17.093 0.976 5.251 1.00 34.04 H new ATOM 0 HG23 ILE A 65 16.179 2.025 6.360 1.00 34.04 H new ATOM 0 HD11 ILE A 65 12.194 2.894 3.729 1.00 44.13 H new ATOM 0 HD12 ILE A 65 13.567 3.138 2.624 1.00 44.13 H new ATOM 0 HD13 ILE A 65 13.096 1.491 3.109 1.00 44.13 H new ATOM 1013 N GLN A 66 18.126 3.473 2.209 1.00 13.41 N ATOM 1014 CA GLN A 66 19.307 3.073 1.454 1.00 12.21 C ATOM 1015 C GLN A 66 20.548 3.083 2.341 1.00 44.22 C ATOM 1016 O GLN A 66 20.692 3.984 3.165 1.00 12.24 O ATOM 1017 CB GLN A 66 19.513 4.003 0.258 1.00 64.14 C ATOM 1018 CG GLN A 66 18.374 3.960 -0.748 1.00 65.15 C ATOM 1019 CD GLN A 66 18.580 4.921 -1.903 1.00 42.21 C ATOM 1020 OE1 GLN A 66 18.446 4.546 -3.068 1.00 45.03 O ATOM 1021 NE2 GLN A 66 18.909 6.168 -1.585 1.00 51.02 N ATOM 0 H GLN A 66 17.680 4.326 1.873 1.00 13.41 H new ATOM 0 HA GLN A 66 19.149 2.057 1.092 1.00 12.21 H new ATOM 0 HB2 GLN A 66 19.630 5.025 0.619 1.00 64.14 H new ATOM 0 HB3 GLN A 66 20.442 3.734 -0.245 1.00 64.14 H new ATOM 0 HG2 GLN A 66 18.275 2.946 -1.137 1.00 65.15 H new ATOM 0 HG3 GLN A 66 17.439 4.200 -0.243 1.00 65.15 H new ATOM 0 HE21 GLN A 66 19.009 6.435 -0.606 1.00 51.02 H new ATOM 0 HE22 GLN A 66 19.061 6.859 -2.320 1.00 51.02 H new TER 1030 GLN A 66 HETATM 1031 CA CA A 101 -2.775 12.053 12.786 1.00 0.24 CA HETATM 1032 CA CA A 102 7.330 15.625 13.061 1.00 71.44 CA