USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=16 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 53 ASN : amide:sc= -0.406 X(o=-0.42,f=-0.38) USER MOD Set 1.2: A 55 LYS NZ :NH3+ 168:sc= -0.0159 (180deg=-0.0654) USER MOD Set 2.1: A 23 ASN : amide:sc= 1.1 K(o=-3,f=-4.3) USER MOD Set 2.2: A 47 HIS : no HD1:sc= -4.13 K(o=-3,f=-4.9) USER MOD Set 3.1: A 14 HIS : no HD1:sc= -0.0989 X(o=-0.099,f=-0.043) USER MOD Set 3.2: A 18 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.138) USER MOD Single : A 25 LYS NZ :NH3+ -129:sc= 0.92 (180deg=9.15e-05) USER MOD Single : A 28 LYS NZ :NH3+ -118:sc= 0.188 (180deg=-0.0255) USER MOD Single : A 32 LYS NZ :NH3+ -150:sc= -0.205 (180deg=-0.461) USER MOD Single : A 33 THR OG1 : rot -75:sc= 0.268 USER MOD Single : A 35 SER OG : rot 116:sc= 0.943 USER MOD Single : A 38 SER OG : rot 20:sc= -4.06! USER MOD Single : A 39 THR OG1 : rot 104:sc= 0.651 USER MOD Single : A 44 MET CE :methyl -162:sc= -11! (180deg=-11.9!) USER MOD Single : A 48 THR OG1 : rot -53:sc= 1.06 USER MOD Single : A 52 TYR OH : rot -127:sc= 0.346 USER MOD Single : A 56 GLN : amide:sc= -2.58 K(o=-2.6,f=-1.3) USER MOD Single : A 57 HIS : no HE2:sc= -2.31 K(o=-2.3,f=-3.3) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.127 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -6.14! C(o=-6.1!,f=-3.9!) USER MOD Single : A 70 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.016) USER MOD ----------------------------------------------------------------- ATOM 24 N PHE A 10 9.899 4.049 -10.130 1.00 0.00 N ATOM 25 CA PHE A 10 10.916 3.978 -9.037 1.00 0.00 C ATOM 26 C PHE A 10 10.365 3.184 -7.849 1.00 0.00 C ATOM 27 O PHE A 10 9.234 3.364 -7.438 1.00 0.00 O ATOM 28 CB PHE A 10 11.186 5.442 -8.637 1.00 0.00 C ATOM 29 CG PHE A 10 11.480 5.543 -7.148 1.00 0.00 C ATOM 30 CD1 PHE A 10 12.765 5.264 -6.659 1.00 0.00 C ATOM 31 CD2 PHE A 10 10.462 5.914 -6.258 1.00 0.00 C ATOM 32 CE1 PHE A 10 13.028 5.355 -5.285 1.00 0.00 C ATOM 33 CE2 PHE A 10 10.725 6.005 -4.885 1.00 0.00 C ATOM 34 CZ PHE A 10 12.010 5.725 -4.398 1.00 0.00 C ATOM 0 HA PHE A 10 11.828 3.473 -9.357 1.00 0.00 H new ATOM 0 HB2 PHE A 10 12.030 5.831 -9.207 1.00 0.00 H new ATOM 0 HB3 PHE A 10 10.322 6.058 -8.885 1.00 0.00 H new ATOM 0 HD1 PHE A 10 13.552 4.979 -7.341 1.00 0.00 H new ATOM 0 HD2 PHE A 10 9.472 6.130 -6.632 1.00 0.00 H new ATOM 0 HE1 PHE A 10 14.018 5.139 -4.910 1.00 0.00 H new ATOM 0 HE2 PHE A 10 9.939 6.291 -4.202 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.214 5.795 -3.340 1.00 0.00 H new ATOM 44 N VAL A 11 11.178 2.342 -7.272 1.00 0.00 N ATOM 45 CA VAL A 11 10.740 1.566 -6.079 1.00 0.00 C ATOM 46 C VAL A 11 11.565 2.034 -4.882 1.00 0.00 C ATOM 47 O VAL A 11 12.779 1.948 -4.892 1.00 0.00 O ATOM 48 CB VAL A 11 10.996 0.082 -6.403 1.00 0.00 C ATOM 49 CG1 VAL A 11 12.487 -0.170 -6.663 1.00 0.00 C ATOM 50 CG2 VAL A 11 10.540 -0.775 -5.216 1.00 0.00 C ATOM 0 H VAL A 11 12.133 2.158 -7.579 1.00 0.00 H new ATOM 0 HA VAL A 11 9.686 1.709 -5.839 1.00 0.00 H new ATOM 0 HB VAL A 11 10.437 -0.183 -7.300 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.644 -1.225 -6.890 1.00 0.00 H new ATOM 0 HG12 VAL A 11 12.817 0.435 -7.507 1.00 0.00 H new ATOM 0 HG13 VAL A 11 13.062 0.100 -5.777 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.718 -1.827 -5.437 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.101 -0.492 -4.326 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.476 -0.616 -5.040 1.00 0.00 H new ATOM 60 N ASP A 12 10.922 2.566 -3.871 1.00 0.00 N ATOM 61 CA ASP A 12 11.670 3.079 -2.685 1.00 0.00 C ATOM 62 C ASP A 12 12.773 2.110 -2.252 1.00 0.00 C ATOM 63 O ASP A 12 12.513 1.085 -1.655 1.00 0.00 O ATOM 64 CB ASP A 12 10.628 3.232 -1.575 1.00 0.00 C ATOM 65 CG ASP A 12 11.280 3.891 -0.355 1.00 0.00 C ATOM 66 OD1 ASP A 12 11.769 5.000 -0.492 1.00 0.00 O ATOM 67 OD2 ASP A 12 11.275 3.277 0.696 1.00 0.00 O ATOM 0 H ASP A 12 9.908 2.666 -3.818 1.00 0.00 H new ATOM 0 HA ASP A 12 12.166 4.022 -2.915 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.792 3.837 -1.926 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.224 2.257 -1.303 1.00 0.00 H new ATOM 72 N ASP A 13 14.006 2.452 -2.529 1.00 0.00 N ATOM 73 CA ASP A 13 15.138 1.585 -2.118 1.00 0.00 C ATOM 74 C ASP A 13 15.245 1.605 -0.590 1.00 0.00 C ATOM 75 O ASP A 13 15.806 0.714 0.020 1.00 0.00 O ATOM 76 CB ASP A 13 16.376 2.215 -2.758 1.00 0.00 C ATOM 77 CG ASP A 13 17.512 1.190 -2.800 1.00 0.00 C ATOM 78 OD1 ASP A 13 17.566 0.432 -3.755 1.00 0.00 O ATOM 79 OD2 ASP A 13 18.307 1.178 -1.875 1.00 0.00 O ATOM 0 H ASP A 13 14.273 3.302 -3.026 1.00 0.00 H new ATOM 0 HA ASP A 13 15.018 0.547 -2.429 1.00 0.00 H new ATOM 0 HB2 ASP A 13 16.143 2.555 -3.767 1.00 0.00 H new ATOM 0 HB3 ASP A 13 16.685 3.092 -2.189 1.00 0.00 H new ATOM 84 N HIS A 14 14.695 2.628 0.022 1.00 0.00 N ATOM 85 CA HIS A 14 14.730 2.746 1.503 1.00 0.00 C ATOM 86 C HIS A 14 13.886 1.640 2.150 1.00 0.00 C ATOM 87 O HIS A 14 14.165 1.203 3.250 1.00 0.00 O ATOM 88 CB HIS A 14 14.138 4.130 1.786 1.00 0.00 C ATOM 89 CG HIS A 14 14.813 4.733 2.987 1.00 0.00 C ATOM 90 ND1 HIS A 14 15.994 5.452 2.891 1.00 0.00 N ATOM 91 CD2 HIS A 14 14.483 4.730 4.319 1.00 0.00 C ATOM 92 CE1 HIS A 14 16.330 5.848 4.132 1.00 0.00 C ATOM 93 NE2 HIS A 14 15.442 5.435 5.041 1.00 0.00 N ATOM 0 H HIS A 14 14.218 3.393 -0.455 1.00 0.00 H new ATOM 0 HA HIS A 14 15.735 2.638 1.911 1.00 0.00 H new ATOM 0 HB2 HIS A 14 14.270 4.777 0.919 1.00 0.00 H new ATOM 0 HB3 HIS A 14 13.065 4.049 1.962 1.00 0.00 H new ATOM 0 HD2 HIS A 14 13.612 4.253 4.743 1.00 0.00 H new ATOM 0 HE1 HIS A 14 17.210 6.429 4.365 1.00 0.00 H new ATOM 0 HE2 HIS A 14 15.462 5.601 6.047 1.00 0.00 H new ATOM 101 N LEU A 15 12.871 1.168 1.465 1.00 0.00 N ATOM 102 CA LEU A 15 12.028 0.072 2.025 1.00 0.00 C ATOM 103 C LEU A 15 12.787 -1.241 1.882 1.00 0.00 C ATOM 104 O LEU A 15 12.741 -2.097 2.739 1.00 0.00 O ATOM 105 CB LEU A 15 10.735 0.076 1.185 1.00 0.00 C ATOM 106 CG LEU A 15 10.871 -0.809 -0.067 1.00 0.00 C ATOM 107 CD1 LEU A 15 10.605 -2.274 0.291 1.00 0.00 C ATOM 108 CD2 LEU A 15 9.860 -0.351 -1.122 1.00 0.00 C ATOM 0 H LEU A 15 12.592 1.497 0.541 1.00 0.00 H new ATOM 0 HA LEU A 15 11.794 0.202 3.082 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.904 -0.279 1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.498 1.097 0.886 1.00 0.00 H new ATOM 0 HG LEU A 15 11.884 -0.718 -0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.704 -2.891 -0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.326 -2.602 1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.596 -2.373 0.690 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.953 -0.975 -2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.850 -0.439 -0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.056 0.688 -1.387 1.00 0.00 H new ATOM 120 N LEU A 16 13.490 -1.384 0.791 1.00 0.00 N ATOM 121 CA LEU A 16 14.276 -2.622 0.546 1.00 0.00 C ATOM 122 C LEU A 16 15.322 -2.801 1.643 1.00 0.00 C ATOM 123 O LEU A 16 15.495 -3.882 2.171 1.00 0.00 O ATOM 124 CB LEU A 16 14.951 -2.426 -0.807 1.00 0.00 C ATOM 125 CG LEU A 16 14.037 -2.999 -1.879 1.00 0.00 C ATOM 126 CD1 LEU A 16 12.998 -1.951 -2.256 1.00 0.00 C ATOM 127 CD2 LEU A 16 14.858 -3.389 -3.108 1.00 0.00 C ATOM 0 H LEU A 16 13.552 -0.685 0.051 1.00 0.00 H new ATOM 0 HA LEU A 16 13.645 -3.511 0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 16 15.136 -1.368 -0.990 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.919 -2.926 -0.825 1.00 0.00 H new ATOM 0 HG LEU A 16 13.536 -3.889 -1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 16 12.338 -2.353 -3.024 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.412 -1.687 -1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 16 13.500 -1.062 -2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 16 14.197 -3.799 -3.872 1.00 0.00 H new ATOM 0 HD22 LEU A 16 15.365 -2.508 -3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 16 15.598 -4.139 -2.828 1.00 0.00 H new ATOM 139 N GLU A 17 16.006 -1.739 1.999 1.00 0.00 N ATOM 140 CA GLU A 17 17.036 -1.836 3.083 1.00 0.00 C ATOM 141 C GLU A 17 16.403 -2.399 4.369 1.00 0.00 C ATOM 142 O GLU A 17 17.080 -2.982 5.196 1.00 0.00 O ATOM 143 CB GLU A 17 17.552 -0.399 3.281 1.00 0.00 C ATOM 144 CG GLU A 17 16.951 0.220 4.547 1.00 0.00 C ATOM 145 CD GLU A 17 17.421 1.669 4.688 1.00 0.00 C ATOM 146 OE1 GLU A 17 16.869 2.520 4.011 1.00 0.00 O ATOM 147 OE2 GLU A 17 18.325 1.904 5.474 1.00 0.00 O ATOM 0 H GLU A 17 15.896 -0.812 1.587 1.00 0.00 H new ATOM 0 HA GLU A 17 17.852 -2.512 2.826 1.00 0.00 H new ATOM 0 HB2 GLU A 17 18.640 -0.404 3.353 1.00 0.00 H new ATOM 0 HB3 GLU A 17 17.293 0.209 2.414 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.863 0.184 4.499 1.00 0.00 H new ATOM 0 HG3 GLU A 17 17.251 -0.356 5.422 1.00 0.00 H new ATOM 154 N LYS A 18 15.111 -2.233 4.535 1.00 0.00 N ATOM 155 CA LYS A 18 14.428 -2.757 5.753 1.00 0.00 C ATOM 156 C LYS A 18 13.671 -4.056 5.434 1.00 0.00 C ATOM 157 O LYS A 18 13.532 -4.917 6.281 1.00 0.00 O ATOM 158 CB LYS A 18 13.447 -1.656 6.159 1.00 0.00 C ATOM 159 CG LYS A 18 14.198 -0.545 6.899 1.00 0.00 C ATOM 160 CD LYS A 18 13.497 0.794 6.660 1.00 0.00 C ATOM 161 CE LYS A 18 14.539 1.915 6.588 1.00 0.00 C ATOM 162 NZ LYS A 18 13.940 3.056 7.336 1.00 0.00 N ATOM 0 H LYS A 18 14.501 -1.754 3.873 1.00 0.00 H new ATOM 0 HA LYS A 18 15.136 -2.994 6.547 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.955 -1.250 5.275 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.666 -2.068 6.798 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.233 -0.764 7.966 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.230 -0.495 6.550 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.925 0.756 5.733 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.789 0.994 7.464 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.483 1.604 7.035 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.751 2.190 5.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.486 3.920 7.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 12.956 3.194 7.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.959 2.851 8.355 1.00 0.00 H new ATOM 176 N VAL A 19 13.174 -4.201 4.224 1.00 0.00 N ATOM 177 CA VAL A 19 12.421 -5.444 3.866 1.00 0.00 C ATOM 178 C VAL A 19 13.366 -6.642 3.742 1.00 0.00 C ATOM 179 O VAL A 19 13.032 -7.741 4.138 1.00 0.00 O ATOM 180 CB VAL A 19 11.749 -5.138 2.528 1.00 0.00 C ATOM 181 CG1 VAL A 19 12.716 -5.407 1.375 1.00 0.00 C ATOM 182 CG2 VAL A 19 10.511 -6.025 2.382 1.00 0.00 C ATOM 0 H VAL A 19 13.258 -3.514 3.475 1.00 0.00 H new ATOM 0 HA VAL A 19 11.693 -5.709 4.633 1.00 0.00 H new ATOM 0 HB VAL A 19 11.460 -4.087 2.500 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.224 -5.185 0.428 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.597 -4.774 1.484 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.018 -6.454 1.390 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.023 -5.815 1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 19 10.809 -7.073 2.414 1.00 0.00 H new ATOM 0 HG23 VAL A 19 9.818 -5.820 3.198 1.00 0.00 H new ATOM 192 N LEU A 20 14.551 -6.434 3.217 1.00 0.00 N ATOM 193 CA LEU A 20 15.517 -7.565 3.101 1.00 0.00 C ATOM 194 C LEU A 20 15.877 -8.020 4.511 1.00 0.00 C ATOM 195 O LEU A 20 16.166 -9.177 4.751 1.00 0.00 O ATOM 196 CB LEU A 20 16.741 -7.018 2.343 1.00 0.00 C ATOM 197 CG LEU A 20 17.489 -5.979 3.188 1.00 0.00 C ATOM 198 CD1 LEU A 20 18.549 -6.674 4.048 1.00 0.00 C ATOM 199 CD2 LEU A 20 18.174 -4.976 2.256 1.00 0.00 C ATOM 0 H LEU A 20 14.886 -5.536 2.867 1.00 0.00 H new ATOM 0 HA LEU A 20 15.113 -8.423 2.564 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.413 -7.838 2.089 1.00 0.00 H new ATOM 0 HB3 LEU A 20 16.420 -6.566 1.404 1.00 0.00 H new ATOM 0 HG LEU A 20 16.782 -5.463 3.837 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.077 -5.931 4.646 1.00 0.00 H new ATOM 0 HD12 LEU A 20 18.067 -7.395 4.708 1.00 0.00 H new ATOM 0 HD13 LEU A 20 19.259 -7.191 3.403 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.708 -4.234 2.849 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.879 -5.501 1.612 1.00 0.00 H new ATOM 0 HD23 LEU A 20 17.423 -4.478 1.642 1.00 0.00 H new ATOM 211 N GLU A 21 15.812 -7.109 5.454 1.00 0.00 N ATOM 212 CA GLU A 21 16.093 -7.469 6.861 1.00 0.00 C ATOM 213 C GLU A 21 14.918 -8.289 7.405 1.00 0.00 C ATOM 214 O GLU A 21 15.091 -9.170 8.225 1.00 0.00 O ATOM 215 CB GLU A 21 16.212 -6.137 7.601 1.00 0.00 C ATOM 216 CG GLU A 21 16.806 -6.369 8.994 1.00 0.00 C ATOM 217 CD GLU A 21 15.925 -5.689 10.047 1.00 0.00 C ATOM 218 OE1 GLU A 21 14.876 -6.229 10.352 1.00 0.00 O ATOM 219 OE2 GLU A 21 16.318 -4.638 10.528 1.00 0.00 O ATOM 0 H GLU A 21 15.574 -6.129 5.298 1.00 0.00 H new ATOM 0 HA GLU A 21 16.998 -8.066 6.976 1.00 0.00 H new ATOM 0 HB2 GLU A 21 16.844 -5.452 7.036 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.231 -5.669 7.687 1.00 0.00 H new ATOM 0 HG2 GLU A 21 16.875 -7.438 9.198 1.00 0.00 H new ATOM 0 HG3 GLU A 21 17.819 -5.970 9.040 1.00 0.00 H new ATOM 226 N LEU A 22 13.719 -8.014 6.928 1.00 0.00 N ATOM 227 CA LEU A 22 12.528 -8.786 7.391 1.00 0.00 C ATOM 228 C LEU A 22 12.509 -10.160 6.709 1.00 0.00 C ATOM 229 O LEU A 22 11.914 -11.097 7.205 1.00 0.00 O ATOM 230 CB LEU A 22 11.312 -7.952 6.964 1.00 0.00 C ATOM 231 CG LEU A 22 11.231 -6.636 7.762 1.00 0.00 C ATOM 232 CD1 LEU A 22 9.766 -6.309 8.058 1.00 0.00 C ATOM 233 CD2 LEU A 22 11.993 -6.758 9.088 1.00 0.00 C ATOM 0 H LEU A 22 13.522 -7.288 6.239 1.00 0.00 H new ATOM 0 HA LEU A 22 12.535 -8.958 8.467 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.375 -7.731 5.899 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.400 -8.529 7.116 1.00 0.00 H new ATOM 0 HG LEU A 22 11.681 -5.842 7.166 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.708 -5.378 8.622 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.221 -6.199 7.120 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.324 -7.116 8.642 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.923 -5.818 9.636 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.558 -7.559 9.685 1.00 0.00 H new ATOM 0 HD23 LEU A 22 13.040 -6.983 8.886 1.00 0.00 H new ATOM 245 N ASN A 23 13.175 -10.288 5.584 1.00 0.00 N ATOM 246 CA ASN A 23 13.222 -11.605 4.878 1.00 0.00 C ATOM 247 C ASN A 23 14.345 -12.469 5.468 1.00 0.00 C ATOM 248 O ASN A 23 14.352 -13.677 5.320 1.00 0.00 O ATOM 249 CB ASN A 23 13.522 -11.269 3.412 1.00 0.00 C ATOM 250 CG ASN A 23 12.230 -10.867 2.697 1.00 0.00 C ATOM 251 OD1 ASN A 23 11.354 -11.686 2.496 1.00 0.00 O ATOM 252 ND2 ASN A 23 12.074 -9.635 2.301 1.00 0.00 N ATOM 0 H ASN A 23 13.688 -9.535 5.126 1.00 0.00 H new ATOM 0 HA ASN A 23 12.291 -12.163 4.981 1.00 0.00 H new ATOM 0 HB2 ASN A 23 14.247 -10.457 3.357 1.00 0.00 H new ATOM 0 HB3 ASN A 23 13.970 -12.130 2.916 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.217 -9.358 1.822 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.809 -8.948 2.470 1.00 0.00 H new ATOM 259 N ALA A 24 15.291 -11.854 6.143 1.00 0.00 N ATOM 260 CA ALA A 24 16.409 -12.613 6.751 1.00 0.00 C ATOM 261 C ALA A 24 16.004 -13.116 8.136 1.00 0.00 C ATOM 262 O ALA A 24 16.324 -14.224 8.522 1.00 0.00 O ATOM 263 CB ALA A 24 17.553 -11.607 6.865 1.00 0.00 C ATOM 0 H ALA A 24 15.327 -10.846 6.294 1.00 0.00 H new ATOM 0 HA ALA A 24 16.689 -13.485 6.160 1.00 0.00 H new ATOM 0 HB1 ALA A 24 18.422 -12.093 7.308 1.00 0.00 H new ATOM 0 HB2 ALA A 24 17.811 -11.236 5.873 1.00 0.00 H new ATOM 0 HB3 ALA A 24 17.243 -10.773 7.495 1.00 0.00 H new ATOM 269 N LYS A 25 15.290 -12.307 8.881 1.00 0.00 N ATOM 270 CA LYS A 25 14.847 -12.732 10.241 1.00 0.00 C ATOM 271 C LYS A 25 13.480 -13.408 10.145 1.00 0.00 C ATOM 272 O LYS A 25 13.106 -14.198 10.991 1.00 0.00 O ATOM 273 CB LYS A 25 14.727 -11.443 11.060 1.00 0.00 C ATOM 274 CG LYS A 25 16.028 -10.641 10.982 1.00 0.00 C ATOM 275 CD LYS A 25 15.747 -9.179 11.336 1.00 0.00 C ATOM 276 CE LYS A 25 15.458 -9.057 12.837 1.00 0.00 C ATOM 277 NZ LYS A 25 14.873 -7.696 13.013 1.00 0.00 N ATOM 0 H LYS A 25 14.996 -11.371 8.604 1.00 0.00 H new ATOM 0 HA LYS A 25 15.544 -13.437 10.694 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.898 -10.842 10.685 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.502 -11.684 12.099 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.766 -11.057 11.668 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.450 -10.709 9.979 1.00 0.00 H new ATOM 0 HD2 LYS A 25 16.603 -8.559 11.069 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.897 -8.813 10.761 1.00 0.00 H new ATOM 0 HE2 LYS A 25 14.764 -9.830 13.169 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.369 -9.173 13.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 15.380 -7.196 13.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.963 -7.162 12.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.868 -7.780 13.266 1.00 0.00 H new ATOM 291 N GLY A 26 12.725 -13.075 9.129 1.00 0.00 N ATOM 292 CA GLY A 26 11.365 -13.659 8.973 1.00 0.00 C ATOM 293 C GLY A 26 10.348 -12.728 9.644 1.00 0.00 C ATOM 294 O GLY A 26 9.230 -13.117 9.920 1.00 0.00 O ATOM 0 H GLY A 26 12.997 -12.419 8.397 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.125 -13.781 7.917 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.326 -14.650 9.425 1.00 0.00 H new ATOM 298 N GLU A 27 10.735 -11.498 9.913 1.00 0.00 N ATOM 299 CA GLU A 27 9.797 -10.539 10.571 1.00 0.00 C ATOM 300 C GLU A 27 8.754 -10.036 9.568 1.00 0.00 C ATOM 301 O GLU A 27 9.087 -9.567 8.496 1.00 0.00 O ATOM 302 CB GLU A 27 10.677 -9.381 11.048 1.00 0.00 C ATOM 303 CG GLU A 27 11.176 -9.661 12.470 1.00 0.00 C ATOM 304 CD GLU A 27 10.938 -8.428 13.346 1.00 0.00 C ATOM 305 OE1 GLU A 27 9.869 -8.336 13.927 1.00 0.00 O ATOM 306 OE2 GLU A 27 11.828 -7.597 13.418 1.00 0.00 O ATOM 0 H GLU A 27 11.660 -11.122 9.703 1.00 0.00 H new ATOM 0 HA GLU A 27 9.250 -11.003 11.392 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.524 -9.254 10.374 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.111 -8.450 11.028 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.655 -10.523 12.887 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.237 -9.909 12.452 1.00 0.00 H new ATOM 313 N LYS A 28 7.496 -10.125 9.915 1.00 0.00 N ATOM 314 CA LYS A 28 6.421 -9.648 8.996 1.00 0.00 C ATOM 315 C LYS A 28 5.692 -8.458 9.634 1.00 0.00 C ATOM 316 O LYS A 28 4.477 -8.432 9.726 1.00 0.00 O ATOM 317 CB LYS A 28 5.485 -10.849 8.835 1.00 0.00 C ATOM 318 CG LYS A 28 6.053 -11.794 7.773 1.00 0.00 C ATOM 319 CD LYS A 28 5.432 -13.185 7.932 1.00 0.00 C ATOM 320 CE LYS A 28 6.305 -14.038 8.859 1.00 0.00 C ATOM 321 NZ LYS A 28 7.389 -14.582 7.991 1.00 0.00 N ATOM 0 H LYS A 28 7.166 -10.510 10.800 1.00 0.00 H new ATOM 0 HA LYS A 28 6.802 -9.307 8.033 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.380 -11.373 9.785 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.490 -10.513 8.544 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.844 -11.404 6.777 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.137 -11.856 7.870 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.425 -13.100 8.341 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.340 -13.666 6.958 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.716 -13.440 9.672 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.726 -14.841 9.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.332 -15.620 7.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.278 -14.214 7.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.314 -14.292 8.368 1.00 0.00 H new ATOM 335 N ARG A 29 6.435 -7.475 10.080 1.00 0.00 N ATOM 336 CA ARG A 29 5.809 -6.280 10.722 1.00 0.00 C ATOM 337 C ARG A 29 5.462 -5.222 9.662 1.00 0.00 C ATOM 338 O ARG A 29 4.389 -5.252 9.089 1.00 0.00 O ATOM 339 CB ARG A 29 6.863 -5.773 11.715 1.00 0.00 C ATOM 340 CG ARG A 29 6.305 -4.594 12.517 1.00 0.00 C ATOM 341 CD ARG A 29 7.051 -4.481 13.851 1.00 0.00 C ATOM 342 NE ARG A 29 8.402 -3.955 13.499 1.00 0.00 N ATOM 343 CZ ARG A 29 9.442 -4.749 13.517 1.00 0.00 C ATOM 344 NH1 ARG A 29 10.017 -5.098 12.395 1.00 0.00 N ATOM 345 NH2 ARG A 29 9.907 -5.191 14.657 1.00 0.00 N ATOM 0 H ARG A 29 7.453 -7.450 10.026 1.00 0.00 H new ATOM 0 HA ARG A 29 4.871 -6.513 11.225 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.154 -6.577 12.391 1.00 0.00 H new ATOM 0 HB3 ARG A 29 7.761 -5.466 11.179 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.414 -3.670 11.949 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.239 -4.735 12.696 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.533 -3.810 14.536 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.122 -5.450 14.346 1.00 0.00 H new ATOM 0 HE ARG A 29 8.515 -2.974 13.244 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.655 -4.751 11.507 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.828 -5.717 12.408 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.459 -4.917 15.531 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.718 -5.810 14.672 1.00 0.00 H new ATOM 359 N LEU A 30 6.349 -4.289 9.395 1.00 0.00 N ATOM 360 CA LEU A 30 6.053 -3.238 8.374 1.00 0.00 C ATOM 361 C LEU A 30 7.311 -2.403 8.073 1.00 0.00 C ATOM 362 O LEU A 30 8.128 -2.152 8.940 1.00 0.00 O ATOM 363 CB LEU A 30 4.928 -2.383 9.004 1.00 0.00 C ATOM 364 CG LEU A 30 5.416 -0.965 9.342 1.00 0.00 C ATOM 365 CD1 LEU A 30 4.237 0.010 9.278 1.00 0.00 C ATOM 366 CD2 LEU A 30 6.009 -0.953 10.755 1.00 0.00 C ATOM 0 H LEU A 30 7.263 -4.213 9.841 1.00 0.00 H new ATOM 0 HA LEU A 30 5.745 -3.658 7.416 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.086 -2.324 8.314 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.565 -2.869 9.910 1.00 0.00 H new ATOM 0 HG LEU A 30 6.178 -0.663 8.624 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.583 1.015 9.518 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.812 0.002 8.274 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.475 -0.293 9.997 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.355 0.052 10.996 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.246 -1.255 11.472 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.848 -1.647 10.803 1.00 0.00 H new ATOM 378 N ILE A 31 7.454 -1.963 6.846 1.00 0.00 N ATOM 379 CA ILE A 31 8.639 -1.125 6.467 1.00 0.00 C ATOM 380 C ILE A 31 8.157 0.277 6.071 1.00 0.00 C ATOM 381 O ILE A 31 7.381 0.439 5.150 1.00 0.00 O ATOM 382 CB ILE A 31 9.293 -1.855 5.285 1.00 0.00 C ATOM 383 CG1 ILE A 31 9.979 -3.122 5.806 1.00 0.00 C ATOM 384 CG2 ILE A 31 10.335 -0.944 4.618 1.00 0.00 C ATOM 385 CD1 ILE A 31 9.432 -4.344 5.067 1.00 0.00 C ATOM 0 H ILE A 31 6.799 -2.148 6.086 1.00 0.00 H new ATOM 0 HA ILE A 31 9.352 -0.998 7.282 1.00 0.00 H new ATOM 0 HB ILE A 31 8.532 -2.117 4.550 1.00 0.00 H new ATOM 0 HG12 ILE A 31 11.057 -3.050 5.661 1.00 0.00 H new ATOM 0 HG13 ILE A 31 9.808 -3.226 6.877 1.00 0.00 H new ATOM 0 HG21 ILE A 31 10.794 -1.469 3.781 1.00 0.00 H new ATOM 0 HG22 ILE A 31 9.848 -0.039 4.256 1.00 0.00 H new ATOM 0 HG23 ILE A 31 11.103 -0.677 5.344 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.922 -5.244 5.439 1.00 0.00 H new ATOM 0 HD12 ILE A 31 8.358 -4.420 5.235 1.00 0.00 H new ATOM 0 HD13 ILE A 31 9.626 -4.241 3.999 1.00 0.00 H new ATOM 397 N LYS A 32 8.595 1.286 6.780 1.00 0.00 N ATOM 398 CA LYS A 32 8.145 2.684 6.474 1.00 0.00 C ATOM 399 C LYS A 32 8.910 3.274 5.281 1.00 0.00 C ATOM 400 O LYS A 32 10.048 2.926 5.023 1.00 0.00 O ATOM 401 CB LYS A 32 8.440 3.493 7.745 1.00 0.00 C ATOM 402 CG LYS A 32 7.843 2.800 8.979 1.00 0.00 C ATOM 403 CD LYS A 32 6.334 2.611 8.798 1.00 0.00 C ATOM 404 CE LYS A 32 5.583 3.745 9.506 1.00 0.00 C ATOM 405 NZ LYS A 32 5.093 4.636 8.415 1.00 0.00 N ATOM 0 H LYS A 32 9.247 1.205 7.560 1.00 0.00 H new ATOM 0 HA LYS A 32 7.090 2.706 6.203 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.517 3.604 7.870 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.025 4.496 7.648 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.323 1.833 9.130 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.038 3.396 9.871 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.083 2.602 7.737 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.027 1.648 9.206 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.755 3.358 10.099 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.239 4.284 10.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.040 5.614 8.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.749 4.591 7.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.148 4.325 8.111 1.00 0.00 H new ATOM 419 N THR A 33 8.282 4.171 4.553 1.00 0.00 N ATOM 420 CA THR A 33 8.949 4.803 3.371 1.00 0.00 C ATOM 421 C THR A 33 8.657 6.314 3.336 1.00 0.00 C ATOM 422 O THR A 33 7.664 6.769 3.874 1.00 0.00 O ATOM 423 CB THR A 33 8.326 4.108 2.158 1.00 0.00 C ATOM 424 OG1 THR A 33 8.741 2.749 2.125 1.00 0.00 O ATOM 425 CG2 THR A 33 8.772 4.810 0.878 1.00 0.00 C ATOM 0 H THR A 33 7.330 4.493 4.730 1.00 0.00 H new ATOM 0 HA THR A 33 10.033 4.693 3.398 1.00 0.00 H new ATOM 0 HB THR A 33 7.240 4.154 2.234 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.670 2.698 1.817 1.00 0.00 H new ATOM 0 HG21 THR A 33 8.327 4.313 0.016 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.450 5.851 0.903 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.858 4.768 0.800 1.00 0.00 H new ATOM 433 N TRP A 34 9.515 7.095 2.708 1.00 0.00 N ATOM 434 CA TRP A 34 9.283 8.580 2.644 1.00 0.00 C ATOM 435 C TRP A 34 9.785 9.176 1.314 1.00 0.00 C ATOM 436 O TRP A 34 10.184 10.326 1.264 1.00 0.00 O ATOM 437 CB TRP A 34 10.098 9.175 3.796 1.00 0.00 C ATOM 438 CG TRP A 34 9.685 8.568 5.095 1.00 0.00 C ATOM 439 CD1 TRP A 34 8.643 8.974 5.847 1.00 0.00 C ATOM 440 CD2 TRP A 34 10.295 7.456 5.801 1.00 0.00 C ATOM 441 NE1 TRP A 34 8.577 8.184 6.982 1.00 0.00 N ATOM 442 CE2 TRP A 34 9.578 7.234 6.998 1.00 0.00 C ATOM 443 CE3 TRP A 34 11.393 6.631 5.519 1.00 0.00 C ATOM 444 CZ2 TRP A 34 9.942 6.223 7.888 1.00 0.00 C ATOM 445 CZ3 TRP A 34 11.764 5.613 6.410 1.00 0.00 C ATOM 446 CH2 TRP A 34 11.042 5.411 7.594 1.00 0.00 C ATOM 0 H TRP A 34 10.361 6.769 2.240 1.00 0.00 H new ATOM 0 HA TRP A 34 8.218 8.803 2.716 1.00 0.00 H new ATOM 0 HB2 TRP A 34 11.160 8.999 3.627 1.00 0.00 H new ATOM 0 HB3 TRP A 34 9.955 10.255 3.831 1.00 0.00 H new ATOM 0 HD1 TRP A 34 7.970 9.783 5.604 1.00 0.00 H new ATOM 0 HE1 TRP A 34 7.876 8.291 7.715 1.00 0.00 H new ATOM 0 HE3 TRP A 34 11.957 6.780 4.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 9.379 6.069 8.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 12.610 4.982 6.182 1.00 0.00 H new ATOM 0 HH2 TRP A 34 11.335 4.629 8.279 1.00 0.00 H new ATOM 457 N SER A 35 9.776 8.421 0.242 1.00 0.00 N ATOM 458 CA SER A 35 10.265 8.980 -1.062 1.00 0.00 C ATOM 459 C SER A 35 9.151 9.786 -1.758 1.00 0.00 C ATOM 460 O SER A 35 8.932 10.939 -1.436 1.00 0.00 O ATOM 461 CB SER A 35 10.690 7.764 -1.893 1.00 0.00 C ATOM 462 OG SER A 35 12.075 7.520 -1.685 1.00 0.00 O ATOM 0 H SER A 35 9.456 7.453 0.210 1.00 0.00 H new ATOM 0 HA SER A 35 11.096 9.672 -0.928 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.107 6.889 -1.605 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.494 7.944 -2.950 1.00 0.00 H new ATOM 0 HG SER A 35 12.192 6.647 -1.255 1.00 0.00 H new ATOM 468 N ARG A 36 8.450 9.197 -2.703 1.00 0.00 N ATOM 469 CA ARG A 36 7.353 9.932 -3.415 1.00 0.00 C ATOM 470 C ARG A 36 6.617 8.970 -4.356 1.00 0.00 C ATOM 471 O ARG A 36 5.439 8.713 -4.196 1.00 0.00 O ATOM 472 CB ARG A 36 8.050 11.040 -4.216 1.00 0.00 C ATOM 473 CG ARG A 36 7.019 12.086 -4.648 1.00 0.00 C ATOM 474 CD ARG A 36 7.691 13.459 -4.748 1.00 0.00 C ATOM 475 NE ARG A 36 6.599 14.441 -4.491 1.00 0.00 N ATOM 476 CZ ARG A 36 6.590 15.135 -3.382 1.00 0.00 C ATOM 477 NH1 ARG A 36 6.997 16.377 -3.385 1.00 0.00 N ATOM 478 NH2 ARG A 36 6.173 14.584 -2.271 1.00 0.00 N ATOM 0 H ARG A 36 8.592 8.235 -3.012 1.00 0.00 H new ATOM 0 HA ARG A 36 6.617 10.344 -2.725 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.826 11.508 -3.610 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.542 10.616 -5.091 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.587 11.810 -5.610 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.200 12.122 -3.930 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.493 13.560 -4.017 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.135 13.611 -5.732 1.00 0.00 H new ATOM 0 HE ARG A 36 5.859 14.572 -5.180 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.322 16.805 -4.252 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.990 16.918 -2.520 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.856 13.615 -2.270 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.165 15.124 -1.406 1.00 0.00 H new ATOM 492 N ARG A 37 7.316 8.421 -5.322 1.00 0.00 N ATOM 493 CA ARG A 37 6.681 7.454 -6.268 1.00 0.00 C ATOM 494 C ARG A 37 7.002 6.022 -5.811 1.00 0.00 C ATOM 495 O ARG A 37 7.333 5.160 -6.601 1.00 0.00 O ATOM 496 CB ARG A 37 7.317 7.758 -7.629 1.00 0.00 C ATOM 497 CG ARG A 37 6.423 7.221 -8.751 1.00 0.00 C ATOM 498 CD ARG A 37 7.033 5.939 -9.324 1.00 0.00 C ATOM 499 NE ARG A 37 7.121 6.172 -10.793 1.00 0.00 N ATOM 500 CZ ARG A 37 6.123 5.840 -11.571 1.00 0.00 C ATOM 501 NH1 ARG A 37 5.458 6.766 -12.210 1.00 0.00 N ATOM 502 NH2 ARG A 37 5.790 4.582 -11.709 1.00 0.00 N ATOM 0 H ARG A 37 8.305 8.604 -5.495 1.00 0.00 H new ATOM 0 HA ARG A 37 5.596 7.543 -6.312 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.455 8.833 -7.744 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.305 7.302 -7.689 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.422 7.020 -8.368 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.319 7.969 -9.537 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.017 5.745 -8.896 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.411 5.072 -9.099 1.00 0.00 H new ATOM 0 HE ARG A 37 7.961 6.591 -11.193 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.717 7.747 -12.102 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.680 6.508 -12.817 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.309 3.859 -11.210 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.012 4.324 -12.316 1.00 0.00 H new ATOM 516 N SER A 38 6.916 5.784 -4.525 1.00 0.00 N ATOM 517 CA SER A 38 7.222 4.437 -3.957 1.00 0.00 C ATOM 518 C SER A 38 6.463 3.320 -4.689 1.00 0.00 C ATOM 519 O SER A 38 5.274 3.413 -4.934 1.00 0.00 O ATOM 520 CB SER A 38 6.771 4.537 -2.499 1.00 0.00 C ATOM 521 OG SER A 38 7.844 5.035 -1.717 1.00 0.00 O ATOM 0 H SER A 38 6.641 6.481 -3.833 1.00 0.00 H new ATOM 0 HA SER A 38 8.277 4.182 -4.059 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.907 5.197 -2.417 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.461 3.558 -2.133 1.00 0.00 H new ATOM 0 HG SER A 38 8.489 5.489 -2.298 1.00 0.00 H new ATOM 527 N THR A 39 7.156 2.257 -5.022 1.00 0.00 N ATOM 528 CA THR A 39 6.513 1.103 -5.725 1.00 0.00 C ATOM 529 C THR A 39 6.812 -0.190 -4.961 1.00 0.00 C ATOM 530 O THR A 39 7.719 -0.246 -4.150 1.00 0.00 O ATOM 531 CB THR A 39 7.146 1.065 -7.124 1.00 0.00 C ATOM 532 OG1 THR A 39 6.695 2.184 -7.875 1.00 0.00 O ATOM 533 CG2 THR A 39 6.743 -0.230 -7.847 1.00 0.00 C ATOM 0 H THR A 39 8.152 2.139 -4.834 1.00 0.00 H new ATOM 0 HA THR A 39 5.430 1.205 -5.785 1.00 0.00 H new ATOM 0 HB THR A 39 8.231 1.098 -7.028 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.408 2.855 -7.923 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.196 -0.249 -8.838 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.089 -1.090 -7.273 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.658 -0.271 -7.943 1.00 0.00 H new ATOM 541 N ILE A 40 6.050 -1.225 -5.200 1.00 0.00 N ATOM 542 CA ILE A 40 6.285 -2.514 -4.469 1.00 0.00 C ATOM 543 C ILE A 40 7.439 -3.319 -5.097 1.00 0.00 C ATOM 544 O ILE A 40 7.819 -3.104 -6.233 1.00 0.00 O ATOM 545 CB ILE A 40 4.981 -3.306 -4.591 1.00 0.00 C ATOM 546 CG1 ILE A 40 3.770 -2.383 -4.435 1.00 0.00 C ATOM 547 CG2 ILE A 40 4.937 -4.361 -3.497 1.00 0.00 C ATOM 548 CD1 ILE A 40 2.989 -2.370 -5.746 1.00 0.00 C ATOM 0 H ILE A 40 5.277 -1.238 -5.866 1.00 0.00 H new ATOM 0 HA ILE A 40 6.561 -2.322 -3.432 1.00 0.00 H new ATOM 0 HB ILE A 40 4.946 -3.772 -5.576 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.134 -2.729 -3.620 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.095 -1.374 -4.179 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.011 -4.930 -3.577 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.787 -5.035 -3.607 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.982 -3.876 -2.522 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.123 -1.715 -5.647 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.630 -2.005 -6.548 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.655 -3.381 -5.980 1.00 0.00 H new ATOM 560 N VAL A 41 7.975 -4.265 -4.356 1.00 0.00 N ATOM 561 CA VAL A 41 9.089 -5.127 -4.882 1.00 0.00 C ATOM 562 C VAL A 41 8.757 -6.601 -4.663 1.00 0.00 C ATOM 563 O VAL A 41 7.819 -6.936 -3.964 1.00 0.00 O ATOM 564 CB VAL A 41 10.368 -4.773 -4.097 1.00 0.00 C ATOM 565 CG1 VAL A 41 11.240 -3.837 -4.934 1.00 0.00 C ATOM 566 CG2 VAL A 41 10.030 -4.094 -2.763 1.00 0.00 C ATOM 0 H VAL A 41 7.686 -4.479 -3.401 1.00 0.00 H new ATOM 0 HA VAL A 41 9.226 -4.954 -5.949 1.00 0.00 H new ATOM 0 HB VAL A 41 10.905 -5.698 -3.887 1.00 0.00 H new ATOM 0 HG11 VAL A 41 12.144 -3.587 -4.378 1.00 0.00 H new ATOM 0 HG12 VAL A 41 11.512 -4.331 -5.867 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.686 -2.924 -5.155 1.00 0.00 H new ATOM 0 HG21 VAL A 41 10.952 -3.856 -2.232 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.473 -3.176 -2.953 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.424 -4.767 -2.156 1.00 0.00 H new ATOM 576 N PRO A 42 9.555 -7.436 -5.272 1.00 0.00 N ATOM 577 CA PRO A 42 9.367 -8.904 -5.153 1.00 0.00 C ATOM 578 C PRO A 42 9.656 -9.378 -3.727 1.00 0.00 C ATOM 579 O PRO A 42 9.058 -10.320 -3.244 1.00 0.00 O ATOM 580 CB PRO A 42 10.383 -9.463 -6.138 1.00 0.00 C ATOM 581 CG PRO A 42 11.426 -8.406 -6.265 1.00 0.00 C ATOM 582 CD PRO A 42 10.710 -7.098 -6.120 1.00 0.00 C ATOM 0 HA PRO A 42 8.348 -9.227 -5.365 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.811 -10.397 -5.775 1.00 0.00 H new ATOM 0 HB3 PRO A 42 9.921 -9.678 -7.101 1.00 0.00 H new ATOM 0 HG2 PRO A 42 12.191 -8.519 -5.497 1.00 0.00 H new ATOM 0 HG3 PRO A 42 11.930 -8.470 -7.229 1.00 0.00 H new ATOM 0 HD2 PRO A 42 11.343 -6.342 -5.655 1.00 0.00 H new ATOM 0 HD3 PRO A 42 10.397 -6.701 -7.086 1.00 0.00 H new ATOM 590 N GLU A 43 10.560 -8.723 -3.048 1.00 0.00 N ATOM 591 CA GLU A 43 10.883 -9.119 -1.643 1.00 0.00 C ATOM 592 C GLU A 43 9.834 -8.561 -0.658 1.00 0.00 C ATOM 593 O GLU A 43 9.979 -8.688 0.542 1.00 0.00 O ATOM 594 CB GLU A 43 12.264 -8.516 -1.363 1.00 0.00 C ATOM 595 CG GLU A 43 12.189 -6.986 -1.425 1.00 0.00 C ATOM 596 CD GLU A 43 13.458 -6.436 -2.077 1.00 0.00 C ATOM 597 OE1 GLU A 43 14.417 -6.204 -1.359 1.00 0.00 O ATOM 598 OE2 GLU A 43 13.448 -6.257 -3.285 1.00 0.00 O ATOM 0 H GLU A 43 11.091 -7.929 -3.405 1.00 0.00 H new ATOM 0 HA GLU A 43 10.877 -10.202 -1.517 1.00 0.00 H new ATOM 0 HB2 GLU A 43 12.616 -8.832 -0.381 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.985 -8.883 -2.093 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.312 -6.678 -1.995 1.00 0.00 H new ATOM 0 HG3 GLU A 43 12.077 -6.576 -0.421 1.00 0.00 H new ATOM 605 N MET A 44 8.784 -7.946 -1.158 1.00 0.00 N ATOM 606 CA MET A 44 7.727 -7.380 -0.257 1.00 0.00 C ATOM 607 C MET A 44 6.527 -8.336 -0.127 1.00 0.00 C ATOM 608 O MET A 44 5.618 -8.088 0.636 1.00 0.00 O ATOM 609 CB MET A 44 7.292 -6.089 -0.945 1.00 0.00 C ATOM 610 CG MET A 44 7.796 -4.898 -0.142 1.00 0.00 C ATOM 611 SD MET A 44 6.549 -3.586 -0.167 1.00 0.00 S ATOM 612 CE MET A 44 7.436 -2.420 -1.225 1.00 0.00 C ATOM 0 H MET A 44 8.614 -7.812 -2.155 1.00 0.00 H new ATOM 0 HA MET A 44 8.103 -7.221 0.754 1.00 0.00 H new ATOM 0 HB2 MET A 44 7.689 -6.052 -1.960 1.00 0.00 H new ATOM 0 HB3 MET A 44 6.206 -6.054 -1.026 1.00 0.00 H new ATOM 0 HG2 MET A 44 8.003 -5.199 0.885 1.00 0.00 H new ATOM 0 HG3 MET A 44 8.733 -4.532 -0.562 1.00 0.00 H new ATOM 0 HE1 MET A 44 7.002 -1.426 -1.116 1.00 0.00 H new ATOM 0 HE2 MET A 44 8.486 -2.391 -0.934 1.00 0.00 H new ATOM 0 HE3 MET A 44 7.356 -2.738 -2.264 1.00 0.00 H new ATOM 622 N VAL A 45 6.526 -9.413 -0.876 1.00 0.00 N ATOM 623 CA VAL A 45 5.401 -10.419 -0.856 1.00 0.00 C ATOM 624 C VAL A 45 4.968 -10.862 0.569 1.00 0.00 C ATOM 625 O VAL A 45 3.994 -11.571 0.720 1.00 0.00 O ATOM 626 CB VAL A 45 5.981 -11.610 -1.632 1.00 0.00 C ATOM 627 CG1 VAL A 45 5.053 -12.819 -1.527 1.00 0.00 C ATOM 628 CG2 VAL A 45 6.153 -11.219 -3.102 1.00 0.00 C ATOM 0 H VAL A 45 7.279 -9.648 -1.522 1.00 0.00 H new ATOM 0 HA VAL A 45 4.493 -9.995 -1.284 1.00 0.00 H new ATOM 0 HB VAL A 45 6.948 -11.876 -1.204 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.479 -13.654 -2.083 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.939 -13.100 -0.480 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.078 -12.566 -1.943 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.565 -12.062 -3.657 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.185 -10.946 -3.522 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.832 -10.370 -3.176 1.00 0.00 H new ATOM 638 N GLY A 46 5.654 -10.459 1.605 1.00 0.00 N ATOM 639 CA GLY A 46 5.245 -10.866 2.980 1.00 0.00 C ATOM 640 C GLY A 46 5.528 -9.718 3.950 1.00 0.00 C ATOM 641 O GLY A 46 5.971 -9.935 5.061 1.00 0.00 O ATOM 0 H GLY A 46 6.481 -9.864 1.558 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.185 -11.119 2.997 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.791 -11.759 3.285 1.00 0.00 H new ATOM 645 N HIS A 47 5.291 -8.495 3.532 1.00 0.00 N ATOM 646 CA HIS A 47 5.567 -7.331 4.428 1.00 0.00 C ATOM 647 C HIS A 47 4.513 -6.238 4.254 1.00 0.00 C ATOM 648 O HIS A 47 4.011 -6.007 3.171 1.00 0.00 O ATOM 649 CB HIS A 47 6.941 -6.791 4.001 1.00 0.00 C ATOM 650 CG HIS A 47 7.943 -7.912 3.927 1.00 0.00 C ATOM 651 ND1 HIS A 47 8.754 -8.256 4.994 1.00 0.00 N ATOM 652 CD2 HIS A 47 8.267 -8.778 2.914 1.00 0.00 C ATOM 653 CE1 HIS A 47 9.521 -9.291 4.603 1.00 0.00 C ATOM 654 NE2 HIS A 47 9.263 -9.648 3.342 1.00 0.00 N ATOM 0 H HIS A 47 4.920 -8.256 2.612 1.00 0.00 H new ATOM 0 HA HIS A 47 5.546 -7.635 5.475 1.00 0.00 H new ATOM 0 HB2 HIS A 47 6.861 -6.301 3.031 1.00 0.00 H new ATOM 0 HB3 HIS A 47 7.280 -6.037 4.712 1.00 0.00 H new ATOM 0 HD2 HIS A 47 7.817 -8.783 1.932 1.00 0.00 H new ATOM 0 HE1 HIS A 47 10.255 -9.773 5.232 1.00 0.00 H new ATOM 0 HE2 HIS A 47 9.702 -10.398 2.808 1.00 0.00 H new ATOM 662 N THR A 48 4.219 -5.537 5.317 1.00 0.00 N ATOM 663 CA THR A 48 3.244 -4.419 5.259 1.00 0.00 C ATOM 664 C THR A 48 4.067 -3.137 5.177 1.00 0.00 C ATOM 665 O THR A 48 4.335 -2.479 6.163 1.00 0.00 O ATOM 666 CB THR A 48 2.438 -4.491 6.571 1.00 0.00 C ATOM 667 OG1 THR A 48 2.492 -5.809 7.107 1.00 0.00 O ATOM 668 CG2 THR A 48 0.980 -4.123 6.299 1.00 0.00 C ATOM 0 H THR A 48 4.624 -5.699 6.239 1.00 0.00 H new ATOM 0 HA THR A 48 2.561 -4.460 4.411 1.00 0.00 H new ATOM 0 HB THR A 48 2.869 -3.791 7.287 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.222 -6.453 6.420 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.412 -4.175 7.228 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.929 -3.111 5.898 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.557 -4.821 5.576 1.00 0.00 H new ATOM 676 N ILE A 49 4.525 -2.816 4.004 1.00 0.00 N ATOM 677 CA ILE A 49 5.396 -1.614 3.850 1.00 0.00 C ATOM 678 C ILE A 49 4.569 -0.349 3.682 1.00 0.00 C ATOM 679 O ILE A 49 3.753 -0.242 2.785 1.00 0.00 O ATOM 680 CB ILE A 49 6.243 -1.888 2.606 1.00 0.00 C ATOM 681 CG1 ILE A 49 7.107 -3.138 2.867 1.00 0.00 C ATOM 682 CG2 ILE A 49 7.131 -0.670 2.312 1.00 0.00 C ATOM 683 CD1 ILE A 49 8.471 -3.004 2.187 1.00 0.00 C ATOM 0 H ILE A 49 4.337 -3.330 3.144 1.00 0.00 H new ATOM 0 HA ILE A 49 6.014 -1.450 4.733 1.00 0.00 H new ATOM 0 HB ILE A 49 5.604 -2.065 1.741 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.242 -3.275 3.940 1.00 0.00 H new ATOM 0 HG13 ILE A 49 6.595 -4.025 2.494 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.735 -0.865 1.426 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.504 0.204 2.138 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.786 -0.483 3.163 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.065 -3.897 2.384 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.332 -2.890 1.112 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.989 -2.129 2.580 1.00 0.00 H new ATOM 695 N ALA A 50 4.795 0.623 4.534 1.00 0.00 N ATOM 696 CA ALA A 50 4.043 1.896 4.415 1.00 0.00 C ATOM 697 C ALA A 50 4.645 2.717 3.286 1.00 0.00 C ATOM 698 O ALA A 50 5.439 3.618 3.499 1.00 0.00 O ATOM 699 CB ALA A 50 4.175 2.603 5.762 1.00 0.00 C ATOM 0 H ALA A 50 5.466 0.583 5.301 1.00 0.00 H new ATOM 0 HA ALA A 50 2.990 1.742 4.181 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.637 3.551 5.730 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.754 1.973 6.546 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.228 2.790 5.973 1.00 0.00 H new ATOM 705 N VAL A 51 4.277 2.382 2.079 1.00 0.00 N ATOM 706 CA VAL A 51 4.819 3.106 0.892 1.00 0.00 C ATOM 707 C VAL A 51 4.433 4.584 0.958 1.00 0.00 C ATOM 708 O VAL A 51 3.284 4.928 1.168 1.00 0.00 O ATOM 709 CB VAL A 51 4.194 2.432 -0.342 1.00 0.00 C ATOM 710 CG1 VAL A 51 4.550 0.941 -0.357 1.00 0.00 C ATOM 711 CG2 VAL A 51 2.667 2.593 -0.318 1.00 0.00 C ATOM 0 H VAL A 51 3.620 1.633 1.862 1.00 0.00 H new ATOM 0 HA VAL A 51 5.907 3.060 0.853 1.00 0.00 H new ATOM 0 HB VAL A 51 4.589 2.909 -1.239 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.105 0.469 -1.233 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.633 0.826 -0.394 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.166 0.466 0.546 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.237 2.112 -1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.266 2.129 0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.413 3.653 -0.324 1.00 0.00 H new ATOM 721 N TYR A 52 5.386 5.458 0.779 1.00 0.00 N ATOM 722 CA TYR A 52 5.074 6.909 0.825 1.00 0.00 C ATOM 723 C TYR A 52 4.434 7.329 -0.499 1.00 0.00 C ATOM 724 O TYR A 52 5.100 7.444 -1.513 1.00 0.00 O ATOM 725 CB TYR A 52 6.418 7.619 1.045 1.00 0.00 C ATOM 726 CG TYR A 52 6.178 9.073 1.376 1.00 0.00 C ATOM 727 CD1 TYR A 52 5.422 9.421 2.502 1.00 0.00 C ATOM 728 CD2 TYR A 52 6.720 10.073 0.563 1.00 0.00 C ATOM 729 CE1 TYR A 52 5.210 10.768 2.813 1.00 0.00 C ATOM 730 CE2 TYR A 52 6.506 11.420 0.873 1.00 0.00 C ATOM 731 CZ TYR A 52 5.751 11.768 1.999 1.00 0.00 C ATOM 732 OH TYR A 52 5.542 13.097 2.307 1.00 0.00 O ATOM 0 H TYR A 52 6.364 5.228 0.603 1.00 0.00 H new ATOM 0 HA TYR A 52 4.371 7.162 1.619 1.00 0.00 H new ATOM 0 HB2 TYR A 52 6.966 7.138 1.855 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.034 7.537 0.150 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.003 8.649 3.130 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.304 9.805 -0.305 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.628 11.036 3.682 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.923 12.192 0.243 1.00 0.00 H new ATOM 0 HH TYR A 52 5.180 13.561 1.524 1.00 0.00 H new ATOM 742 N ASN A 53 3.143 7.562 -0.494 1.00 0.00 N ATOM 743 CA ASN A 53 2.440 7.982 -1.749 1.00 0.00 C ATOM 744 C ASN A 53 2.851 9.415 -2.148 1.00 0.00 C ATOM 745 O ASN A 53 2.378 9.954 -3.132 1.00 0.00 O ATOM 746 CB ASN A 53 0.948 7.918 -1.386 1.00 0.00 C ATOM 747 CG ASN A 53 0.098 8.514 -2.513 1.00 0.00 C ATOM 748 OD1 ASN A 53 -0.143 7.869 -3.515 1.00 0.00 O ATOM 749 ND2 ASN A 53 -0.369 9.728 -2.389 1.00 0.00 N ATOM 0 H ASN A 53 2.544 7.479 0.327 1.00 0.00 H new ATOM 0 HA ASN A 53 2.686 7.348 -2.601 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.654 6.883 -1.209 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.769 8.463 -0.459 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -0.936 10.135 -3.133 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.167 10.269 -1.548 1.00 0.00 H new ATOM 756 N GLY A 54 3.710 10.036 -1.380 1.00 0.00 N ATOM 757 CA GLY A 54 4.136 11.432 -1.679 1.00 0.00 C ATOM 758 C GLY A 54 3.724 12.314 -0.496 1.00 0.00 C ATOM 759 O GLY A 54 4.232 13.402 -0.311 1.00 0.00 O ATOM 0 H GLY A 54 4.138 9.628 -0.549 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.214 11.477 -1.831 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.669 11.785 -2.599 1.00 0.00 H new ATOM 763 N LYS A 55 2.800 11.833 0.305 1.00 0.00 N ATOM 764 CA LYS A 55 2.330 12.608 1.491 1.00 0.00 C ATOM 765 C LYS A 55 2.115 11.683 2.700 1.00 0.00 C ATOM 766 O LYS A 55 2.213 12.113 3.834 1.00 0.00 O ATOM 767 CB LYS A 55 0.994 13.241 1.073 1.00 0.00 C ATOM 768 CG LYS A 55 0.201 12.289 0.166 1.00 0.00 C ATOM 769 CD LYS A 55 -1.160 12.907 -0.165 1.00 0.00 C ATOM 770 CE LYS A 55 -1.015 13.870 -1.351 1.00 0.00 C ATOM 771 NZ LYS A 55 -1.062 13.007 -2.568 1.00 0.00 N ATOM 0 H LYS A 55 2.349 10.926 0.183 1.00 0.00 H new ATOM 0 HA LYS A 55 3.064 13.357 1.787 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.406 13.480 1.959 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.179 14.179 0.550 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.757 12.098 -0.752 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.064 11.328 0.662 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.877 12.123 -0.406 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.549 13.439 0.703 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.818 14.606 -1.360 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.077 14.422 -1.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.173 13.604 -3.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.179 12.463 -2.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.867 12.352 -2.498 1.00 0.00 H new ATOM 785 N GLN A 56 1.791 10.429 2.472 1.00 0.00 N ATOM 786 CA GLN A 56 1.535 9.498 3.611 1.00 0.00 C ATOM 787 C GLN A 56 2.206 8.134 3.401 1.00 0.00 C ATOM 788 O GLN A 56 2.438 7.700 2.289 1.00 0.00 O ATOM 789 CB GLN A 56 0.002 9.391 3.634 1.00 0.00 C ATOM 790 CG GLN A 56 -0.478 7.985 3.257 1.00 0.00 C ATOM 791 CD GLN A 56 -1.159 7.330 4.463 1.00 0.00 C ATOM 792 OE1 GLN A 56 -2.360 7.148 4.470 1.00 0.00 O ATOM 793 NE2 GLN A 56 -0.439 6.967 5.491 1.00 0.00 N ATOM 0 H GLN A 56 1.694 10.014 1.545 1.00 0.00 H new ATOM 0 HA GLN A 56 1.949 9.855 4.554 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.365 9.645 4.628 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.423 10.118 2.942 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.174 8.040 2.420 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.366 7.378 2.930 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.570 7.119 5.487 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.885 6.531 6.298 1.00 0.00 H new ATOM 802 N HIS A 57 2.477 7.449 4.484 1.00 0.00 N ATOM 803 CA HIS A 57 3.091 6.091 4.409 1.00 0.00 C ATOM 804 C HIS A 57 1.983 5.055 4.632 1.00 0.00 C ATOM 805 O HIS A 57 1.512 4.882 5.740 1.00 0.00 O ATOM 806 CB HIS A 57 4.125 6.002 5.553 1.00 0.00 C ATOM 807 CG HIS A 57 4.530 7.371 6.047 1.00 0.00 C ATOM 808 ND1 HIS A 57 5.472 8.148 5.394 1.00 0.00 N ATOM 809 CD2 HIS A 57 4.112 8.116 7.123 1.00 0.00 C ATOM 810 CE1 HIS A 57 5.584 9.304 6.073 1.00 0.00 C ATOM 811 NE2 HIS A 57 4.778 9.335 7.137 1.00 0.00 N ATOM 0 H HIS A 57 2.295 7.781 5.431 1.00 0.00 H new ATOM 0 HA HIS A 57 3.569 5.909 3.446 1.00 0.00 H new ATOM 0 HB2 HIS A 57 3.706 5.426 6.378 1.00 0.00 H new ATOM 0 HB3 HIS A 57 5.007 5.465 5.205 1.00 0.00 H new ATOM 0 HD1 HIS A 57 5.987 7.891 4.552 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.377 7.801 7.849 1.00 0.00 H new ATOM 0 HE1 HIS A 57 6.246 10.110 5.791 1.00 0.00 H new ATOM 819 N VAL A 58 1.547 4.384 3.598 1.00 0.00 N ATOM 820 CA VAL A 58 0.449 3.377 3.769 1.00 0.00 C ATOM 821 C VAL A 58 1.045 1.974 3.949 1.00 0.00 C ATOM 822 O VAL A 58 1.468 1.365 2.983 1.00 0.00 O ATOM 823 CB VAL A 58 -0.379 3.453 2.477 1.00 0.00 C ATOM 824 CG1 VAL A 58 -1.640 2.598 2.626 1.00 0.00 C ATOM 825 CG2 VAL A 58 -0.788 4.905 2.204 1.00 0.00 C ATOM 0 H VAL A 58 1.899 4.486 2.646 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.162 3.580 4.649 1.00 0.00 H new ATOM 0 HB VAL A 58 0.223 3.083 1.647 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.227 2.652 1.709 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.357 1.562 2.815 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.235 2.970 3.460 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.375 4.951 1.287 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.386 5.277 3.036 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.105 5.520 2.095 1.00 0.00 H new ATOM 835 N PRO A 59 1.070 1.505 5.187 1.00 0.00 N ATOM 836 CA PRO A 59 1.633 0.158 5.496 1.00 0.00 C ATOM 837 C PRO A 59 0.750 -0.902 4.868 1.00 0.00 C ATOM 838 O PRO A 59 -0.236 -1.340 5.431 1.00 0.00 O ATOM 839 CB PRO A 59 1.605 0.090 7.021 1.00 0.00 C ATOM 840 CG PRO A 59 0.542 1.059 7.419 1.00 0.00 C ATOM 841 CD PRO A 59 0.572 2.165 6.397 1.00 0.00 C ATOM 0 HA PRO A 59 2.638 -0.005 5.108 1.00 0.00 H new ATOM 0 HB2 PRO A 59 1.375 -0.917 7.369 1.00 0.00 H new ATOM 0 HB3 PRO A 59 2.570 0.362 7.448 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.435 0.577 7.441 1.00 0.00 H new ATOM 0 HG3 PRO A 59 0.727 1.449 8.420 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.418 2.593 6.241 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.226 2.980 6.707 1.00 0.00 H new ATOM 849 N VAL A 60 1.091 -1.275 3.677 1.00 0.00 N ATOM 850 CA VAL A 60 0.274 -2.274 2.940 1.00 0.00 C ATOM 851 C VAL A 60 0.979 -3.622 2.837 1.00 0.00 C ATOM 852 O VAL A 60 2.087 -3.716 2.348 1.00 0.00 O ATOM 853 CB VAL A 60 0.112 -1.682 1.541 1.00 0.00 C ATOM 854 CG1 VAL A 60 -0.601 -2.694 0.643 1.00 0.00 C ATOM 855 CG2 VAL A 60 -0.703 -0.388 1.619 1.00 0.00 C ATOM 0 H VAL A 60 1.908 -0.930 3.173 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.672 -2.457 3.449 1.00 0.00 H new ATOM 0 HB VAL A 60 1.094 -1.457 1.124 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.718 -2.275 -0.356 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.011 -3.609 0.586 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.583 -2.921 1.059 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.816 0.031 0.619 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.687 -0.602 2.036 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.187 0.329 2.257 1.00 0.00 H new ATOM 865 N TYR A 61 0.316 -4.674 3.245 1.00 0.00 N ATOM 866 CA TYR A 61 0.915 -6.029 3.105 1.00 0.00 C ATOM 867 C TYR A 61 0.869 -6.394 1.617 1.00 0.00 C ATOM 868 O TYR A 61 -0.190 -6.566 1.041 1.00 0.00 O ATOM 869 CB TYR A 61 0.036 -6.968 3.931 1.00 0.00 C ATOM 870 CG TYR A 61 0.865 -8.138 4.403 1.00 0.00 C ATOM 871 CD1 TYR A 61 1.317 -9.096 3.485 1.00 0.00 C ATOM 872 CD2 TYR A 61 1.183 -8.265 5.759 1.00 0.00 C ATOM 873 CE1 TYR A 61 2.084 -10.178 3.926 1.00 0.00 C ATOM 874 CE2 TYR A 61 1.949 -9.346 6.200 1.00 0.00 C ATOM 875 CZ TYR A 61 2.399 -10.306 5.284 1.00 0.00 C ATOM 876 OH TYR A 61 3.157 -11.374 5.719 1.00 0.00 O ATOM 0 H TYR A 61 -0.612 -4.650 3.668 1.00 0.00 H new ATOM 0 HA TYR A 61 1.947 -6.089 3.450 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.383 -6.436 4.785 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.804 -7.320 3.332 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.073 -8.998 2.438 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.836 -7.526 6.466 1.00 0.00 H new ATOM 0 HE1 TYR A 61 2.434 -10.916 3.219 1.00 0.00 H new ATOM 0 HE2 TYR A 61 2.195 -9.442 7.247 1.00 0.00 H new ATOM 0 HH TYR A 61 3.285 -11.311 6.689 1.00 0.00 H new ATOM 886 N ILE A 62 2.006 -6.452 0.987 1.00 0.00 N ATOM 887 CA ILE A 62 2.059 -6.737 -0.481 1.00 0.00 C ATOM 888 C ILE A 62 1.506 -8.117 -0.835 1.00 0.00 C ATOM 889 O ILE A 62 0.626 -8.234 -1.667 1.00 0.00 O ATOM 890 CB ILE A 62 3.544 -6.633 -0.835 1.00 0.00 C ATOM 891 CG1 ILE A 62 3.902 -5.174 -1.088 1.00 0.00 C ATOM 892 CG2 ILE A 62 3.853 -7.444 -2.099 1.00 0.00 C ATOM 893 CD1 ILE A 62 3.787 -4.364 0.197 1.00 0.00 C ATOM 0 H ILE A 62 2.915 -6.313 1.428 1.00 0.00 H new ATOM 0 HA ILE A 62 1.438 -6.039 -1.042 1.00 0.00 H new ATOM 0 HB ILE A 62 4.129 -7.028 -0.004 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.917 -5.105 -1.478 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.240 -4.758 -1.847 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.914 -7.359 -2.336 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.602 -8.491 -1.930 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.263 -7.060 -2.931 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.047 -3.325 -0.004 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.764 -4.417 0.570 1.00 0.00 H new ATOM 0 HD13 ILE A 62 4.468 -4.770 0.945 1.00 0.00 H new ATOM 905 N THR A 63 2.050 -9.157 -0.256 1.00 0.00 N ATOM 906 CA THR A 63 1.609 -10.545 -0.594 1.00 0.00 C ATOM 907 C THR A 63 2.057 -10.846 -2.029 1.00 0.00 C ATOM 908 O THR A 63 2.381 -9.946 -2.782 1.00 0.00 O ATOM 909 CB THR A 63 0.074 -10.570 -0.465 1.00 0.00 C ATOM 910 OG1 THR A 63 -0.325 -9.831 0.684 1.00 0.00 O ATOM 911 CG2 THR A 63 -0.402 -12.017 -0.323 1.00 0.00 C ATOM 0 H THR A 63 2.789 -9.103 0.445 1.00 0.00 H new ATOM 0 HA THR A 63 2.040 -11.299 0.065 1.00 0.00 H new ATOM 0 HB THR A 63 -0.368 -10.122 -1.355 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.302 -9.848 0.761 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.488 -12.035 -0.232 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.102 -12.587 -1.203 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.045 -12.461 0.567 1.00 0.00 H new ATOM 919 N GLU A 64 2.098 -12.088 -2.422 1.00 0.00 N ATOM 920 CA GLU A 64 2.545 -12.399 -3.812 1.00 0.00 C ATOM 921 C GLU A 64 1.392 -12.135 -4.791 1.00 0.00 C ATOM 922 O GLU A 64 0.898 -13.038 -5.443 1.00 0.00 O ATOM 923 CB GLU A 64 2.928 -13.883 -3.795 1.00 0.00 C ATOM 924 CG GLU A 64 4.121 -14.114 -4.729 1.00 0.00 C ATOM 925 CD GLU A 64 3.631 -14.225 -6.175 1.00 0.00 C ATOM 926 OE1 GLU A 64 3.185 -15.297 -6.549 1.00 0.00 O ATOM 927 OE2 GLU A 64 3.711 -13.236 -6.884 1.00 0.00 O ATOM 0 H GLU A 64 1.845 -12.894 -1.850 1.00 0.00 H new ATOM 0 HA GLU A 64 3.385 -11.782 -4.132 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.181 -14.193 -2.781 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.081 -14.492 -4.112 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.831 -13.292 -4.638 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.648 -15.024 -4.443 1.00 0.00 H new ATOM 934 N ASN A 65 0.948 -10.902 -4.886 1.00 0.00 N ATOM 935 CA ASN A 65 -0.187 -10.583 -5.808 1.00 0.00 C ATOM 936 C ASN A 65 -0.362 -9.069 -6.015 1.00 0.00 C ATOM 937 O ASN A 65 -0.777 -8.640 -7.074 1.00 0.00 O ATOM 938 CB ASN A 65 -1.427 -11.165 -5.123 1.00 0.00 C ATOM 939 CG ASN A 65 -2.591 -11.211 -6.119 1.00 0.00 C ATOM 940 OD1 ASN A 65 -2.736 -12.164 -6.857 1.00 0.00 O ATOM 941 ND2 ASN A 65 -3.431 -10.212 -6.170 1.00 0.00 N ATOM 0 H ASN A 65 1.322 -10.108 -4.367 1.00 0.00 H new ATOM 0 HA ASN A 65 -0.011 -11.001 -6.799 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.213 -12.167 -4.752 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.697 -10.556 -4.260 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -4.209 -10.233 -6.830 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.309 -9.411 -5.550 1.00 0.00 H new ATOM 948 N MET A 66 -0.077 -8.253 -5.023 1.00 0.00 N ATOM 949 CA MET A 66 -0.270 -6.778 -5.209 1.00 0.00 C ATOM 950 C MET A 66 1.049 -6.068 -5.568 1.00 0.00 C ATOM 951 O MET A 66 1.108 -4.858 -5.603 1.00 0.00 O ATOM 952 CB MET A 66 -0.801 -6.288 -3.865 1.00 0.00 C ATOM 953 CG MET A 66 -2.163 -6.930 -3.580 1.00 0.00 C ATOM 954 SD MET A 66 -2.388 -7.099 -1.792 1.00 0.00 S ATOM 955 CE MET A 66 -4.130 -6.613 -1.734 1.00 0.00 C ATOM 0 H MET A 66 0.274 -8.539 -4.109 1.00 0.00 H new ATOM 0 HA MET A 66 -0.950 -6.562 -6.033 1.00 0.00 H new ATOM 0 HB2 MET A 66 -0.097 -6.540 -3.072 1.00 0.00 H new ATOM 0 HB3 MET A 66 -0.895 -5.202 -3.875 1.00 0.00 H new ATOM 0 HG2 MET A 66 -2.961 -6.318 -4.001 1.00 0.00 H new ATOM 0 HG3 MET A 66 -2.224 -7.907 -4.059 1.00 0.00 H new ATOM 0 HE1 MET A 66 -4.483 -6.647 -0.703 1.00 0.00 H new ATOM 0 HE2 MET A 66 -4.238 -5.600 -2.121 1.00 0.00 H new ATOM 0 HE3 MET A 66 -4.720 -7.299 -2.342 1.00 0.00 H new ATOM 965 N VAL A 67 2.105 -6.799 -5.834 1.00 0.00 N ATOM 966 CA VAL A 67 3.411 -6.140 -6.177 1.00 0.00 C ATOM 967 C VAL A 67 3.563 -5.902 -7.690 1.00 0.00 C ATOM 968 O VAL A 67 2.889 -6.508 -8.502 1.00 0.00 O ATOM 969 CB VAL A 67 4.492 -7.114 -5.691 1.00 0.00 C ATOM 970 CG1 VAL A 67 4.339 -8.466 -6.399 1.00 0.00 C ATOM 971 CG2 VAL A 67 5.872 -6.536 -6.010 1.00 0.00 C ATOM 0 H VAL A 67 2.122 -7.819 -5.829 1.00 0.00 H new ATOM 0 HA VAL A 67 3.481 -5.158 -5.709 1.00 0.00 H new ATOM 0 HB VAL A 67 4.386 -7.257 -4.616 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.111 -9.150 -6.047 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.356 -8.883 -6.178 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.441 -8.327 -7.475 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.643 -7.225 -5.666 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.967 -6.393 -7.086 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.991 -5.577 -5.505 1.00 0.00 H new ATOM 981 N GLY A 68 4.481 -5.033 -8.061 1.00 0.00 N ATOM 982 CA GLY A 68 4.738 -4.752 -9.505 1.00 0.00 C ATOM 983 C GLY A 68 4.190 -3.381 -9.904 1.00 0.00 C ATOM 984 O GLY A 68 4.553 -2.850 -10.937 1.00 0.00 O ATOM 0 H GLY A 68 5.066 -4.504 -7.414 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.810 -4.790 -9.701 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.274 -5.525 -10.118 1.00 0.00 H new ATOM 988 N HIS A 69 3.320 -2.803 -9.116 1.00 0.00 N ATOM 989 CA HIS A 69 2.762 -1.472 -9.487 1.00 0.00 C ATOM 990 C HIS A 69 3.236 -0.392 -8.506 1.00 0.00 C ATOM 991 O HIS A 69 4.239 0.254 -8.729 1.00 0.00 O ATOM 992 CB HIS A 69 1.237 -1.646 -9.432 1.00 0.00 C ATOM 993 CG HIS A 69 0.795 -2.575 -10.533 1.00 0.00 C ATOM 994 ND1 HIS A 69 -0.179 -2.221 -11.453 1.00 0.00 N ATOM 995 CD2 HIS A 69 1.186 -3.849 -10.875 1.00 0.00 C ATOM 996 CE1 HIS A 69 -0.340 -3.258 -12.295 1.00 0.00 C ATOM 997 NE2 HIS A 69 0.468 -4.276 -11.988 1.00 0.00 N ATOM 0 H HIS A 69 2.975 -3.193 -8.239 1.00 0.00 H new ATOM 0 HA HIS A 69 3.093 -1.149 -10.474 1.00 0.00 H new ATOM 0 HB2 HIS A 69 0.941 -2.048 -8.463 1.00 0.00 H new ATOM 0 HB3 HIS A 69 0.746 -0.679 -9.539 1.00 0.00 H new ATOM 0 HD2 HIS A 69 1.936 -4.429 -10.358 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -1.038 -3.266 -13.119 1.00 0.00 H new ATOM 0 HE2 HIS A 69 0.543 -5.174 -12.467 1.00 0.00 H new ATOM 1005 N LYS A 70 2.511 -0.193 -7.436 1.00 0.00 N ATOM 1006 CA LYS A 70 2.884 0.841 -6.410 1.00 0.00 C ATOM 1007 C LYS A 70 1.806 0.879 -5.326 1.00 0.00 C ATOM 1008 O LYS A 70 2.066 1.083 -4.155 1.00 0.00 O ATOM 1009 CB LYS A 70 2.959 2.196 -7.140 1.00 0.00 C ATOM 1010 CG LYS A 70 1.850 2.300 -8.190 1.00 0.00 C ATOM 1011 CD LYS A 70 0.631 3.011 -7.596 1.00 0.00 C ATOM 1012 CE LYS A 70 -0.033 3.883 -8.667 1.00 0.00 C ATOM 1013 NZ LYS A 70 -1.284 3.160 -9.038 1.00 0.00 N ATOM 0 H LYS A 70 1.659 -0.711 -7.221 1.00 0.00 H new ATOM 0 HA LYS A 70 3.839 0.612 -5.938 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.864 3.009 -6.421 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.932 2.305 -7.618 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.212 2.847 -9.060 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.569 1.305 -8.534 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.081 2.277 -7.218 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.934 3.627 -6.749 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -0.253 4.879 -8.283 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.619 4.011 -9.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.758 3.663 -9.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.049 2.194 -9.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.918 3.119 -8.215 1.00 0.00 H new ATOM 1027 N LEU A 71 0.593 0.680 -5.760 1.00 0.00 N ATOM 1028 CA LEU A 71 -0.607 0.687 -4.858 1.00 0.00 C ATOM 1029 C LEU A 71 -1.906 0.390 -5.658 1.00 0.00 C ATOM 1030 O LEU A 71 -2.930 0.085 -5.077 1.00 0.00 O ATOM 1031 CB LEU A 71 -0.653 2.096 -4.232 1.00 0.00 C ATOM 1032 CG LEU A 71 -1.439 3.069 -5.124 1.00 0.00 C ATOM 1033 CD1 LEU A 71 -2.888 3.163 -4.637 1.00 0.00 C ATOM 1034 CD2 LEU A 71 -0.793 4.456 -5.057 1.00 0.00 C ATOM 0 H LEU A 71 0.370 0.506 -6.740 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.536 -0.086 -4.093 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.116 2.045 -3.247 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.362 2.467 -4.088 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.425 2.705 -6.151 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.441 3.854 -5.273 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.352 2.178 -4.682 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.904 3.524 -3.609 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.350 5.148 -5.689 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.807 4.814 -4.028 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.238 4.395 -5.406 1.00 0.00 H new ATOM 1046 N GLY A 72 -1.875 0.473 -6.982 1.00 0.00 N ATOM 1047 CA GLY A 72 -3.100 0.194 -7.797 1.00 0.00 C ATOM 1048 C GLY A 72 -3.408 -1.310 -7.797 1.00 0.00 C ATOM 1049 O GLY A 72 -4.498 -1.723 -8.138 1.00 0.00 O ATOM 0 H GLY A 72 -1.048 0.723 -7.524 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.948 0.746 -7.392 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.952 0.542 -8.819 1.00 0.00 H new ATOM 1053 N GLU A 73 -2.468 -2.125 -7.387 1.00 0.00 N ATOM 1054 CA GLU A 73 -2.711 -3.600 -7.325 1.00 0.00 C ATOM 1055 C GLU A 73 -3.470 -3.917 -6.039 1.00 0.00 C ATOM 1056 O GLU A 73 -4.088 -4.956 -5.901 1.00 0.00 O ATOM 1057 CB GLU A 73 -1.324 -4.237 -7.282 1.00 0.00 C ATOM 1058 CG GLU A 73 -0.795 -4.417 -8.702 1.00 0.00 C ATOM 1059 CD GLU A 73 -0.960 -5.875 -9.133 1.00 0.00 C ATOM 1060 OE1 GLU A 73 -2.053 -6.233 -9.540 1.00 0.00 O ATOM 1061 OE2 GLU A 73 0.010 -6.610 -9.048 1.00 0.00 O ATOM 0 H GLU A 73 -1.537 -1.830 -7.091 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.295 -3.967 -8.169 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.643 -3.610 -6.707 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.372 -5.202 -6.777 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.334 -3.762 -9.387 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.256 -4.131 -8.748 1.00 0.00 H new