USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 529 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 63 THR OG1 : rot 84:sc= 0.754 USER MOD Set 1.2: A 66 MET CE :methyl 177:sc= -0.037 (180deg=0) USER MOD Set 2.1: A 23 ASN : amide:sc= 0.604 K(o=-4.5,f=-5.2) USER MOD Set 2.2: A 47 HIS : no HE2:sc= -5.13 K(o=-4.5,f=-5.1) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 150:sc= 0.083 (180deg=-0.0649) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 150:sc= -0.639 USER MOD Single : A 35 SER OG : rot -140:sc= 1.32 USER MOD Single : A 38 SER OG : rot 140:sc= -1.82 USER MOD Single : A 39 THR OG1 : rot 69:sc= 0.656 USER MOD Single : A 44 MET CE :methyl 136:sc= -15.2! (180deg=-24.3!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.00303 USER MOD Single : A 52 TYR OH : rot -143:sc= -0.189 USER MOD Single : A 53 ASN : amide:sc= 0.557 K(o=0.56,f=-4.7!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN :FLIP amide:sc= -0.469 F(o=-1.3,f=-0.47) USER MOD Single : A 57 HIS : no HE2:sc= -3.8! C(o=-3.8!,f=-3.3!) USER MOD Single : A 61 TYR OH : rot -15:sc= -0.592 USER MOD Single : A 65 ASN : amide:sc= 0.395 X(o=0.4,f=0) USER MOD Single : A 69 HIS :FLIP no HD1:sc= -4.76! C(o=-8.1!,f=-4.8!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= -0.101 (180deg=-0.101) USER MOD ----------------------------------------------------------------- ATOM 24 N PHE A 10 9.925 3.842 -9.838 1.00 0.00 N ATOM 25 CA PHE A 10 11.085 3.551 -8.939 1.00 0.00 C ATOM 26 C PHE A 10 10.596 2.855 -7.662 1.00 0.00 C ATOM 27 O PHE A 10 9.480 3.052 -7.224 1.00 0.00 O ATOM 28 CB PHE A 10 11.701 4.934 -8.639 1.00 0.00 C ATOM 29 CG PHE A 10 12.041 5.079 -7.165 1.00 0.00 C ATOM 30 CD1 PHE A 10 11.057 5.498 -6.259 1.00 0.00 C ATOM 31 CD2 PHE A 10 13.338 4.806 -6.707 1.00 0.00 C ATOM 32 CE1 PHE A 10 11.365 5.640 -4.902 1.00 0.00 C ATOM 33 CE2 PHE A 10 13.648 4.951 -5.350 1.00 0.00 C ATOM 34 CZ PHE A 10 12.663 5.368 -4.446 1.00 0.00 C ATOM 0 HA PHE A 10 11.817 2.880 -9.388 1.00 0.00 H new ATOM 0 HB2 PHE A 10 12.602 5.071 -9.237 1.00 0.00 H new ATOM 0 HB3 PHE A 10 11.002 5.717 -8.932 1.00 0.00 H new ATOM 0 HD1 PHE A 10 10.058 5.712 -6.610 1.00 0.00 H new ATOM 0 HD2 PHE A 10 14.099 4.483 -7.402 1.00 0.00 H new ATOM 0 HE1 PHE A 10 10.604 5.959 -4.206 1.00 0.00 H new ATOM 0 HE2 PHE A 10 14.648 4.741 -5.000 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.903 5.480 -3.399 1.00 0.00 H new ATOM 44 N VAL A 11 11.436 2.061 -7.053 1.00 0.00 N ATOM 45 CA VAL A 11 11.042 1.370 -5.790 1.00 0.00 C ATOM 46 C VAL A 11 11.908 1.903 -4.647 1.00 0.00 C ATOM 47 O VAL A 11 13.122 1.835 -4.704 1.00 0.00 O ATOM 48 CB VAL A 11 11.286 -0.131 -6.036 1.00 0.00 C ATOM 49 CG1 VAL A 11 12.779 -0.411 -6.254 1.00 0.00 C ATOM 50 CG2 VAL A 11 10.798 -0.931 -4.823 1.00 0.00 C ATOM 0 H VAL A 11 12.382 1.860 -7.377 1.00 0.00 H new ATOM 0 HA VAL A 11 10.001 1.542 -5.517 1.00 0.00 H new ATOM 0 HB VAL A 11 10.738 -0.429 -6.930 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.928 -1.477 -6.426 1.00 0.00 H new ATOM 0 HG12 VAL A 11 13.132 0.149 -7.120 1.00 0.00 H new ATOM 0 HG13 VAL A 11 13.339 -0.104 -5.371 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.970 -1.994 -4.995 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.344 -0.614 -3.935 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.732 -0.755 -4.676 1.00 0.00 H new ATOM 60 N ASP A 12 11.299 2.464 -3.627 1.00 0.00 N ATOM 61 CA ASP A 12 12.096 3.026 -2.496 1.00 0.00 C ATOM 62 C ASP A 12 13.142 2.023 -2.010 1.00 0.00 C ATOM 63 O ASP A 12 12.836 1.088 -1.295 1.00 0.00 O ATOM 64 CB ASP A 12 11.087 3.340 -1.385 1.00 0.00 C ATOM 65 CG ASP A 12 11.771 4.167 -0.288 1.00 0.00 C ATOM 66 OD1 ASP A 12 12.392 5.165 -0.618 1.00 0.00 O ATOM 67 OD2 ASP A 12 11.661 3.792 0.867 1.00 0.00 O ATOM 0 H ASP A 12 10.288 2.555 -3.532 1.00 0.00 H new ATOM 0 HA ASP A 12 12.643 3.918 -2.803 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.240 3.890 -1.794 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.693 2.414 -0.965 1.00 0.00 H new ATOM 72 N ASP A 13 14.383 2.230 -2.384 1.00 0.00 N ATOM 73 CA ASP A 13 15.466 1.318 -1.941 1.00 0.00 C ATOM 74 C ASP A 13 15.593 1.408 -0.423 1.00 0.00 C ATOM 75 O ASP A 13 16.049 0.490 0.231 1.00 0.00 O ATOM 76 CB ASP A 13 16.734 1.833 -2.630 1.00 0.00 C ATOM 77 CG ASP A 13 17.796 0.731 -2.636 1.00 0.00 C ATOM 78 OD1 ASP A 13 17.801 -0.055 -3.569 1.00 0.00 O ATOM 79 OD2 ASP A 13 18.587 0.692 -1.707 1.00 0.00 O ATOM 0 H ASP A 13 14.686 2.999 -2.981 1.00 0.00 H new ATOM 0 HA ASP A 13 15.279 0.275 -2.196 1.00 0.00 H new ATOM 0 HB2 ASP A 13 16.507 2.139 -3.651 1.00 0.00 H new ATOM 0 HB3 ASP A 13 17.111 2.713 -2.110 1.00 0.00 H new ATOM 84 N HIS A 14 15.167 2.516 0.136 1.00 0.00 N ATOM 85 CA HIS A 14 15.226 2.693 1.607 1.00 0.00 C ATOM 86 C HIS A 14 14.252 1.720 2.282 1.00 0.00 C ATOM 87 O HIS A 14 14.519 1.202 3.349 1.00 0.00 O ATOM 88 CB HIS A 14 14.803 4.147 1.841 1.00 0.00 C ATOM 89 CG HIS A 14 15.685 4.765 2.892 1.00 0.00 C ATOM 90 ND1 HIS A 14 15.212 5.095 4.152 1.00 0.00 N ATOM 91 CD2 HIS A 14 17.013 5.113 2.886 1.00 0.00 C ATOM 92 CE1 HIS A 14 16.240 5.617 4.847 1.00 0.00 C ATOM 93 NE2 HIS A 14 17.361 5.650 4.122 1.00 0.00 N ATOM 0 H HIS A 14 14.779 3.308 -0.376 1.00 0.00 H new ATOM 0 HA HIS A 14 16.214 2.491 2.021 1.00 0.00 H new ATOM 0 HB2 HIS A 14 14.876 4.712 0.912 1.00 0.00 H new ATOM 0 HB3 HIS A 14 13.761 4.187 2.157 1.00 0.00 H new ATOM 0 HD2 HIS A 14 17.685 4.989 2.050 1.00 0.00 H new ATOM 0 HE1 HIS A 14 16.167 5.966 5.866 1.00 0.00 H new ATOM 0 HE2 HIS A 14 18.276 5.995 4.412 1.00 0.00 H new ATOM 101 N LEU A 15 13.143 1.445 1.645 1.00 0.00 N ATOM 102 CA LEU A 15 12.163 0.482 2.216 1.00 0.00 C ATOM 103 C LEU A 15 12.693 -0.936 1.973 1.00 0.00 C ATOM 104 O LEU A 15 12.570 -1.809 2.808 1.00 0.00 O ATOM 105 CB LEU A 15 10.842 0.775 1.471 1.00 0.00 C ATOM 106 CG LEU A 15 10.385 -0.422 0.629 1.00 0.00 C ATOM 107 CD1 LEU A 15 9.734 -1.462 1.538 1.00 0.00 C ATOM 108 CD2 LEU A 15 9.366 0.053 -0.410 1.00 0.00 C ATOM 0 H LEU A 15 12.875 1.851 0.748 1.00 0.00 H new ATOM 0 HA LEU A 15 12.007 0.574 3.291 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.066 1.029 2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.973 1.644 0.826 1.00 0.00 H new ATOM 0 HG LEU A 15 11.244 -0.865 0.125 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.408 -2.314 0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.455 -1.796 2.284 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.873 -1.019 2.039 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.038 -0.795 -1.012 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.507 0.492 0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.827 0.800 -1.056 1.00 0.00 H new ATOM 120 N LEU A 16 13.316 -1.152 0.838 1.00 0.00 N ATOM 121 CA LEU A 16 13.895 -2.488 0.531 1.00 0.00 C ATOM 122 C LEU A 16 14.980 -2.820 1.552 1.00 0.00 C ATOM 123 O LEU A 16 15.067 -3.925 2.044 1.00 0.00 O ATOM 124 CB LEU A 16 14.501 -2.366 -0.865 1.00 0.00 C ATOM 125 CG LEU A 16 13.447 -2.759 -1.890 1.00 0.00 C ATOM 126 CD1 LEU A 16 12.537 -1.566 -2.151 1.00 0.00 C ATOM 127 CD2 LEU A 16 14.124 -3.189 -3.193 1.00 0.00 C ATOM 0 H LEU A 16 13.446 -0.451 0.109 1.00 0.00 H new ATOM 0 HA LEU A 16 13.147 -3.280 0.572 1.00 0.00 H new ATOM 0 HB2 LEU A 16 14.839 -1.345 -1.043 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.375 -3.011 -0.955 1.00 0.00 H new ATOM 0 HG LEU A 16 12.858 -3.592 -1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 16 11.779 -1.840 -2.885 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.051 -1.269 -1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 16 13.128 -0.734 -2.534 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.364 -3.469 -3.923 1.00 0.00 H new ATOM 0 HD22 LEU A 16 14.716 -2.362 -3.585 1.00 0.00 H new ATOM 0 HD23 LEU A 16 14.774 -4.042 -3.001 1.00 0.00 H new ATOM 139 N GLU A 17 15.797 -1.850 1.889 1.00 0.00 N ATOM 140 CA GLU A 17 16.874 -2.088 2.901 1.00 0.00 C ATOM 141 C GLU A 17 16.260 -2.633 4.206 1.00 0.00 C ATOM 142 O GLU A 17 16.926 -3.286 4.987 1.00 0.00 O ATOM 143 CB GLU A 17 17.541 -0.714 3.113 1.00 0.00 C ATOM 144 CG GLU A 17 17.145 -0.122 4.471 1.00 0.00 C ATOM 145 CD GLU A 17 17.696 1.301 4.596 1.00 0.00 C ATOM 146 OE1 GLU A 17 18.899 1.441 4.745 1.00 0.00 O ATOM 147 OE2 GLU A 17 16.903 2.229 4.545 1.00 0.00 O ATOM 0 H GLU A 17 15.764 -0.905 1.507 1.00 0.00 H new ATOM 0 HA GLU A 17 17.603 -2.829 2.573 1.00 0.00 H new ATOM 0 HB2 GLU A 17 18.625 -0.818 3.058 1.00 0.00 H new ATOM 0 HB3 GLU A 17 17.245 -0.034 2.314 1.00 0.00 H new ATOM 0 HG2 GLU A 17 16.060 -0.112 4.571 1.00 0.00 H new ATOM 0 HG3 GLU A 17 17.534 -0.745 5.277 1.00 0.00 H new ATOM 154 N LYS A 18 14.991 -2.376 4.435 1.00 0.00 N ATOM 155 CA LYS A 18 14.324 -2.878 5.674 1.00 0.00 C ATOM 156 C LYS A 18 13.534 -4.162 5.377 1.00 0.00 C ATOM 157 O LYS A 18 13.427 -5.032 6.220 1.00 0.00 O ATOM 158 CB LYS A 18 13.378 -1.753 6.098 1.00 0.00 C ATOM 159 CG LYS A 18 14.169 -0.654 6.814 1.00 0.00 C ATOM 160 CD LYS A 18 13.221 0.473 7.235 1.00 0.00 C ATOM 161 CE LYS A 18 12.844 1.317 6.011 1.00 0.00 C ATOM 162 NZ LYS A 18 13.896 2.370 5.920 1.00 0.00 N ATOM 0 H LYS A 18 14.389 -1.837 3.812 1.00 0.00 H new ATOM 0 HA LYS A 18 15.043 -3.125 6.455 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.874 -1.341 5.224 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.604 -2.145 6.757 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.672 -1.066 7.689 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.945 -0.263 6.156 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.323 0.055 7.691 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.698 1.100 7.988 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.817 0.709 5.107 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.854 1.759 6.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.030 2.642 4.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.602 3.203 6.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.790 2.001 6.302 1.00 0.00 H new ATOM 176 N VAL A 19 12.978 -4.289 4.191 1.00 0.00 N ATOM 177 CA VAL A 19 12.196 -5.523 3.856 1.00 0.00 C ATOM 178 C VAL A 19 13.131 -6.730 3.727 1.00 0.00 C ATOM 179 O VAL A 19 12.827 -7.806 4.202 1.00 0.00 O ATOM 180 CB VAL A 19 11.489 -5.222 2.531 1.00 0.00 C ATOM 181 CG1 VAL A 19 12.417 -5.505 1.350 1.00 0.00 C ATOM 182 CG2 VAL A 19 10.244 -6.105 2.427 1.00 0.00 C ATOM 0 H VAL A 19 13.032 -3.595 3.446 1.00 0.00 H new ATOM 0 HA VAL A 19 11.476 -5.772 4.635 1.00 0.00 H new ATOM 0 HB VAL A 19 11.209 -4.169 2.504 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.897 -5.285 0.418 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.305 -4.878 1.427 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.712 -6.554 1.362 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.731 -5.901 1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 19 10.538 -7.154 2.459 1.00 0.00 H new ATOM 0 HG23 VAL A 19 9.575 -5.890 3.260 1.00 0.00 H new ATOM 192 N LEU A 20 14.283 -6.548 3.122 1.00 0.00 N ATOM 193 CA LEU A 20 15.256 -7.684 3.009 1.00 0.00 C ATOM 194 C LEU A 20 15.653 -8.050 4.421 1.00 0.00 C ATOM 195 O LEU A 20 15.820 -9.203 4.769 1.00 0.00 O ATOM 196 CB LEU A 20 16.477 -7.152 2.248 1.00 0.00 C ATOM 197 CG LEU A 20 16.030 -6.453 0.973 1.00 0.00 C ATOM 198 CD1 LEU A 20 17.136 -5.511 0.494 1.00 0.00 C ATOM 199 CD2 LEU A 20 15.735 -7.496 -0.108 1.00 0.00 C ATOM 0 H LEU A 20 14.590 -5.669 2.705 1.00 0.00 H new ATOM 0 HA LEU A 20 14.844 -8.551 2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.034 -6.458 2.877 1.00 0.00 H new ATOM 0 HB3 LEU A 20 17.151 -7.973 2.005 1.00 0.00 H new ATOM 0 HG LEU A 20 15.126 -5.877 1.172 1.00 0.00 H new ATOM 0 HD11 LEU A 20 16.817 -5.010 -0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 20 17.339 -4.767 1.264 1.00 0.00 H new ATOM 0 HD13 LEU A 20 18.042 -6.084 0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 20 15.415 -6.993 -1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 20 16.636 -8.076 -0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 20 14.944 -8.163 0.236 1.00 0.00 H new ATOM 211 N GLU A 21 15.769 -7.040 5.239 1.00 0.00 N ATOM 212 CA GLU A 21 16.116 -7.255 6.667 1.00 0.00 C ATOM 213 C GLU A 21 15.048 -8.133 7.330 1.00 0.00 C ATOM 214 O GLU A 21 15.349 -8.937 8.192 1.00 0.00 O ATOM 215 CB GLU A 21 16.123 -5.861 7.295 1.00 0.00 C ATOM 216 CG GLU A 21 17.423 -5.652 8.077 1.00 0.00 C ATOM 217 CD GLU A 21 18.203 -4.482 7.471 1.00 0.00 C ATOM 218 OE1 GLU A 21 17.957 -3.357 7.878 1.00 0.00 O ATOM 219 OE2 GLU A 21 19.031 -4.729 6.610 1.00 0.00 O ATOM 0 H GLU A 21 15.636 -6.064 4.973 1.00 0.00 H new ATOM 0 HA GLU A 21 17.076 -7.757 6.790 1.00 0.00 H new ATOM 0 HB2 GLU A 21 16.029 -5.102 6.519 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.266 -5.747 7.959 1.00 0.00 H new ATOM 0 HG2 GLU A 21 17.201 -5.450 9.125 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.027 -6.559 8.048 1.00 0.00 H new ATOM 226 N LEU A 22 13.801 -8.000 6.921 1.00 0.00 N ATOM 227 CA LEU A 22 12.728 -8.851 7.523 1.00 0.00 C ATOM 228 C LEU A 22 12.775 -10.248 6.898 1.00 0.00 C ATOM 229 O LEU A 22 12.403 -11.226 7.518 1.00 0.00 O ATOM 230 CB LEU A 22 11.405 -8.150 7.188 1.00 0.00 C ATOM 231 CG LEU A 22 10.911 -7.341 8.397 1.00 0.00 C ATOM 232 CD1 LEU A 22 10.736 -8.265 9.608 1.00 0.00 C ATOM 233 CD2 LEU A 22 11.924 -6.243 8.736 1.00 0.00 C ATOM 0 H LEU A 22 13.488 -7.345 6.204 1.00 0.00 H new ATOM 0 HA LEU A 22 12.848 -8.970 8.600 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.542 -7.490 6.331 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.655 -8.889 6.905 1.00 0.00 H new ATOM 0 HG LEU A 22 9.952 -6.886 8.150 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.386 -7.684 10.461 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.006 -9.040 9.372 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.691 -8.729 9.853 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.569 -5.672 9.594 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.886 -6.697 8.975 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.039 -5.578 7.880 1.00 0.00 H new ATOM 245 N ASN A 23 13.258 -10.348 5.684 1.00 0.00 N ATOM 246 CA ASN A 23 13.363 -11.682 5.019 1.00 0.00 C ATOM 247 C ASN A 23 14.632 -12.403 5.499 1.00 0.00 C ATOM 248 O ASN A 23 14.798 -13.589 5.284 1.00 0.00 O ATOM 249 CB ASN A 23 13.454 -11.383 3.519 1.00 0.00 C ATOM 250 CG ASN A 23 12.065 -11.042 2.975 1.00 0.00 C ATOM 251 OD1 ASN A 23 11.194 -11.887 2.927 1.00 0.00 O ATOM 252 ND2 ASN A 23 11.820 -9.830 2.557 1.00 0.00 N ATOM 0 H ASN A 23 13.585 -9.560 5.124 1.00 0.00 H new ATOM 0 HA ASN A 23 12.514 -12.326 5.250 1.00 0.00 H new ATOM 0 HB2 ASN A 23 14.137 -10.552 3.345 1.00 0.00 H new ATOM 0 HB3 ASN A 23 13.860 -12.245 2.991 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.898 -9.594 2.191 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.551 -9.119 2.597 1.00 0.00 H new ATOM 259 N ALA A 24 15.524 -11.693 6.156 1.00 0.00 N ATOM 260 CA ALA A 24 16.770 -12.318 6.658 1.00 0.00 C ATOM 261 C ALA A 24 16.504 -12.987 8.005 1.00 0.00 C ATOM 262 O ALA A 24 17.053 -14.029 8.309 1.00 0.00 O ATOM 263 CB ALA A 24 17.756 -11.163 6.825 1.00 0.00 C ATOM 0 H ALA A 24 15.431 -10.698 6.362 1.00 0.00 H new ATOM 0 HA ALA A 24 17.153 -13.084 5.983 1.00 0.00 H new ATOM 0 HB1 ALA A 24 18.707 -11.547 7.195 1.00 0.00 H new ATOM 0 HB2 ALA A 24 17.911 -10.675 5.863 1.00 0.00 H new ATOM 0 HB3 ALA A 24 17.354 -10.442 7.537 1.00 0.00 H new ATOM 269 N LYS A 25 15.651 -12.397 8.808 1.00 0.00 N ATOM 270 CA LYS A 25 15.330 -12.999 10.133 1.00 0.00 C ATOM 271 C LYS A 25 14.141 -13.955 9.995 1.00 0.00 C ATOM 272 O LYS A 25 13.868 -14.750 10.876 1.00 0.00 O ATOM 273 CB LYS A 25 14.964 -11.817 11.042 1.00 0.00 C ATOM 274 CG LYS A 25 16.049 -10.730 10.978 1.00 0.00 C ATOM 275 CD LYS A 25 17.434 -11.354 11.182 1.00 0.00 C ATOM 276 CE LYS A 25 18.484 -10.520 10.440 1.00 0.00 C ATOM 277 NZ LYS A 25 19.529 -11.495 10.016 1.00 0.00 N ATOM 0 H LYS A 25 15.165 -11.525 8.600 1.00 0.00 H new ATOM 0 HA LYS A 25 16.164 -13.573 10.537 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.005 -11.399 10.736 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.848 -12.163 12.069 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.009 -10.222 10.014 1.00 0.00 H new ATOM 0 HG3 LYS A 25 15.865 -9.976 11.744 1.00 0.00 H new ATOM 0 HD2 LYS A 25 17.673 -11.397 12.245 1.00 0.00 H new ATOM 0 HD3 LYS A 25 17.441 -12.379 10.812 1.00 0.00 H new ATOM 0 HE2 LYS A 25 18.048 -10.012 9.580 1.00 0.00 H new ATOM 0 HE3 LYS A 25 18.904 -9.749 11.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 20.282 -10.995 9.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 19.932 -11.958 10.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 19.103 -12.213 9.395 1.00 0.00 H new ATOM 291 N GLY A 26 13.427 -13.871 8.899 1.00 0.00 N ATOM 292 CA GLY A 26 12.245 -14.757 8.694 1.00 0.00 C ATOM 293 C GLY A 26 11.021 -14.119 9.351 1.00 0.00 C ATOM 294 O GLY A 26 10.094 -14.803 9.743 1.00 0.00 O ATOM 0 H GLY A 26 13.616 -13.222 8.135 1.00 0.00 H new ATOM 0 HA2 GLY A 26 12.066 -14.904 7.629 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.433 -15.740 9.125 1.00 0.00 H new ATOM 298 N GLU A 27 11.013 -12.812 9.480 1.00 0.00 N ATOM 299 CA GLU A 27 9.852 -12.128 10.118 1.00 0.00 C ATOM 300 C GLU A 27 9.073 -11.312 9.080 1.00 0.00 C ATOM 301 O GLU A 27 9.643 -10.741 8.169 1.00 0.00 O ATOM 302 CB GLU A 27 10.463 -11.205 11.177 1.00 0.00 C ATOM 303 CG GLU A 27 10.995 -12.042 12.344 1.00 0.00 C ATOM 304 CD GLU A 27 11.667 -11.125 13.368 1.00 0.00 C ATOM 305 OE1 GLU A 27 12.782 -10.699 13.113 1.00 0.00 O ATOM 306 OE2 GLU A 27 11.057 -10.864 14.392 1.00 0.00 O ATOM 0 H GLU A 27 11.762 -12.193 9.170 1.00 0.00 H new ATOM 0 HA GLU A 27 9.149 -12.838 10.553 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.271 -10.618 10.740 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.713 -10.499 11.535 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.179 -12.591 12.813 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.708 -12.781 11.979 1.00 0.00 H new ATOM 313 N LYS A 28 7.772 -11.253 9.217 1.00 0.00 N ATOM 314 CA LYS A 28 6.943 -10.475 8.251 1.00 0.00 C ATOM 315 C LYS A 28 6.355 -9.244 8.952 1.00 0.00 C ATOM 316 O LYS A 28 5.305 -9.311 9.566 1.00 0.00 O ATOM 317 CB LYS A 28 5.837 -11.440 7.818 1.00 0.00 C ATOM 318 CG LYS A 28 6.364 -12.362 6.714 1.00 0.00 C ATOM 319 CD LYS A 28 5.239 -13.281 6.232 1.00 0.00 C ATOM 320 CE LYS A 28 5.230 -14.568 7.067 1.00 0.00 C ATOM 321 NZ LYS A 28 3.992 -14.491 7.895 1.00 0.00 N ATOM 0 H LYS A 28 7.247 -11.713 9.961 1.00 0.00 H new ATOM 0 HA LYS A 28 7.515 -10.112 7.397 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.502 -12.031 8.670 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.973 -10.881 7.458 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.745 -11.769 5.882 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.197 -12.956 7.089 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.279 -12.773 6.319 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.378 -13.521 5.178 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.222 -15.451 6.428 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.119 -14.636 7.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.920 -15.340 8.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.030 -13.645 8.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.161 -14.435 7.272 1.00 0.00 H new ATOM 335 N ARG A 29 7.032 -8.125 8.872 1.00 0.00 N ATOM 336 CA ARG A 29 6.523 -6.888 9.540 1.00 0.00 C ATOM 337 C ARG A 29 6.193 -5.814 8.498 1.00 0.00 C ATOM 338 O ARG A 29 5.948 -6.110 7.343 1.00 0.00 O ATOM 339 CB ARG A 29 7.671 -6.429 10.446 1.00 0.00 C ATOM 340 CG ARG A 29 7.112 -5.973 11.798 1.00 0.00 C ATOM 341 CD ARG A 29 7.376 -7.052 12.853 1.00 0.00 C ATOM 342 NE ARG A 29 8.655 -6.652 13.508 1.00 0.00 N ATOM 343 CZ ARG A 29 9.800 -6.965 12.958 1.00 0.00 C ATOM 344 NH1 ARG A 29 10.502 -6.046 12.346 1.00 0.00 N ATOM 345 NH2 ARG A 29 10.243 -8.194 13.022 1.00 0.00 N ATOM 0 H ARG A 29 7.915 -8.015 8.373 1.00 0.00 H new ATOM 0 HA ARG A 29 5.607 -7.069 10.102 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.380 -7.244 10.591 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.216 -5.612 9.973 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.579 -5.035 12.098 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.042 -5.785 11.716 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.562 -7.103 13.576 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.459 -8.038 12.396 1.00 0.00 H new ATOM 0 HE ARG A 29 8.637 -6.134 14.386 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.156 -5.088 12.298 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.395 -6.288 11.917 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.696 -8.909 13.501 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.136 -8.437 12.593 1.00 0.00 H new ATOM 359 N LEU A 30 6.182 -4.569 8.903 1.00 0.00 N ATOM 360 CA LEU A 30 5.865 -3.467 7.950 1.00 0.00 C ATOM 361 C LEU A 30 7.107 -2.587 7.716 1.00 0.00 C ATOM 362 O LEU A 30 7.988 -2.503 8.553 1.00 0.00 O ATOM 363 CB LEU A 30 4.716 -2.689 8.624 1.00 0.00 C ATOM 364 CG LEU A 30 5.244 -1.478 9.406 1.00 0.00 C ATOM 365 CD1 LEU A 30 4.777 -0.187 8.729 1.00 0.00 C ATOM 366 CD2 LEU A 30 4.705 -1.524 10.838 1.00 0.00 C ATOM 0 H LEU A 30 6.380 -4.269 9.858 1.00 0.00 H new ATOM 0 HA LEU A 30 5.572 -3.826 6.963 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.007 -2.354 7.866 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.173 -3.351 9.298 1.00 0.00 H new ATOM 0 HG LEU A 30 6.334 -1.505 9.424 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.153 0.672 9.285 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.158 -0.153 7.708 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.688 -0.159 8.711 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.079 -0.665 11.395 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.616 -1.497 10.818 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.036 -2.443 11.322 1.00 0.00 H new ATOM 378 N ILE A 31 7.178 -1.939 6.581 1.00 0.00 N ATOM 379 CA ILE A 31 8.352 -1.059 6.271 1.00 0.00 C ATOM 380 C ILE A 31 7.863 0.303 5.764 1.00 0.00 C ATOM 381 O ILE A 31 7.151 0.390 4.784 1.00 0.00 O ATOM 382 CB ILE A 31 9.139 -1.798 5.178 1.00 0.00 C ATOM 383 CG1 ILE A 31 9.676 -3.117 5.745 1.00 0.00 C ATOM 384 CG2 ILE A 31 10.311 -0.929 4.708 1.00 0.00 C ATOM 385 CD1 ILE A 31 9.127 -4.286 4.928 1.00 0.00 C ATOM 0 H ILE A 31 6.469 -1.980 5.849 1.00 0.00 H new ATOM 0 HA ILE A 31 8.971 -0.870 7.148 1.00 0.00 H new ATOM 0 HB ILE A 31 8.482 -2.002 4.333 1.00 0.00 H new ATOM 0 HG12 ILE A 31 10.766 -3.120 5.717 1.00 0.00 H new ATOM 0 HG13 ILE A 31 9.384 -3.221 6.790 1.00 0.00 H new ATOM 0 HG21 ILE A 31 10.867 -1.456 3.933 1.00 0.00 H new ATOM 0 HG22 ILE A 31 9.930 0.010 4.306 1.00 0.00 H new ATOM 0 HG23 ILE A 31 10.971 -0.722 5.550 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.509 -5.223 5.332 1.00 0.00 H new ATOM 0 HD12 ILE A 31 8.038 -4.286 4.979 1.00 0.00 H new ATOM 0 HD13 ILE A 31 9.441 -4.183 3.889 1.00 0.00 H new ATOM 397 N LYS A 32 8.239 1.366 6.427 1.00 0.00 N ATOM 398 CA LYS A 32 7.789 2.725 5.989 1.00 0.00 C ATOM 399 C LYS A 32 8.662 3.244 4.837 1.00 0.00 C ATOM 400 O LYS A 32 9.767 2.778 4.620 1.00 0.00 O ATOM 401 CB LYS A 32 7.941 3.617 7.225 1.00 0.00 C ATOM 402 CG LYS A 32 6.827 3.300 8.227 1.00 0.00 C ATOM 403 CD LYS A 32 7.355 2.341 9.298 1.00 0.00 C ATOM 404 CE LYS A 32 6.572 2.540 10.601 1.00 0.00 C ATOM 405 NZ LYS A 32 7.360 3.534 11.385 1.00 0.00 N ATOM 0 H LYS A 32 8.838 1.354 7.253 1.00 0.00 H new ATOM 0 HA LYS A 32 6.764 2.712 5.619 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.915 3.455 7.686 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.896 4.667 6.936 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.470 4.219 8.692 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.977 2.853 7.711 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.257 1.310 8.957 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.416 2.520 9.469 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.564 2.905 10.403 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.469 1.601 11.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.883 3.719 12.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.312 3.157 11.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.435 4.420 10.846 1.00 0.00 H new ATOM 419 N THR A 33 8.162 4.203 4.096 1.00 0.00 N ATOM 420 CA THR A 33 8.940 4.765 2.946 1.00 0.00 C ATOM 421 C THR A 33 8.816 6.296 2.920 1.00 0.00 C ATOM 422 O THR A 33 7.892 6.856 3.478 1.00 0.00 O ATOM 423 CB THR A 33 8.288 4.141 1.706 1.00 0.00 C ATOM 424 OG1 THR A 33 8.628 2.763 1.636 1.00 0.00 O ATOM 425 CG2 THR A 33 8.777 4.850 0.442 1.00 0.00 C ATOM 0 H THR A 33 7.244 4.623 4.239 1.00 0.00 H new ATOM 0 HA THR A 33 10.005 4.542 3.006 1.00 0.00 H new ATOM 0 HB THR A 33 7.206 4.250 1.780 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.903 2.269 1.199 1.00 0.00 H new ATOM 0 HG21 THR A 33 8.308 4.399 -0.433 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.512 5.906 0.492 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.860 4.751 0.365 1.00 0.00 H new ATOM 433 N TRP A 34 9.743 6.978 2.282 1.00 0.00 N ATOM 434 CA TRP A 34 9.680 8.478 2.221 1.00 0.00 C ATOM 435 C TRP A 34 10.224 8.989 0.876 1.00 0.00 C ATOM 436 O TRP A 34 10.875 10.015 0.815 1.00 0.00 O ATOM 437 CB TRP A 34 10.577 8.973 3.362 1.00 0.00 C ATOM 438 CG TRP A 34 10.112 8.414 4.667 1.00 0.00 C ATOM 439 CD1 TRP A 34 9.198 8.989 5.478 1.00 0.00 C ATOM 440 CD2 TRP A 34 10.525 7.183 5.320 1.00 0.00 C ATOM 441 NE1 TRP A 34 9.026 8.187 6.593 1.00 0.00 N ATOM 442 CE2 TRP A 34 9.825 7.063 6.542 1.00 0.00 C ATOM 443 CE3 TRP A 34 11.432 6.171 4.970 1.00 0.00 C ATOM 444 CZ2 TRP A 34 10.023 5.973 7.391 1.00 0.00 C ATOM 445 CZ3 TRP A 34 11.633 5.072 5.819 1.00 0.00 C ATOM 446 CH2 TRP A 34 10.930 4.975 7.029 1.00 0.00 C ATOM 0 H TRP A 34 10.540 6.561 1.801 1.00 0.00 H new ATOM 0 HA TRP A 34 8.655 8.837 2.315 1.00 0.00 H new ATOM 0 HB2 TRP A 34 11.609 8.675 3.178 1.00 0.00 H new ATOM 0 HB3 TRP A 34 10.562 10.062 3.399 1.00 0.00 H new ATOM 0 HD1 TRP A 34 8.686 9.921 5.288 1.00 0.00 H new ATOM 0 HE1 TRP A 34 8.387 8.401 7.359 1.00 0.00 H new ATOM 0 HE3 TRP A 34 11.979 6.238 4.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 9.479 5.902 8.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 12.332 4.298 5.540 1.00 0.00 H new ATOM 0 HH2 TRP A 34 11.090 4.129 7.680 1.00 0.00 H new ATOM 457 N SER A 35 9.966 8.285 -0.198 1.00 0.00 N ATOM 458 CA SER A 35 10.478 8.734 -1.532 1.00 0.00 C ATOM 459 C SER A 35 9.369 9.440 -2.330 1.00 0.00 C ATOM 460 O SER A 35 8.437 9.971 -1.765 1.00 0.00 O ATOM 461 CB SER A 35 10.929 7.451 -2.228 1.00 0.00 C ATOM 462 OG SER A 35 12.334 7.502 -2.432 1.00 0.00 O ATOM 0 H SER A 35 9.424 7.421 -0.210 1.00 0.00 H new ATOM 0 HA SER A 35 11.291 9.455 -1.443 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.668 6.583 -1.622 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.414 7.340 -3.182 1.00 0.00 H new ATOM 0 HG SER A 35 12.550 7.138 -3.316 1.00 0.00 H new ATOM 468 N ARG A 36 9.468 9.455 -3.637 1.00 0.00 N ATOM 469 CA ARG A 36 8.418 10.132 -4.463 1.00 0.00 C ATOM 470 C ARG A 36 7.591 9.088 -5.226 1.00 0.00 C ATOM 471 O ARG A 36 6.387 9.013 -5.073 1.00 0.00 O ATOM 472 CB ARG A 36 9.190 11.029 -5.437 1.00 0.00 C ATOM 473 CG ARG A 36 9.149 12.478 -4.944 1.00 0.00 C ATOM 474 CD ARG A 36 7.846 13.139 -5.401 1.00 0.00 C ATOM 475 NE ARG A 36 7.567 14.189 -4.380 1.00 0.00 N ATOM 476 CZ ARG A 36 6.657 13.986 -3.464 1.00 0.00 C ATOM 477 NH1 ARG A 36 5.417 14.341 -3.686 1.00 0.00 N ATOM 478 NH2 ARG A 36 6.987 13.431 -2.327 1.00 0.00 N ATOM 0 H ARG A 36 10.228 9.029 -4.167 1.00 0.00 H new ATOM 0 HA ARG A 36 7.720 10.706 -3.854 1.00 0.00 H new ATOM 0 HB2 ARG A 36 10.223 10.691 -5.518 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.754 10.961 -6.434 1.00 0.00 H new ATOM 0 HG2 ARG A 36 9.220 12.505 -3.857 1.00 0.00 H new ATOM 0 HG3 ARG A 36 10.005 13.030 -5.333 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.951 13.573 -6.395 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.033 12.414 -5.454 1.00 0.00 H new ATOM 0 HE ARG A 36 8.087 15.067 -4.396 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.162 14.775 -4.573 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.706 14.183 -2.972 1.00 0.00 H new ATOM 0 HH21 ARG A 36 7.954 13.157 -2.155 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.277 13.272 -1.612 1.00 0.00 H new ATOM 492 N ARG A 37 8.232 8.279 -6.038 1.00 0.00 N ATOM 493 CA ARG A 37 7.486 7.231 -6.807 1.00 0.00 C ATOM 494 C ARG A 37 7.619 5.872 -6.104 1.00 0.00 C ATOM 495 O ARG A 37 7.695 4.840 -6.740 1.00 0.00 O ATOM 496 CB ARG A 37 8.155 7.195 -8.185 1.00 0.00 C ATOM 497 CG ARG A 37 7.948 8.538 -8.888 1.00 0.00 C ATOM 498 CD ARG A 37 9.285 9.282 -8.981 1.00 0.00 C ATOM 499 NE ARG A 37 8.936 10.728 -8.872 1.00 0.00 N ATOM 500 CZ ARG A 37 9.751 11.633 -9.344 1.00 0.00 C ATOM 501 NH1 ARG A 37 9.619 12.051 -10.576 1.00 0.00 N ATOM 502 NH2 ARG A 37 10.696 12.122 -8.584 1.00 0.00 N ATOM 0 H ARG A 37 9.239 8.299 -6.201 1.00 0.00 H new ATOM 0 HA ARG A 37 6.421 7.449 -6.882 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.220 6.988 -8.079 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.732 6.389 -8.785 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.539 8.378 -9.886 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.223 9.139 -8.339 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.961 8.979 -8.181 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.790 9.069 -9.923 1.00 0.00 H new ATOM 0 HE ARG A 37 8.061 11.010 -8.429 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.880 11.670 -11.167 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.255 12.758 -10.946 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.797 11.797 -7.623 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.332 12.829 -8.953 1.00 0.00 H new ATOM 516 N SER A 38 7.650 5.884 -4.792 1.00 0.00 N ATOM 517 CA SER A 38 7.787 4.625 -3.991 1.00 0.00 C ATOM 518 C SER A 38 6.915 3.489 -4.556 1.00 0.00 C ATOM 519 O SER A 38 5.729 3.652 -4.779 1.00 0.00 O ATOM 520 CB SER A 38 7.322 5.027 -2.591 1.00 0.00 C ATOM 521 OG SER A 38 8.279 5.911 -2.025 1.00 0.00 O ATOM 0 H SER A 38 7.585 6.733 -4.231 1.00 0.00 H new ATOM 0 HA SER A 38 8.806 4.238 -4.006 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.346 5.510 -2.642 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.208 4.143 -1.963 1.00 0.00 H new ATOM 0 HG SER A 38 7.817 6.625 -1.538 1.00 0.00 H new ATOM 527 N THR A 39 7.510 2.340 -4.790 1.00 0.00 N ATOM 528 CA THR A 39 6.745 1.176 -5.344 1.00 0.00 C ATOM 529 C THR A 39 7.138 -0.118 -4.612 1.00 0.00 C ATOM 530 O THR A 39 8.148 -0.176 -3.936 1.00 0.00 O ATOM 531 CB THR A 39 7.152 1.107 -6.824 1.00 0.00 C ATOM 532 OG1 THR A 39 6.622 2.232 -7.511 1.00 0.00 O ATOM 533 CG2 THR A 39 6.612 -0.179 -7.462 1.00 0.00 C ATOM 0 H THR A 39 8.499 2.159 -4.619 1.00 0.00 H new ATOM 0 HA THR A 39 5.668 1.291 -5.221 1.00 0.00 H new ATOM 0 HB THR A 39 8.240 1.109 -6.894 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.080 3.044 -7.211 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.907 -0.216 -8.511 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.020 -1.044 -6.939 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.524 -0.192 -7.390 1.00 0.00 H new ATOM 541 N ILE A 40 6.339 -1.150 -4.739 1.00 0.00 N ATOM 542 CA ILE A 40 6.657 -2.448 -4.049 1.00 0.00 C ATOM 543 C ILE A 40 7.608 -3.312 -4.899 1.00 0.00 C ATOM 544 O ILE A 40 7.853 -3.032 -6.058 1.00 0.00 O ATOM 545 CB ILE A 40 5.301 -3.149 -3.894 1.00 0.00 C ATOM 546 CG1 ILE A 40 4.383 -2.302 -3.006 1.00 0.00 C ATOM 547 CG2 ILE A 40 5.485 -4.527 -3.258 1.00 0.00 C ATOM 548 CD1 ILE A 40 3.555 -1.361 -3.878 1.00 0.00 C ATOM 0 H ILE A 40 5.480 -1.153 -5.289 1.00 0.00 H new ATOM 0 HA ILE A 40 7.158 -2.286 -3.095 1.00 0.00 H new ATOM 0 HB ILE A 40 4.854 -3.268 -4.881 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.726 -2.948 -2.424 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.977 -1.728 -2.295 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.515 -5.012 -3.154 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.130 -5.137 -3.891 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.942 -4.416 -2.275 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.902 -0.759 -3.246 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.221 -0.706 -4.440 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.950 -1.945 -4.571 1.00 0.00 H new ATOM 560 N VAL A 41 8.127 -4.374 -4.323 1.00 0.00 N ATOM 561 CA VAL A 41 9.048 -5.293 -5.075 1.00 0.00 C ATOM 562 C VAL A 41 8.695 -6.748 -4.763 1.00 0.00 C ATOM 563 O VAL A 41 7.822 -7.020 -3.958 1.00 0.00 O ATOM 564 CB VAL A 41 10.490 -4.987 -4.615 1.00 0.00 C ATOM 565 CG1 VAL A 41 11.277 -4.381 -5.780 1.00 0.00 C ATOM 566 CG2 VAL A 41 10.509 -3.999 -3.445 1.00 0.00 C ATOM 0 H VAL A 41 7.951 -4.646 -3.356 1.00 0.00 H new ATOM 0 HA VAL A 41 8.951 -5.141 -6.150 1.00 0.00 H new ATOM 0 HB VAL A 41 10.942 -5.923 -4.288 1.00 0.00 H new ATOM 0 HG11 VAL A 41 12.295 -4.164 -5.457 1.00 0.00 H new ATOM 0 HG12 VAL A 41 11.302 -5.088 -6.609 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.795 -3.459 -6.104 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.540 -3.807 -3.148 1.00 0.00 H new ATOM 0 HG22 VAL A 41 10.039 -3.064 -3.751 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.961 -4.422 -2.603 1.00 0.00 H new ATOM 576 N PRO A 42 9.385 -7.640 -5.424 1.00 0.00 N ATOM 577 CA PRO A 42 9.142 -9.093 -5.236 1.00 0.00 C ATOM 578 C PRO A 42 9.534 -9.546 -3.825 1.00 0.00 C ATOM 579 O PRO A 42 8.967 -10.477 -3.287 1.00 0.00 O ATOM 580 CB PRO A 42 10.037 -9.731 -6.287 1.00 0.00 C ATOM 581 CG PRO A 42 11.106 -8.730 -6.550 1.00 0.00 C ATOM 582 CD PRO A 42 10.457 -7.390 -6.401 1.00 0.00 C ATOM 0 HA PRO A 42 8.092 -9.367 -5.343 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.457 -10.671 -5.928 1.00 0.00 H new ATOM 0 HB3 PRO A 42 9.478 -9.958 -7.195 1.00 0.00 H new ATOM 0 HG2 PRO A 42 11.931 -8.845 -5.847 1.00 0.00 H new ATOM 0 HG3 PRO A 42 11.520 -8.854 -7.550 1.00 0.00 H new ATOM 0 HD2 PRO A 42 11.161 -6.640 -6.042 1.00 0.00 H new ATOM 0 HD3 PRO A 42 10.060 -7.027 -7.349 1.00 0.00 H new ATOM 590 N GLU A 43 10.493 -8.894 -3.226 1.00 0.00 N ATOM 591 CA GLU A 43 10.918 -9.281 -1.842 1.00 0.00 C ATOM 592 C GLU A 43 9.926 -8.757 -0.781 1.00 0.00 C ATOM 593 O GLU A 43 10.184 -8.839 0.404 1.00 0.00 O ATOM 594 CB GLU A 43 12.301 -8.643 -1.650 1.00 0.00 C ATOM 595 CG GLU A 43 12.193 -7.115 -1.730 1.00 0.00 C ATOM 596 CD GLU A 43 13.254 -6.576 -2.692 1.00 0.00 C ATOM 597 OE1 GLU A 43 13.091 -6.757 -3.888 1.00 0.00 O ATOM 598 OE2 GLU A 43 14.211 -5.991 -2.216 1.00 0.00 O ATOM 0 H GLU A 43 11.003 -8.109 -3.632 1.00 0.00 H new ATOM 0 HA GLU A 43 10.945 -10.364 -1.723 1.00 0.00 H new ATOM 0 HB2 GLU A 43 12.714 -8.936 -0.685 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.987 -9.007 -2.414 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.198 -6.828 -2.071 1.00 0.00 H new ATOM 0 HG3 GLU A 43 12.329 -6.678 -0.741 1.00 0.00 H new ATOM 605 N MET A 44 8.802 -8.211 -1.194 1.00 0.00 N ATOM 606 CA MET A 44 7.809 -7.674 -0.209 1.00 0.00 C ATOM 607 C MET A 44 6.537 -8.544 -0.157 1.00 0.00 C ATOM 608 O MET A 44 5.502 -8.100 0.290 1.00 0.00 O ATOM 609 CB MET A 44 7.474 -6.274 -0.727 1.00 0.00 C ATOM 610 CG MET A 44 8.769 -5.550 -1.097 1.00 0.00 C ATOM 611 SD MET A 44 8.631 -3.790 -0.715 1.00 0.00 S ATOM 612 CE MET A 44 10.394 -3.500 -0.428 1.00 0.00 C ATOM 0 H MET A 44 8.532 -8.115 -2.173 1.00 0.00 H new ATOM 0 HA MET A 44 8.210 -7.666 0.804 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.820 -6.342 -1.597 1.00 0.00 H new ATOM 0 HB3 MET A 44 6.934 -5.711 0.034 1.00 0.00 H new ATOM 0 HG2 MET A 44 9.606 -5.984 -0.550 1.00 0.00 H new ATOM 0 HG3 MET A 44 8.979 -5.684 -2.158 1.00 0.00 H new ATOM 0 HE1 MET A 44 10.695 -2.574 -0.917 1.00 0.00 H new ATOM 0 HE2 MET A 44 10.580 -3.422 0.643 1.00 0.00 H new ATOM 0 HE3 MET A 44 10.970 -4.330 -0.837 1.00 0.00 H new ATOM 622 N VAL A 45 6.605 -9.773 -0.619 1.00 0.00 N ATOM 623 CA VAL A 45 5.399 -10.676 -0.624 1.00 0.00 C ATOM 624 C VAL A 45 4.916 -11.064 0.797 1.00 0.00 C ATOM 625 O VAL A 45 4.021 -11.876 0.945 1.00 0.00 O ATOM 626 CB VAL A 45 5.884 -11.915 -1.391 1.00 0.00 C ATOM 627 CG1 VAL A 45 4.784 -12.978 -1.447 1.00 0.00 C ATOM 628 CG2 VAL A 45 6.276 -11.507 -2.813 1.00 0.00 C ATOM 0 H VAL A 45 7.453 -10.196 -0.997 1.00 0.00 H new ATOM 0 HA VAL A 45 4.536 -10.185 -1.075 1.00 0.00 H new ATOM 0 HB VAL A 45 6.747 -12.335 -0.874 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.146 -13.848 -1.994 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.512 -13.274 -0.434 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.909 -12.570 -1.953 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.621 -12.384 -3.361 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.411 -11.079 -3.320 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.075 -10.767 -2.772 1.00 0.00 H new ATOM 638 N GLY A 46 5.465 -10.490 1.831 1.00 0.00 N ATOM 639 CA GLY A 46 5.008 -10.823 3.212 1.00 0.00 C ATOM 640 C GLY A 46 5.227 -9.614 4.123 1.00 0.00 C ATOM 641 O GLY A 46 5.521 -9.762 5.293 1.00 0.00 O ATOM 0 H GLY A 46 6.215 -9.800 1.780 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.953 -11.099 3.202 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.559 -11.683 3.592 1.00 0.00 H new ATOM 645 N HIS A 47 5.112 -8.417 3.595 1.00 0.00 N ATOM 646 CA HIS A 47 5.348 -7.208 4.441 1.00 0.00 C ATOM 647 C HIS A 47 4.321 -6.115 4.144 1.00 0.00 C ATOM 648 O HIS A 47 3.883 -5.944 3.024 1.00 0.00 O ATOM 649 CB HIS A 47 6.756 -6.714 4.073 1.00 0.00 C ATOM 650 CG HIS A 47 7.731 -7.864 4.066 1.00 0.00 C ATOM 651 ND1 HIS A 47 8.496 -8.197 5.172 1.00 0.00 N ATOM 652 CD2 HIS A 47 8.064 -8.771 3.091 1.00 0.00 C ATOM 653 CE1 HIS A 47 9.247 -9.264 4.837 1.00 0.00 C ATOM 654 NE2 HIS A 47 9.022 -9.652 3.579 1.00 0.00 N ATOM 0 H HIS A 47 4.867 -8.228 2.623 1.00 0.00 H new ATOM 0 HA HIS A 47 5.256 -7.449 5.500 1.00 0.00 H new ATOM 0 HB2 HIS A 47 6.737 -6.239 3.092 1.00 0.00 H new ATOM 0 HB3 HIS A 47 7.081 -5.957 4.787 1.00 0.00 H new ATOM 0 HD1 HIS A 47 8.491 -7.722 6.074 1.00 0.00 H new ATOM 0 HD2 HIS A 47 7.645 -8.796 2.096 1.00 0.00 H new ATOM 0 HE1 HIS A 47 9.946 -9.747 5.504 1.00 0.00 H new ATOM 662 N THR A 48 3.973 -5.353 5.149 1.00 0.00 N ATOM 663 CA THR A 48 3.008 -4.234 4.969 1.00 0.00 C ATOM 664 C THR A 48 3.834 -2.955 4.854 1.00 0.00 C ATOM 665 O THR A 48 4.054 -2.247 5.819 1.00 0.00 O ATOM 666 CB THR A 48 2.133 -4.217 6.240 1.00 0.00 C ATOM 667 OG1 THR A 48 2.291 -5.432 6.966 1.00 0.00 O ATOM 668 CG2 THR A 48 0.663 -4.053 5.853 1.00 0.00 C ATOM 0 H THR A 48 4.324 -5.463 6.100 1.00 0.00 H new ATOM 0 HA THR A 48 2.376 -4.332 4.086 1.00 0.00 H new ATOM 0 HB THR A 48 2.446 -3.381 6.866 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.732 -5.407 7.770 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.049 -4.042 6.753 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.532 -3.116 5.312 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.359 -4.885 5.217 1.00 0.00 H new ATOM 676 N ILE A 49 4.341 -2.685 3.689 1.00 0.00 N ATOM 677 CA ILE A 49 5.208 -1.488 3.515 1.00 0.00 C ATOM 678 C ILE A 49 4.381 -0.223 3.338 1.00 0.00 C ATOM 679 O ILE A 49 3.648 -0.080 2.379 1.00 0.00 O ATOM 680 CB ILE A 49 6.041 -1.798 2.271 1.00 0.00 C ATOM 681 CG1 ILE A 49 7.009 -2.938 2.610 1.00 0.00 C ATOM 682 CG2 ILE A 49 6.830 -0.555 1.847 1.00 0.00 C ATOM 683 CD1 ILE A 49 6.740 -4.132 1.700 1.00 0.00 C ATOM 0 H ILE A 49 4.194 -3.241 2.847 1.00 0.00 H new ATOM 0 HA ILE A 49 5.832 -1.299 4.388 1.00 0.00 H new ATOM 0 HB ILE A 49 5.389 -2.092 1.449 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.039 -2.601 2.489 1.00 0.00 H new ATOM 0 HG13 ILE A 49 6.890 -3.230 3.653 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.421 -0.784 0.960 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.138 0.256 1.622 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.494 -0.252 2.657 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.430 -4.939 1.945 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.715 -4.475 1.843 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.882 -3.836 0.660 1.00 0.00 H new ATOM 695 N ALA A 50 4.514 0.706 4.254 1.00 0.00 N ATOM 696 CA ALA A 50 3.756 1.978 4.135 1.00 0.00 C ATOM 697 C ALA A 50 4.430 2.856 3.085 1.00 0.00 C ATOM 698 O ALA A 50 5.164 3.779 3.388 1.00 0.00 O ATOM 699 CB ALA A 50 3.786 2.619 5.517 1.00 0.00 C ATOM 0 H ALA A 50 5.115 0.633 5.075 1.00 0.00 H new ATOM 0 HA ALA A 50 2.724 1.829 3.818 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.242 3.563 5.492 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.318 1.949 6.239 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.819 2.804 5.810 1.00 0.00 H new ATOM 705 N VAL A 51 4.187 2.537 1.842 1.00 0.00 N ATOM 706 CA VAL A 51 4.803 3.301 0.717 1.00 0.00 C ATOM 707 C VAL A 51 4.381 4.771 0.764 1.00 0.00 C ATOM 708 O VAL A 51 3.210 5.089 0.873 1.00 0.00 O ATOM 709 CB VAL A 51 4.279 2.640 -0.568 1.00 0.00 C ATOM 710 CG1 VAL A 51 4.693 1.166 -0.605 1.00 0.00 C ATOM 711 CG2 VAL A 51 2.747 2.746 -0.620 1.00 0.00 C ATOM 0 H VAL A 51 3.580 1.770 1.554 1.00 0.00 H new ATOM 0 HA VAL A 51 5.891 3.281 0.772 1.00 0.00 H new ATOM 0 HB VAL A 51 4.706 3.153 -1.430 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.318 0.705 -1.519 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.780 1.093 -0.582 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.276 0.649 0.259 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.381 2.276 -1.533 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.318 2.241 0.246 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.454 3.796 -0.610 1.00 0.00 H new ATOM 721 N TYR A 52 5.324 5.667 0.661 1.00 0.00 N ATOM 722 CA TYR A 52 4.977 7.111 0.672 1.00 0.00 C ATOM 723 C TYR A 52 4.444 7.493 -0.711 1.00 0.00 C ATOM 724 O TYR A 52 5.198 7.627 -1.659 1.00 0.00 O ATOM 725 CB TYR A 52 6.287 7.846 0.989 1.00 0.00 C ATOM 726 CG TYR A 52 5.994 9.287 1.335 1.00 0.00 C ATOM 727 CD1 TYR A 52 5.290 9.603 2.503 1.00 0.00 C ATOM 728 CD2 TYR A 52 6.433 10.307 0.490 1.00 0.00 C ATOM 729 CE1 TYR A 52 5.027 10.940 2.822 1.00 0.00 C ATOM 730 CE2 TYR A 52 6.174 11.643 0.807 1.00 0.00 C ATOM 731 CZ TYR A 52 5.470 11.961 1.974 1.00 0.00 C ATOM 732 OH TYR A 52 5.214 13.280 2.289 1.00 0.00 O ATOM 0 H TYR A 52 6.318 5.459 0.570 1.00 0.00 H new ATOM 0 HA TYR A 52 4.210 7.364 1.404 1.00 0.00 H new ATOM 0 HB2 TYR A 52 6.796 7.359 1.821 1.00 0.00 H new ATOM 0 HB3 TYR A 52 6.959 7.797 0.132 1.00 0.00 H new ATOM 0 HD1 TYR A 52 4.950 8.815 3.158 1.00 0.00 H new ATOM 0 HD2 TYR A 52 6.975 10.063 -0.412 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.482 11.184 3.722 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.517 12.430 0.152 1.00 0.00 H new ATOM 0 HH TYR A 52 5.024 13.781 1.469 1.00 0.00 H new ATOM 742 N ASN A 53 3.146 7.655 -0.841 1.00 0.00 N ATOM 743 CA ASN A 53 2.565 8.015 -2.175 1.00 0.00 C ATOM 744 C ASN A 53 2.839 9.488 -2.526 1.00 0.00 C ATOM 745 O ASN A 53 2.320 10.008 -3.496 1.00 0.00 O ATOM 746 CB ASN A 53 1.057 7.741 -2.050 1.00 0.00 C ATOM 747 CG ASN A 53 0.366 8.883 -1.296 1.00 0.00 C ATOM 748 OD1 ASN A 53 0.513 9.012 -0.097 1.00 0.00 O ATOM 749 ND2 ASN A 53 -0.391 9.720 -1.953 1.00 0.00 N ATOM 0 H ASN A 53 2.468 7.554 -0.085 1.00 0.00 H new ATOM 0 HA ASN A 53 3.014 7.432 -2.979 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.617 7.633 -3.042 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.894 6.800 -1.525 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -0.858 10.481 -1.459 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.515 9.613 -2.960 1.00 0.00 H new ATOM 756 N GLY A 54 3.642 10.162 -1.739 1.00 0.00 N ATOM 757 CA GLY A 54 3.946 11.596 -2.005 1.00 0.00 C ATOM 758 C GLY A 54 3.562 12.406 -0.770 1.00 0.00 C ATOM 759 O GLY A 54 4.117 13.457 -0.504 1.00 0.00 O ATOM 0 H GLY A 54 4.103 9.773 -0.916 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.005 11.724 -2.229 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.392 11.946 -2.876 1.00 0.00 H new ATOM 763 N LYS A 55 2.609 11.917 -0.015 1.00 0.00 N ATOM 764 CA LYS A 55 2.164 12.636 1.216 1.00 0.00 C ATOM 765 C LYS A 55 1.872 11.658 2.366 1.00 0.00 C ATOM 766 O LYS A 55 1.903 12.038 3.522 1.00 0.00 O ATOM 767 CB LYS A 55 0.874 13.373 0.829 1.00 0.00 C ATOM 768 CG LYS A 55 0.072 12.567 -0.202 1.00 0.00 C ATOM 769 CD LYS A 55 -1.420 12.866 -0.040 1.00 0.00 C ATOM 770 CE LYS A 55 -2.049 11.839 0.907 1.00 0.00 C ATOM 771 NZ LYS A 55 -3.503 12.171 0.933 1.00 0.00 N ATOM 0 H LYS A 55 2.117 11.043 -0.202 1.00 0.00 H new ATOM 0 HA LYS A 55 2.943 13.314 1.565 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.266 13.542 1.718 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.119 14.353 0.420 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.397 12.822 -1.211 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.256 11.501 -0.068 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.559 13.873 0.354 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.916 12.833 -1.010 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.883 10.822 0.551 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.612 11.903 1.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.999 11.508 1.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.631 13.142 1.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.894 12.095 -0.028 1.00 0.00 H new ATOM 785 N GLN A 56 1.547 10.422 2.067 1.00 0.00 N ATOM 786 CA GLN A 56 1.205 9.455 3.154 1.00 0.00 C ATOM 787 C GLN A 56 1.906 8.104 2.977 1.00 0.00 C ATOM 788 O GLN A 56 2.228 7.690 1.881 1.00 0.00 O ATOM 789 CB GLN A 56 -0.322 9.332 3.038 1.00 0.00 C ATOM 790 CG GLN A 56 -0.753 7.931 2.584 1.00 0.00 C ATOM 791 CD GLN A 56 -1.544 7.247 3.702 1.00 0.00 C ATOM 792 OE1 GLN A 56 -0.931 6.893 4.799 1.00 0.00 O flip ATOM 793 NE2 GLN A 56 -2.733 7.031 3.576 1.00 0.00 N flip ATOM 0 H GLN A 56 1.504 10.044 1.121 1.00 0.00 H new ATOM 0 HA GLN A 56 1.534 9.792 4.137 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.778 9.557 4.002 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.693 10.073 2.329 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.364 8.002 1.684 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.123 7.335 2.328 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.214 7.307 2.720 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -3.251 6.574 4.327 1.00 0.00 H new ATOM 802 N HIS A 57 2.107 7.409 4.069 1.00 0.00 N ATOM 803 CA HIS A 57 2.744 6.063 4.023 1.00 0.00 C ATOM 804 C HIS A 57 1.639 5.000 4.082 1.00 0.00 C ATOM 805 O HIS A 57 1.109 4.716 5.139 1.00 0.00 O ATOM 806 CB HIS A 57 3.623 5.970 5.282 1.00 0.00 C ATOM 807 CG HIS A 57 4.372 7.258 5.513 1.00 0.00 C ATOM 808 ND1 HIS A 57 5.613 7.503 4.952 1.00 0.00 N ATOM 809 CD2 HIS A 57 4.065 8.376 6.249 1.00 0.00 C ATOM 810 CE1 HIS A 57 6.004 8.726 5.356 1.00 0.00 C ATOM 811 NE2 HIS A 57 5.097 9.301 6.149 1.00 0.00 N ATOM 0 H HIS A 57 1.851 7.726 5.004 1.00 0.00 H new ATOM 0 HA HIS A 57 3.332 5.910 3.118 1.00 0.00 H new ATOM 0 HB2 HIS A 57 3.001 5.746 6.149 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.330 5.147 5.176 1.00 0.00 H new ATOM 0 HD1 HIS A 57 6.136 6.873 4.344 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.158 8.515 6.819 1.00 0.00 H new ATOM 0 HE1 HIS A 57 6.939 9.187 5.073 1.00 0.00 H new ATOM 819 N VAL A 58 1.274 4.426 2.964 1.00 0.00 N ATOM 820 CA VAL A 58 0.187 3.392 2.970 1.00 0.00 C ATOM 821 C VAL A 58 0.791 2.000 3.213 1.00 0.00 C ATOM 822 O VAL A 58 1.387 1.433 2.318 1.00 0.00 O ATOM 823 CB VAL A 58 -0.454 3.468 1.576 1.00 0.00 C ATOM 824 CG1 VAL A 58 -1.623 2.483 1.492 1.00 0.00 C ATOM 825 CG2 VAL A 58 -0.973 4.887 1.320 1.00 0.00 C ATOM 0 H VAL A 58 1.678 4.625 2.049 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.546 3.567 3.758 1.00 0.00 H new ATOM 0 HB VAL A 58 0.295 3.213 0.826 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.076 2.539 0.502 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.259 1.471 1.668 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.368 2.737 2.246 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.427 4.935 0.330 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.718 5.143 2.073 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.144 5.593 1.374 1.00 0.00 H new ATOM 835 N PRO A 59 0.624 1.495 4.424 1.00 0.00 N ATOM 836 CA PRO A 59 1.176 0.159 4.787 1.00 0.00 C ATOM 837 C PRO A 59 0.455 -0.921 3.994 1.00 0.00 C ATOM 838 O PRO A 59 -0.553 -1.463 4.409 1.00 0.00 O ATOM 839 CB PRO A 59 0.899 0.045 6.287 1.00 0.00 C ATOM 840 CG PRO A 59 -0.252 0.964 6.526 1.00 0.00 C ATOM 841 CD PRO A 59 -0.094 2.101 5.551 1.00 0.00 C ATOM 0 HA PRO A 59 2.237 0.043 4.564 1.00 0.00 H new ATOM 0 HB2 PRO A 59 0.654 -0.979 6.569 1.00 0.00 H new ATOM 0 HB3 PRO A 59 1.769 0.338 6.875 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -1.200 0.448 6.372 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.251 1.329 7.553 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -1.060 2.501 5.242 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.468 2.927 5.987 1.00 0.00 H new ATOM 849 N VAL A 60 0.968 -1.206 2.837 1.00 0.00 N ATOM 850 CA VAL A 60 0.330 -2.231 1.960 1.00 0.00 C ATOM 851 C VAL A 60 0.963 -3.605 2.161 1.00 0.00 C ATOM 852 O VAL A 60 2.100 -3.831 1.791 1.00 0.00 O ATOM 853 CB VAL A 60 0.561 -1.764 0.513 1.00 0.00 C ATOM 854 CG1 VAL A 60 -0.303 -0.535 0.219 1.00 0.00 C ATOM 855 CG2 VAL A 60 2.039 -1.416 0.280 1.00 0.00 C ATOM 0 H VAL A 60 1.808 -0.773 2.453 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.730 -2.327 2.196 1.00 0.00 H new ATOM 0 HB VAL A 60 0.283 -2.578 -0.157 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.135 -0.209 -0.807 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.355 -0.789 0.351 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.036 0.270 0.904 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.178 -1.088 -0.750 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.336 -0.616 0.958 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.654 -2.296 0.467 1.00 0.00 H new ATOM 865 N TYR A 61 0.234 -4.544 2.709 1.00 0.00 N ATOM 866 CA TYR A 61 0.817 -5.900 2.864 1.00 0.00 C ATOM 867 C TYR A 61 0.876 -6.541 1.484 1.00 0.00 C ATOM 868 O TYR A 61 -0.115 -7.026 0.968 1.00 0.00 O ATOM 869 CB TYR A 61 -0.104 -6.698 3.780 1.00 0.00 C ATOM 870 CG TYR A 61 0.625 -7.958 4.188 1.00 0.00 C ATOM 871 CD1 TYR A 61 0.927 -8.939 3.231 1.00 0.00 C ATOM 872 CD2 TYR A 61 1.013 -8.137 5.516 1.00 0.00 C ATOM 873 CE1 TYR A 61 1.610 -10.096 3.602 1.00 0.00 C ATOM 874 CE2 TYR A 61 1.699 -9.295 5.892 1.00 0.00 C ATOM 875 CZ TYR A 61 1.999 -10.276 4.936 1.00 0.00 C ATOM 876 OH TYR A 61 2.677 -11.420 5.309 1.00 0.00 O ATOM 0 H TYR A 61 -0.721 -4.430 3.048 1.00 0.00 H new ATOM 0 HA TYR A 61 1.819 -5.868 3.292 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.371 -6.110 4.658 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.033 -6.944 3.266 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.629 -8.797 2.203 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.783 -7.381 6.253 1.00 0.00 H new ATOM 0 HE1 TYR A 61 1.838 -10.851 2.864 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.998 -9.435 6.920 1.00 0.00 H new ATOM 0 HH TYR A 61 2.595 -12.094 4.602 1.00 0.00 H new ATOM 886 N ILE A 62 2.022 -6.524 0.875 1.00 0.00 N ATOM 887 CA ILE A 62 2.147 -7.109 -0.481 1.00 0.00 C ATOM 888 C ILE A 62 2.291 -8.619 -0.392 1.00 0.00 C ATOM 889 O ILE A 62 3.068 -9.132 0.384 1.00 0.00 O ATOM 890 CB ILE A 62 3.415 -6.492 -1.062 1.00 0.00 C ATOM 891 CG1 ILE A 62 3.277 -4.966 -1.068 1.00 0.00 C ATOM 892 CG2 ILE A 62 3.642 -7.014 -2.488 1.00 0.00 C ATOM 893 CD1 ILE A 62 4.306 -4.360 -0.109 1.00 0.00 C ATOM 0 H ILE A 62 2.880 -6.129 1.259 1.00 0.00 H new ATOM 0 HA ILE A 62 1.271 -6.907 -1.097 1.00 0.00 H new ATOM 0 HB ILE A 62 4.273 -6.771 -0.450 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.430 -4.580 -2.076 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.269 -4.679 -0.767 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.549 -6.570 -2.898 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.747 -8.099 -2.466 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.791 -6.744 -3.114 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.210 -3.274 -0.111 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.131 -4.738 0.898 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.310 -4.636 -0.431 1.00 0.00 H new ATOM 905 N THR A 63 1.569 -9.326 -1.208 1.00 0.00 N ATOM 906 CA THR A 63 1.688 -10.804 -1.217 1.00 0.00 C ATOM 907 C THR A 63 2.479 -11.178 -2.477 1.00 0.00 C ATOM 908 O THR A 63 3.305 -10.406 -2.930 1.00 0.00 O ATOM 909 CB THR A 63 0.247 -11.341 -1.242 1.00 0.00 C ATOM 910 OG1 THR A 63 -0.592 -10.510 -0.445 1.00 0.00 O ATOM 911 CG2 THR A 63 0.218 -12.768 -0.687 1.00 0.00 C ATOM 0 H THR A 63 0.898 -8.941 -1.873 1.00 0.00 H new ATOM 0 HA THR A 63 2.208 -11.222 -0.355 1.00 0.00 H new ATOM 0 HB THR A 63 -0.114 -11.342 -2.271 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.889 -9.741 -0.975 1.00 0.00 H new ATOM 0 HG21 THR A 63 -0.804 -13.145 -0.706 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.853 -13.409 -1.298 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.585 -12.767 0.339 1.00 0.00 H new ATOM 919 N GLU A 64 2.260 -12.325 -3.059 1.00 0.00 N ATOM 920 CA GLU A 64 3.042 -12.671 -4.282 1.00 0.00 C ATOM 921 C GLU A 64 2.323 -12.192 -5.559 1.00 0.00 C ATOM 922 O GLU A 64 2.846 -12.329 -6.650 1.00 0.00 O ATOM 923 CB GLU A 64 3.155 -14.199 -4.267 1.00 0.00 C ATOM 924 CG GLU A 64 4.347 -14.638 -5.124 1.00 0.00 C ATOM 925 CD GLU A 64 5.444 -15.215 -4.227 1.00 0.00 C ATOM 926 OE1 GLU A 64 5.293 -16.344 -3.787 1.00 0.00 O ATOM 927 OE2 GLU A 64 6.419 -14.519 -3.995 1.00 0.00 O ATOM 0 H GLU A 64 1.587 -13.026 -2.749 1.00 0.00 H new ATOM 0 HA GLU A 64 4.018 -12.187 -4.283 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.280 -14.554 -3.244 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.237 -14.645 -4.649 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.029 -15.385 -5.851 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.734 -13.789 -5.688 1.00 0.00 H new ATOM 934 N ASN A 65 1.135 -11.634 -5.443 1.00 0.00 N ATOM 935 CA ASN A 65 0.406 -11.158 -6.662 1.00 0.00 C ATOM 936 C ASN A 65 -0.147 -9.733 -6.467 1.00 0.00 C ATOM 937 O ASN A 65 -1.099 -9.339 -7.115 1.00 0.00 O ATOM 938 CB ASN A 65 -0.739 -12.159 -6.849 1.00 0.00 C ATOM 939 CG ASN A 65 -0.935 -12.442 -8.342 1.00 0.00 C ATOM 940 OD1 ASN A 65 -0.892 -13.580 -8.766 1.00 0.00 O ATOM 941 ND2 ASN A 65 -1.152 -11.449 -9.163 1.00 0.00 N ATOM 0 H ASN A 65 0.644 -11.490 -4.561 1.00 0.00 H new ATOM 0 HA ASN A 65 1.063 -11.109 -7.530 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.516 -13.085 -6.319 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.658 -11.760 -6.420 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.285 -11.630 -10.158 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.188 -10.493 -8.809 1.00 0.00 H new ATOM 948 N MET A 66 0.442 -8.959 -5.588 1.00 0.00 N ATOM 949 CA MET A 66 -0.044 -7.564 -5.357 1.00 0.00 C ATOM 950 C MET A 66 1.033 -6.552 -5.790 1.00 0.00 C ATOM 951 O MET A 66 0.728 -5.464 -6.236 1.00 0.00 O ATOM 952 CB MET A 66 -0.309 -7.489 -3.854 1.00 0.00 C ATOM 953 CG MET A 66 -1.311 -8.574 -3.446 1.00 0.00 C ATOM 954 SD MET A 66 -2.189 -8.054 -1.951 1.00 0.00 S ATOM 955 CE MET A 66 -3.334 -9.453 -1.862 1.00 0.00 C ATOM 0 H MET A 66 1.242 -9.235 -5.019 1.00 0.00 H new ATOM 0 HA MET A 66 -0.938 -7.326 -5.933 1.00 0.00 H new ATOM 0 HB2 MET A 66 0.624 -7.618 -3.305 1.00 0.00 H new ATOM 0 HB3 MET A 66 -0.699 -6.505 -3.593 1.00 0.00 H new ATOM 0 HG2 MET A 66 -2.021 -8.751 -4.254 1.00 0.00 H new ATOM 0 HG3 MET A 66 -0.791 -9.515 -3.266 1.00 0.00 H new ATOM 0 HE1 MET A 66 -3.948 -9.364 -0.966 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.975 -9.455 -2.743 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.769 -10.384 -1.823 1.00 0.00 H new ATOM 965 N VAL A 67 2.291 -6.913 -5.662 1.00 0.00 N ATOM 966 CA VAL A 67 3.412 -5.990 -6.059 1.00 0.00 C ATOM 967 C VAL A 67 3.375 -5.654 -7.558 1.00 0.00 C ATOM 968 O VAL A 67 2.748 -6.338 -8.348 1.00 0.00 O ATOM 969 CB VAL A 67 4.700 -6.765 -5.739 1.00 0.00 C ATOM 970 CG1 VAL A 67 4.682 -8.126 -6.445 1.00 0.00 C ATOM 971 CG2 VAL A 67 5.910 -5.967 -6.230 1.00 0.00 C ATOM 0 H VAL A 67 2.593 -7.816 -5.296 1.00 0.00 H new ATOM 0 HA VAL A 67 3.339 -5.041 -5.527 1.00 0.00 H new ATOM 0 HB VAL A 67 4.764 -6.915 -4.661 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.598 -8.668 -6.213 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.823 -8.702 -6.102 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.612 -7.976 -7.522 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.824 -6.516 -6.003 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.834 -5.817 -7.307 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.935 -4.999 -5.730 1.00 0.00 H new ATOM 981 N GLY A 68 4.077 -4.614 -7.951 1.00 0.00 N ATOM 982 CA GLY A 68 4.133 -4.234 -9.391 1.00 0.00 C ATOM 983 C GLY A 68 3.613 -2.810 -9.612 1.00 0.00 C ATOM 984 O GLY A 68 3.734 -2.278 -10.701 1.00 0.00 O ATOM 0 H GLY A 68 4.615 -4.012 -7.327 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.160 -4.308 -9.749 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.540 -4.935 -9.978 1.00 0.00 H new ATOM 988 N HIS A 69 3.024 -2.183 -8.618 1.00 0.00 N ATOM 989 CA HIS A 69 2.497 -0.809 -8.831 1.00 0.00 C ATOM 990 C HIS A 69 3.117 0.174 -7.831 1.00 0.00 C ATOM 991 O HIS A 69 4.099 0.827 -8.123 1.00 0.00 O ATOM 992 CB HIS A 69 0.982 -0.937 -8.619 1.00 0.00 C ATOM 993 CG HIS A 69 0.393 -1.807 -9.703 1.00 0.00 C ATOM 994 ND1 HIS A 69 0.676 -3.091 -10.111 1.00 0.00 N flip ATOM 995 CD2 HIS A 69 -0.632 -1.367 -10.527 1.00 0.00 C flip ATOM 996 CE1 HIS A 69 -0.158 -3.440 -11.168 1.00 0.00 C flip ATOM 997 NE2 HIS A 69 -0.925 -2.367 -11.379 1.00 0.00 N flip ATOM 0 H HIS A 69 2.890 -2.564 -7.681 1.00 0.00 H new ATOM 0 HA HIS A 69 2.739 -0.421 -9.820 1.00 0.00 H new ATOM 0 HB2 HIS A 69 0.776 -1.369 -7.640 1.00 0.00 H new ATOM 0 HB3 HIS A 69 0.517 0.049 -8.637 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -1.108 -0.398 -10.492 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -0.181 -4.378 -11.703 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -1.646 -2.312 -12.099 1.00 0.00 H new ATOM 1005 N LYS A 70 2.537 0.287 -6.664 1.00 0.00 N ATOM 1006 CA LYS A 70 3.059 1.229 -5.617 1.00 0.00 C ATOM 1007 C LYS A 70 2.168 1.182 -4.369 1.00 0.00 C ATOM 1008 O LYS A 70 2.620 1.378 -3.259 1.00 0.00 O ATOM 1009 CB LYS A 70 3.041 2.643 -6.230 1.00 0.00 C ATOM 1010 CG LYS A 70 1.829 2.818 -7.150 1.00 0.00 C ATOM 1011 CD LYS A 70 0.652 3.397 -6.362 1.00 0.00 C ATOM 1012 CE LYS A 70 -0.222 4.244 -7.292 1.00 0.00 C ATOM 1013 NZ LYS A 70 -1.552 4.319 -6.621 1.00 0.00 N ATOM 0 H LYS A 70 1.710 -0.240 -6.384 1.00 0.00 H new ATOM 0 HA LYS A 70 4.068 0.950 -5.315 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.012 3.389 -5.436 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.959 2.813 -6.793 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.083 3.480 -7.978 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.550 1.858 -7.584 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.062 2.591 -5.926 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.019 4.006 -5.536 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.203 5.237 -7.435 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.304 3.788 -8.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.203 4.885 -7.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.937 3.360 -6.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.445 4.765 -5.687 1.00 0.00 H new ATOM 1027 N LEU A 71 0.909 0.912 -4.580 1.00 0.00 N ATOM 1028 CA LEU A 71 -0.105 0.825 -3.472 1.00 0.00 C ATOM 1029 C LEU A 71 -1.534 0.651 -4.046 1.00 0.00 C ATOM 1030 O LEU A 71 -2.451 0.315 -3.323 1.00 0.00 O ATOM 1031 CB LEU A 71 -0.005 2.144 -2.677 1.00 0.00 C ATOM 1032 CG LEU A 71 -0.708 3.284 -3.424 1.00 0.00 C ATOM 1033 CD1 LEU A 71 -2.083 3.537 -2.800 1.00 0.00 C ATOM 1034 CD2 LEU A 71 0.138 4.557 -3.319 1.00 0.00 C ATOM 0 H LEU A 71 0.521 0.741 -5.508 1.00 0.00 H new ATOM 0 HA LEU A 71 0.092 -0.037 -2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.455 2.016 -1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.043 2.399 -2.517 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.830 3.009 -4.472 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.581 4.348 -3.332 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.687 2.632 -2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.962 3.812 -1.752 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.359 5.369 -3.849 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.258 4.828 -2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.118 4.380 -3.763 1.00 0.00 H new ATOM 1046 N GLY A 72 -1.733 0.882 -5.336 1.00 0.00 N ATOM 1047 CA GLY A 72 -3.090 0.737 -5.941 1.00 0.00 C ATOM 1048 C GLY A 72 -3.468 -0.743 -6.071 1.00 0.00 C ATOM 1049 O GLY A 72 -4.628 -1.077 -6.210 1.00 0.00 O ATOM 0 H GLY A 72 -1.002 1.166 -5.989 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.826 1.253 -5.324 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.109 1.210 -6.923 1.00 0.00 H new ATOM 1053 N GLU A 73 -2.508 -1.632 -6.005 1.00 0.00 N ATOM 1054 CA GLU A 73 -2.829 -3.091 -6.103 1.00 0.00 C ATOM 1055 C GLU A 73 -3.222 -3.616 -4.725 1.00 0.00 C ATOM 1056 O GLU A 73 -3.800 -4.678 -4.590 1.00 0.00 O ATOM 1057 CB GLU A 73 -1.539 -3.764 -6.569 1.00 0.00 C ATOM 1058 CG GLU A 73 -1.464 -3.729 -8.092 1.00 0.00 C ATOM 1059 CD GLU A 73 -2.450 -4.739 -8.683 1.00 0.00 C ATOM 1060 OE1 GLU A 73 -2.149 -5.923 -8.649 1.00 0.00 O ATOM 1061 OE2 GLU A 73 -3.489 -4.313 -9.162 1.00 0.00 O ATOM 0 H GLU A 73 -1.519 -1.412 -5.888 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.655 -3.287 -6.787 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.676 -3.254 -6.141 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.507 -4.795 -6.217 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.695 -2.727 -8.454 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.451 -3.961 -8.421 1.00 0.00 H new