USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 532 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 57 SER OG : rot -76:sc= 0.649 USER MOD Set 1.2: A 59 MET CE :methyl -168:sc=-0.00631 (180deg=-0.00765) USER MOD Set 2.1: A 40 MET CE :methyl -111:sc= -2.45! (180deg=-7.46!) USER MOD Set 2.2: A 47 THR OG1 : rot -150:sc= -0.916 USER MOD Set 3.1: A 23 ASN : amide:sc= -4.38! C(o=-6.7!,f=-13!) USER MOD Set 3.2: A 24 GLN :FLIP amide:sc= -2.31 F(o=-9.2!,f=-6.7) USER MOD Single : A 10 HIS :FLIP no HD1:sc= -2.88 F(o=-3.7!,f=-2.9) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -41:sc= 0.582 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc=-0.00539 X(o=-0.0054,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 139:sc= -1.18 (180deg=-3.1!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 85:sc= 1.07 USER MOD Single : A 34 GLN : amide:sc= -0.0128 X(o=-0.013,f=0) USER MOD Single : A 39 ASN : amide:sc= -2.6 K(o=-2.6,f=-3.9!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.0157 X(o=-0.016,f=-0.034) USER MOD Single : A 62 ASN : amide:sc= -0.583 K(o=-0.58,f=-5.7!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -3.437 -1.091 -6.875 1.00 0.00 N ATOM 60 CA GLY A 7 -2.245 -0.644 -7.575 1.00 0.00 C ATOM 61 C GLY A 7 -1.096 -0.394 -6.596 1.00 0.00 C ATOM 62 O GLY A 7 -0.763 0.753 -6.303 1.00 0.00 O ATOM 0 HA2 GLY A 7 -1.947 -1.394 -8.308 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.464 0.271 -8.126 1.00 0.00 H new ATOM 66 N LEU A 8 -0.521 -1.488 -6.117 1.00 0.00 N ATOM 67 CA LEU A 8 0.584 -1.402 -5.177 1.00 0.00 C ATOM 68 C LEU A 8 1.777 -2.185 -5.728 1.00 0.00 C ATOM 69 O LEU A 8 2.891 -1.666 -5.784 1.00 0.00 O ATOM 70 CB LEU A 8 0.139 -1.857 -3.785 1.00 0.00 C ATOM 71 CG LEU A 8 -0.474 -0.777 -2.892 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.832 -0.324 -3.432 1.00 0.00 C ATOM 73 CD2 LEU A 8 -0.565 -1.253 -1.440 1.00 0.00 C ATOM 0 H LEU A 8 -0.800 -2.438 -6.362 1.00 0.00 H new ATOM 0 HA LEU A 8 0.907 -0.367 -5.061 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.589 -2.660 -3.902 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.001 -2.281 -3.270 1.00 0.00 H new ATOM 0 HG LEU A 8 0.184 0.092 -2.906 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.246 0.444 -2.778 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.707 0.082 -4.436 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.512 -1.175 -3.467 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.004 -0.467 -0.826 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.189 -2.145 -1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.433 -1.487 -1.070 1.00 0.00 H new ATOM 85 N ASP A 9 1.504 -3.421 -6.119 1.00 0.00 N ATOM 86 CA ASP A 9 2.542 -4.280 -6.663 1.00 0.00 C ATOM 87 C ASP A 9 3.341 -3.506 -7.713 1.00 0.00 C ATOM 88 O ASP A 9 4.562 -3.636 -7.790 1.00 0.00 O ATOM 89 CB ASP A 9 1.938 -5.511 -7.342 1.00 0.00 C ATOM 90 CG ASP A 9 1.028 -5.211 -8.534 1.00 0.00 C ATOM 91 OD1 ASP A 9 -0.102 -4.741 -8.280 1.00 0.00 O ATOM 92 OD2 ASP A 9 1.482 -5.459 -9.672 1.00 0.00 O ATOM 0 H ASP A 9 0.579 -3.848 -6.070 1.00 0.00 H new ATOM 0 HA ASP A 9 3.181 -4.599 -5.840 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.749 -6.157 -7.677 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.368 -6.073 -6.602 1.00 0.00 H new ATOM 97 N HIS A 10 2.620 -2.716 -8.495 1.00 0.00 N ATOM 98 CA HIS A 10 3.246 -1.921 -9.537 1.00 0.00 C ATOM 99 C HIS A 10 4.029 -0.769 -8.903 1.00 0.00 C ATOM 100 O HIS A 10 5.117 -0.426 -9.362 1.00 0.00 O ATOM 101 CB HIS A 10 2.208 -1.443 -10.555 1.00 0.00 C ATOM 102 CG HIS A 10 1.511 -0.161 -10.165 1.00 0.00 C ATOM 103 ND1 HIS A 10 1.641 1.107 -10.652 1.00 0.00 N flip ATOM 104 CD2 HIS A 10 0.557 -0.100 -9.165 1.00 0.00 C flip ATOM 105 CE1 HIS A 10 0.810 1.899 -9.985 1.00 0.00 C flip ATOM 106 NE2 HIS A 10 0.138 1.152 -9.063 1.00 0.00 N flip ATOM 0 H HIS A 10 1.608 -2.610 -8.428 1.00 0.00 H new ATOM 0 HA HIS A 10 3.956 -2.536 -10.091 1.00 0.00 H new ATOM 0 HB2 HIS A 10 2.698 -1.300 -11.518 1.00 0.00 H new ATOM 0 HB3 HIS A 10 1.460 -2.224 -10.691 1.00 0.00 H new ATOM 0 HD2 HIS A 10 0.213 -0.932 -8.569 1.00 0.00 H new ATOM 0 HE1 HIS A 10 0.687 2.960 -10.146 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -0.565 1.497 -8.409 1.00 0.00 H new ATOM 114 N ILE A 11 3.443 -0.203 -7.858 1.00 0.00 N ATOM 115 CA ILE A 11 4.071 0.904 -7.156 1.00 0.00 C ATOM 116 C ILE A 11 5.466 0.480 -6.690 1.00 0.00 C ATOM 117 O ILE A 11 5.732 -0.708 -6.517 1.00 0.00 O ATOM 118 CB ILE A 11 3.170 1.402 -6.025 1.00 0.00 C ATOM 119 CG1 ILE A 11 2.045 2.285 -6.569 1.00 0.00 C ATOM 120 CG2 ILE A 11 3.987 2.115 -4.946 1.00 0.00 C ATOM 121 CD1 ILE A 11 1.439 3.147 -5.460 1.00 0.00 C ATOM 0 H ILE A 11 2.540 -0.490 -7.480 1.00 0.00 H new ATOM 0 HA ILE A 11 4.202 1.754 -7.825 1.00 0.00 H new ATOM 0 HB ILE A 11 2.702 0.537 -5.555 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.432 2.925 -7.362 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.270 1.660 -7.013 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.322 2.459 -4.154 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.721 1.425 -4.530 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.501 2.970 -5.385 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.642 3.765 -5.874 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.032 2.503 -4.680 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.211 3.788 -5.034 1.00 0.00 H new ATOM 133 N THR A 12 6.319 1.476 -6.501 1.00 0.00 N ATOM 134 CA THR A 12 7.680 1.221 -6.058 1.00 0.00 C ATOM 135 C THR A 12 7.936 1.895 -4.709 1.00 0.00 C ATOM 136 O THR A 12 7.363 2.943 -4.415 1.00 0.00 O ATOM 137 CB THR A 12 8.631 1.689 -7.161 1.00 0.00 C ATOM 138 OG1 THR A 12 7.975 1.311 -8.369 1.00 0.00 O ATOM 139 CG2 THR A 12 9.938 0.894 -7.183 1.00 0.00 C ATOM 0 H THR A 12 6.095 2.460 -6.646 1.00 0.00 H new ATOM 0 HA THR A 12 7.850 0.157 -5.892 1.00 0.00 H new ATOM 0 HB THR A 12 8.852 2.748 -7.024 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.523 1.579 -9.136 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.577 1.266 -7.984 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.450 1.009 -6.228 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.720 -0.160 -7.353 1.00 0.00 H new ATOM 147 N VAL A 13 8.798 1.265 -3.924 1.00 0.00 N ATOM 148 CA VAL A 13 9.138 1.791 -2.612 1.00 0.00 C ATOM 149 C VAL A 13 10.628 2.134 -2.575 1.00 0.00 C ATOM 150 O VAL A 13 11.466 1.324 -2.970 1.00 0.00 O ATOM 151 CB VAL A 13 8.727 0.794 -1.527 1.00 0.00 C ATOM 152 CG1 VAL A 13 9.015 1.353 -0.132 1.00 0.00 C ATOM 153 CG2 VAL A 13 7.254 0.405 -1.669 1.00 0.00 C ATOM 0 H VAL A 13 9.271 0.396 -4.171 1.00 0.00 H new ATOM 0 HA VAL A 13 8.588 2.711 -2.415 1.00 0.00 H new ATOM 0 HB VAL A 13 9.325 -0.108 -1.657 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.714 0.625 0.621 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.081 1.556 -0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.455 2.277 0.012 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.988 -0.305 -0.886 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.632 1.296 -1.579 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.091 -0.054 -2.644 1.00 0.00 H new ATOM 163 N VAL A 14 10.914 3.337 -2.098 1.00 0.00 N ATOM 164 CA VAL A 14 12.289 3.797 -2.005 1.00 0.00 C ATOM 165 C VAL A 14 12.923 3.242 -0.727 1.00 0.00 C ATOM 166 O VAL A 14 12.510 3.593 0.377 1.00 0.00 O ATOM 167 CB VAL A 14 12.336 5.325 -2.080 1.00 0.00 C ATOM 168 CG1 VAL A 14 13.666 5.859 -1.547 1.00 0.00 C ATOM 169 CG2 VAL A 14 12.082 5.811 -3.509 1.00 0.00 C ATOM 0 H VAL A 14 10.217 4.007 -1.772 1.00 0.00 H new ATOM 0 HA VAL A 14 12.874 3.425 -2.846 1.00 0.00 H new ATOM 0 HB VAL A 14 11.540 5.717 -1.446 1.00 0.00 H new ATOM 0 HG11 VAL A 14 13.673 6.947 -1.612 1.00 0.00 H new ATOM 0 HG12 VAL A 14 13.789 5.556 -0.507 1.00 0.00 H new ATOM 0 HG13 VAL A 14 14.485 5.455 -2.142 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.121 6.900 -3.535 1.00 0.00 H new ATOM 0 HG22 VAL A 14 12.845 5.405 -4.173 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.099 5.475 -3.838 1.00 0.00 H new ATOM 179 N THR A 15 13.915 2.385 -0.921 1.00 0.00 N ATOM 180 CA THR A 15 14.609 1.779 0.202 1.00 0.00 C ATOM 181 C THR A 15 15.995 2.403 0.373 1.00 0.00 C ATOM 182 O THR A 15 16.513 3.035 -0.547 1.00 0.00 O ATOM 183 CB THR A 15 14.648 0.266 -0.027 1.00 0.00 C ATOM 184 OG1 THR A 15 15.662 0.091 -1.014 1.00 0.00 O ATOM 185 CG2 THR A 15 13.378 -0.257 -0.701 1.00 0.00 C ATOM 0 H THR A 15 14.254 2.096 -1.839 1.00 0.00 H new ATOM 0 HA THR A 15 14.085 1.968 1.139 1.00 0.00 H new ATOM 0 HB THR A 15 14.788 -0.242 0.927 1.00 0.00 H new ATOM 0 HG1 THR A 15 15.586 0.797 -1.689 1.00 0.00 H new ATOM 0 HG21 THR A 15 13.458 -1.335 -0.840 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.515 -0.035 -0.073 1.00 0.00 H new ATOM 0 HG23 THR A 15 13.255 0.226 -1.670 1.00 0.00 H new ATOM 193 N ALA A 16 16.557 2.205 1.556 1.00 0.00 N ATOM 194 CA ALA A 16 17.873 2.741 1.859 1.00 0.00 C ATOM 195 C ALA A 16 18.937 1.899 1.153 1.00 0.00 C ATOM 196 O ALA A 16 19.771 1.273 1.804 1.00 0.00 O ATOM 197 CB ALA A 16 18.072 2.780 3.376 1.00 0.00 C ATOM 0 H ALA A 16 16.125 1.680 2.317 1.00 0.00 H new ATOM 0 HA ALA A 16 17.965 3.763 1.492 1.00 0.00 H new ATOM 0 HB1 ALA A 16 19.059 3.182 3.603 1.00 0.00 H new ATOM 0 HB2 ALA A 16 17.309 3.415 3.827 1.00 0.00 H new ATOM 0 HB3 ALA A 16 17.989 1.771 3.780 1.00 0.00 H new ATOM 203 N ASP A 17 18.873 1.912 -0.171 1.00 0.00 N ATOM 204 CA ASP A 17 19.821 1.157 -0.973 1.00 0.00 C ATOM 205 C ASP A 17 19.451 1.290 -2.452 1.00 0.00 C ATOM 206 O ASP A 17 20.328 1.354 -3.311 1.00 0.00 O ATOM 207 CB ASP A 17 19.789 -0.329 -0.610 1.00 0.00 C ATOM 208 CG ASP A 17 21.101 -1.080 -0.844 1.00 0.00 C ATOM 209 OD1 ASP A 17 21.344 -1.448 -2.013 1.00 0.00 O ATOM 210 OD2 ASP A 17 21.833 -1.269 0.152 1.00 0.00 O ATOM 0 H ASP A 17 18.180 2.433 -0.708 1.00 0.00 H new ATOM 0 HA ASP A 17 20.817 1.554 -0.780 1.00 0.00 H new ATOM 0 HB2 ASP A 17 19.515 -0.425 0.441 1.00 0.00 H new ATOM 0 HB3 ASP A 17 19.003 -0.812 -1.190 1.00 0.00 H new ATOM 215 N GLY A 18 18.150 1.328 -2.702 1.00 0.00 N ATOM 216 CA GLY A 18 17.654 1.453 -4.062 1.00 0.00 C ATOM 217 C GLY A 18 16.125 1.496 -4.085 1.00 0.00 C ATOM 218 O GLY A 18 15.501 2.016 -3.161 1.00 0.00 O ATOM 0 H GLY A 18 17.425 1.274 -1.986 1.00 0.00 H new ATOM 0 HA2 GLY A 18 18.054 2.359 -4.517 1.00 0.00 H new ATOM 0 HA3 GLY A 18 18.007 0.613 -4.660 1.00 0.00 H new ATOM 222 N LYS A 19 15.565 0.944 -5.152 1.00 0.00 N ATOM 223 CA LYS A 19 14.121 0.913 -5.307 1.00 0.00 C ATOM 224 C LYS A 19 13.662 -0.536 -5.484 1.00 0.00 C ATOM 225 O LYS A 19 14.387 -1.356 -6.045 1.00 0.00 O ATOM 226 CB LYS A 19 13.685 1.839 -6.444 1.00 0.00 C ATOM 227 CG LYS A 19 12.666 2.869 -5.952 1.00 0.00 C ATOM 228 CD LYS A 19 11.819 3.400 -7.111 1.00 0.00 C ATOM 229 CE LYS A 19 12.128 4.873 -7.385 1.00 0.00 C ATOM 230 NZ LYS A 19 12.879 5.018 -8.652 1.00 0.00 N ATOM 0 H LYS A 19 16.086 0.515 -5.917 1.00 0.00 H new ATOM 0 HA LYS A 19 13.633 1.295 -4.410 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.555 2.351 -6.855 1.00 0.00 H new ATOM 0 HB3 LYS A 19 13.251 1.250 -7.252 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.018 2.415 -5.202 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.185 3.696 -5.467 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.013 2.811 -8.008 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.761 3.284 -6.876 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.200 5.442 -7.439 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.709 5.288 -6.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 13.081 6.024 -8.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 13.774 4.492 -8.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.311 4.640 -9.437 1.00 0.00 H new ATOM 244 N VAL A 20 12.461 -0.807 -4.995 1.00 0.00 N ATOM 245 CA VAL A 20 11.897 -2.142 -5.093 1.00 0.00 C ATOM 246 C VAL A 20 10.378 -2.040 -5.246 1.00 0.00 C ATOM 247 O VAL A 20 9.803 -0.968 -5.065 1.00 0.00 O ATOM 248 CB VAL A 20 12.321 -2.979 -3.883 1.00 0.00 C ATOM 249 CG1 VAL A 20 13.844 -3.018 -3.750 1.00 0.00 C ATOM 250 CG2 VAL A 20 11.671 -2.455 -2.600 1.00 0.00 C ATOM 0 H VAL A 20 11.863 -0.124 -4.530 1.00 0.00 H new ATOM 0 HA VAL A 20 12.279 -2.654 -5.976 1.00 0.00 H new ATOM 0 HB VAL A 20 11.973 -4.000 -4.042 1.00 0.00 H new ATOM 0 HG11 VAL A 20 14.118 -3.619 -2.883 1.00 0.00 H new ATOM 0 HG12 VAL A 20 14.277 -3.459 -4.648 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.224 -2.004 -3.624 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.988 -3.067 -1.755 1.00 0.00 H new ATOM 0 HG22 VAL A 20 11.975 -1.421 -2.434 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.586 -2.503 -2.696 1.00 0.00 H new ATOM 260 N ALA A 21 9.772 -3.170 -5.578 1.00 0.00 N ATOM 261 CA ALA A 21 8.331 -3.222 -5.758 1.00 0.00 C ATOM 262 C ALA A 21 7.655 -3.354 -4.392 1.00 0.00 C ATOM 263 O ALA A 21 8.255 -3.860 -3.445 1.00 0.00 O ATOM 264 CB ALA A 21 7.974 -4.374 -6.699 1.00 0.00 C ATOM 0 H ALA A 21 10.253 -4.057 -5.727 1.00 0.00 H new ATOM 0 HA ALA A 21 7.969 -2.302 -6.218 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.893 -4.412 -6.833 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.454 -4.217 -7.665 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.320 -5.315 -6.270 1.00 0.00 H new ATOM 270 N LEU A 22 6.415 -2.889 -4.333 1.00 0.00 N ATOM 271 CA LEU A 22 5.652 -2.949 -3.099 1.00 0.00 C ATOM 272 C LEU A 22 5.346 -4.410 -2.764 1.00 0.00 C ATOM 273 O LEU A 22 4.883 -4.715 -1.666 1.00 0.00 O ATOM 274 CB LEU A 22 4.405 -2.066 -3.196 1.00 0.00 C ATOM 275 CG LEU A 22 4.188 -1.083 -2.045 1.00 0.00 C ATOM 276 CD1 LEU A 22 2.805 -0.436 -2.130 1.00 0.00 C ATOM 277 CD2 LEU A 22 4.421 -1.761 -0.693 1.00 0.00 C ATOM 0 H LEU A 22 5.921 -2.469 -5.120 1.00 0.00 H new ATOM 0 HA LEU A 22 6.235 -2.547 -2.271 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.456 -1.500 -4.126 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.530 -2.713 -3.265 1.00 0.00 H new ATOM 0 HG LEU A 22 4.924 -0.284 -2.136 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.677 0.259 -1.300 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.713 0.104 -3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.038 -1.209 -2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.260 -1.040 0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.725 -2.592 -0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.444 -2.135 -0.645 1.00 0.00 H new ATOM 289 N ASN A 23 5.617 -5.275 -3.730 1.00 0.00 N ATOM 290 CA ASN A 23 5.376 -6.696 -3.552 1.00 0.00 C ATOM 291 C ASN A 23 6.707 -7.406 -3.295 1.00 0.00 C ATOM 292 O ASN A 23 6.851 -8.591 -3.594 1.00 0.00 O ATOM 293 CB ASN A 23 4.747 -7.310 -4.804 1.00 0.00 C ATOM 294 CG ASN A 23 5.385 -6.742 -6.073 1.00 0.00 C ATOM 295 OD1 ASN A 23 5.248 -5.575 -6.399 1.00 0.00 O ATOM 296 ND2 ASN A 23 6.088 -7.631 -6.769 1.00 0.00 N ATOM 0 H ASN A 23 6.002 -5.019 -4.639 1.00 0.00 H new ATOM 0 HA ASN A 23 4.695 -6.819 -2.710 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.871 -8.393 -4.784 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.675 -7.112 -4.811 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.553 -7.350 -7.633 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.162 -8.593 -6.439 1.00 0.00 H new ATOM 303 N GLN A 24 7.647 -6.652 -2.744 1.00 0.00 N ATOM 304 CA GLN A 24 8.961 -7.194 -2.444 1.00 0.00 C ATOM 305 C GLN A 24 9.283 -7.015 -0.959 1.00 0.00 C ATOM 306 O GLN A 24 9.607 -7.981 -0.270 1.00 0.00 O ATOM 307 CB GLN A 24 10.035 -6.545 -3.320 1.00 0.00 C ATOM 308 CG GLN A 24 9.600 -6.512 -4.786 1.00 0.00 C ATOM 309 CD GLN A 24 9.466 -7.927 -5.351 1.00 0.00 C ATOM 310 OE1 GLN A 24 8.682 -8.010 -6.423 1.00 0.00 O flip ATOM 311 NE2 GLN A 24 10.036 -8.881 -4.847 1.00 0.00 N flip ATOM 0 H GLN A 24 7.524 -5.670 -2.498 1.00 0.00 H new ATOM 0 HA GLN A 24 8.952 -8.261 -2.668 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.229 -5.531 -2.972 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.969 -7.099 -3.226 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.647 -5.990 -4.874 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.327 -5.950 -5.372 1.00 0.00 H new ATOM 0 HE21 GLN A 24 10.624 -8.747 -4.024 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.925 -9.812 -5.249 1.00 0.00 H new ATOM 320 N ILE A 25 9.182 -5.773 -0.510 1.00 0.00 N ATOM 321 CA ILE A 25 9.458 -5.454 0.881 1.00 0.00 C ATOM 322 C ILE A 25 8.362 -6.055 1.764 1.00 0.00 C ATOM 323 O ILE A 25 8.593 -6.339 2.938 1.00 0.00 O ATOM 324 CB ILE A 25 9.634 -3.945 1.060 1.00 0.00 C ATOM 325 CG1 ILE A 25 8.318 -3.206 0.812 1.00 0.00 C ATOM 326 CG2 ILE A 25 10.765 -3.416 0.175 1.00 0.00 C ATOM 327 CD1 ILE A 25 8.496 -1.696 0.985 1.00 0.00 C ATOM 0 H ILE A 25 8.913 -4.975 -1.085 1.00 0.00 H new ATOM 0 HA ILE A 25 10.402 -5.900 1.195 1.00 0.00 H new ATOM 0 HB ILE A 25 9.919 -3.755 2.095 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.960 -3.421 -0.195 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.558 -3.568 1.504 1.00 0.00 H new ATOM 0 HG21 ILE A 25 10.869 -2.341 0.321 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.699 -3.911 0.443 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.534 -3.619 -0.871 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.546 -1.194 0.803 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.830 -1.483 2.000 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.239 -1.334 0.275 1.00 0.00 H new ATOM 339 N GLY A 26 7.194 -6.231 1.165 1.00 0.00 N ATOM 340 CA GLY A 26 6.062 -6.793 1.882 1.00 0.00 C ATOM 341 C GLY A 26 5.169 -7.609 0.945 1.00 0.00 C ATOM 342 O GLY A 26 5.244 -7.462 -0.274 1.00 0.00 O ATOM 0 H GLY A 26 7.007 -5.994 0.191 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.419 -7.427 2.693 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.481 -5.991 2.337 1.00 0.00 H new ATOM 346 N GLN A 27 4.344 -8.451 1.550 1.00 0.00 N ATOM 347 CA GLN A 27 3.438 -9.290 0.785 1.00 0.00 C ATOM 348 C GLN A 27 2.031 -8.689 0.784 1.00 0.00 C ATOM 349 O GLN A 27 1.463 -8.427 1.844 1.00 0.00 O ATOM 350 CB GLN A 27 3.423 -10.719 1.331 1.00 0.00 C ATOM 351 CG GLN A 27 3.982 -11.704 0.302 1.00 0.00 C ATOM 352 CD GLN A 27 4.005 -13.128 0.863 1.00 0.00 C ATOM 353 OE1 GLN A 27 4.725 -13.444 1.795 1.00 0.00 O ATOM 354 NE2 GLN A 27 3.180 -13.967 0.243 1.00 0.00 N ATOM 0 H GLN A 27 4.284 -8.570 2.561 1.00 0.00 H new ATOM 0 HA GLN A 27 3.794 -9.332 -0.244 1.00 0.00 H new ATOM 0 HB2 GLN A 27 4.013 -10.769 2.246 1.00 0.00 H new ATOM 0 HB3 GLN A 27 2.403 -11.001 1.594 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.374 -11.675 -0.602 1.00 0.00 H new ATOM 0 HG3 GLN A 27 4.991 -11.405 0.017 1.00 0.00 H new ATOM 0 HE21 GLN A 27 2.604 -13.637 -0.531 1.00 0.00 H new ATOM 0 HE22 GLN A 27 3.123 -14.941 0.542 1.00 0.00 H new ATOM 363 N ILE A 28 1.509 -8.487 -0.417 1.00 0.00 N ATOM 364 CA ILE A 28 0.179 -7.921 -0.569 1.00 0.00 C ATOM 365 C ILE A 28 -0.850 -9.053 -0.609 1.00 0.00 C ATOM 366 O ILE A 28 -0.700 -10.007 -1.370 1.00 0.00 O ATOM 367 CB ILE A 28 0.126 -6.999 -1.789 1.00 0.00 C ATOM 368 CG1 ILE A 28 1.003 -5.763 -1.581 1.00 0.00 C ATOM 369 CG2 ILE A 28 -1.317 -6.627 -2.133 1.00 0.00 C ATOM 370 CD1 ILE A 28 1.742 -5.391 -2.868 1.00 0.00 C ATOM 0 H ILE A 28 1.983 -8.705 -1.294 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.069 -7.294 0.287 1.00 0.00 H new ATOM 0 HB ILE A 28 0.531 -7.540 -2.644 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.386 -4.925 -1.257 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.724 -5.954 -0.786 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.326 -5.971 -3.004 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.883 -7.532 -2.354 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.772 -6.112 -1.287 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.358 -4.509 -2.692 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.377 -6.222 -3.176 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.018 -5.177 -3.654 1.00 0.00 H new ATOM 382 N SER A 29 -1.872 -8.909 0.222 1.00 0.00 N ATOM 383 CA SER A 29 -2.926 -9.906 0.292 1.00 0.00 C ATOM 384 C SER A 29 -4.272 -9.228 0.553 1.00 0.00 C ATOM 385 O SER A 29 -4.532 -8.762 1.662 1.00 0.00 O ATOM 386 CB SER A 29 -2.633 -10.941 1.380 1.00 0.00 C ATOM 387 OG SER A 29 -3.615 -11.973 1.414 1.00 0.00 O ATOM 0 H SER A 29 -1.992 -8.116 0.853 1.00 0.00 H new ATOM 0 HA SER A 29 -2.969 -10.426 -0.665 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.651 -11.381 1.207 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.594 -10.446 2.350 1.00 0.00 H new ATOM 0 HG SER A 29 -3.391 -12.614 2.120 1.00 0.00 H new ATOM 393 N MET A 30 -5.093 -9.195 -0.486 1.00 0.00 N ATOM 394 CA MET A 30 -6.406 -8.581 -0.383 1.00 0.00 C ATOM 395 C MET A 30 -7.370 -9.477 0.397 1.00 0.00 C ATOM 396 O MET A 30 -8.063 -10.308 -0.189 1.00 0.00 O ATOM 397 CB MET A 30 -6.964 -8.330 -1.785 1.00 0.00 C ATOM 398 CG MET A 30 -7.202 -6.837 -2.021 1.00 0.00 C ATOM 399 SD MET A 30 -8.931 -6.538 -2.347 1.00 0.00 S ATOM 400 CE MET A 30 -9.140 -4.976 -1.508 1.00 0.00 C ATOM 0 H MET A 30 -4.875 -9.583 -1.403 1.00 0.00 H new ATOM 0 HA MET A 30 -6.304 -7.636 0.151 1.00 0.00 H new ATOM 0 HB2 MET A 30 -6.268 -8.713 -2.531 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.899 -8.875 -1.911 1.00 0.00 H new ATOM 0 HG2 MET A 30 -6.884 -6.267 -1.148 1.00 0.00 H new ATOM 0 HG3 MET A 30 -6.600 -6.493 -2.862 1.00 0.00 H new ATOM 0 HE1 MET A 30 -9.766 -4.319 -2.112 1.00 0.00 H new ATOM 0 HE2 MET A 30 -9.616 -5.143 -0.542 1.00 0.00 H new ATOM 0 HE3 MET A 30 -8.166 -4.511 -1.357 1.00 0.00 H new ATOM 410 N LYS A 31 -7.384 -9.278 1.707 1.00 0.00 N ATOM 411 CA LYS A 31 -8.252 -10.058 2.573 1.00 0.00 C ATOM 412 C LYS A 31 -9.569 -9.306 2.779 1.00 0.00 C ATOM 413 O LYS A 31 -10.635 -9.918 2.835 1.00 0.00 O ATOM 414 CB LYS A 31 -7.533 -10.407 3.878 1.00 0.00 C ATOM 415 CG LYS A 31 -8.479 -11.110 4.854 1.00 0.00 C ATOM 416 CD LYS A 31 -8.474 -12.623 4.628 1.00 0.00 C ATOM 417 CE LYS A 31 -7.117 -13.228 4.993 1.00 0.00 C ATOM 418 NZ LYS A 31 -6.658 -14.151 3.930 1.00 0.00 N ATOM 0 H LYS A 31 -6.808 -8.588 2.190 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.498 -11.012 2.106 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.679 -11.051 3.666 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.142 -9.499 4.336 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.179 -10.891 5.879 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.490 -10.723 4.728 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.256 -13.087 5.229 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.704 -12.839 3.585 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.384 -12.434 5.134 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.194 -13.763 5.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.736 -14.553 4.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.350 -14.919 3.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.566 -13.631 3.034 1.00 0.00 H new ATOM 432 N SER A 32 -9.452 -7.991 2.886 1.00 0.00 N ATOM 433 CA SER A 32 -10.620 -7.150 3.084 1.00 0.00 C ATOM 434 C SER A 32 -11.285 -6.852 1.739 1.00 0.00 C ATOM 435 O SER A 32 -10.785 -7.259 0.692 1.00 0.00 O ATOM 436 CB SER A 32 -10.246 -5.846 3.791 1.00 0.00 C ATOM 437 OG SER A 32 -8.862 -5.800 4.130 1.00 0.00 O ATOM 0 H SER A 32 -8.566 -7.487 2.839 1.00 0.00 H new ATOM 0 HA SER A 32 -11.324 -7.687 3.719 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.490 -5.001 3.146 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.845 -5.740 4.696 1.00 0.00 H new ATOM 0 HG SER A 32 -8.347 -5.481 3.360 1.00 0.00 H new ATOM 443 N PRO A 33 -12.432 -6.126 1.813 1.00 0.00 N ATOM 444 CA PRO A 33 -13.171 -5.769 0.614 1.00 0.00 C ATOM 445 C PRO A 33 -12.468 -4.645 -0.149 1.00 0.00 C ATOM 446 O PRO A 33 -12.118 -4.807 -1.317 1.00 0.00 O ATOM 447 CB PRO A 33 -14.555 -5.377 1.106 1.00 0.00 C ATOM 448 CG PRO A 33 -14.402 -5.083 2.590 1.00 0.00 C ATOM 449 CD PRO A 33 -13.054 -5.626 3.036 1.00 0.00 C ATOM 0 HA PRO A 33 -13.235 -6.590 -0.100 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -14.927 -4.503 0.571 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -15.271 -6.181 0.939 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -14.462 -4.010 2.775 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -15.208 -5.549 3.157 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -12.447 -4.848 3.499 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -13.171 -6.420 3.774 1.00 0.00 H new ATOM 457 N GLN A 34 -12.281 -3.530 0.542 1.00 0.00 N ATOM 458 CA GLN A 34 -11.626 -2.379 -0.056 1.00 0.00 C ATOM 459 C GLN A 34 -10.448 -1.929 0.811 1.00 0.00 C ATOM 460 O GLN A 34 -10.253 -0.734 1.027 1.00 0.00 O ATOM 461 CB GLN A 34 -12.618 -1.234 -0.271 1.00 0.00 C ATOM 462 CG GLN A 34 -13.304 -1.352 -1.633 1.00 0.00 C ATOM 463 CD GLN A 34 -14.514 -0.420 -1.720 1.00 0.00 C ATOM 464 OE1 GLN A 34 -15.529 -0.617 -1.072 1.00 0.00 O ATOM 465 NE2 GLN A 34 -14.351 0.603 -2.554 1.00 0.00 N ATOM 0 H GLN A 34 -12.572 -3.399 1.511 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.242 -2.671 -1.033 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.368 -1.244 0.520 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.097 -0.279 -0.204 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -12.595 -1.108 -2.424 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -13.621 -2.382 -1.796 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -13.475 0.709 -3.066 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -15.102 1.282 -2.682 1.00 0.00 H new ATOM 474 N VAL A 35 -9.694 -2.910 1.284 1.00 0.00 N ATOM 475 CA VAL A 35 -8.541 -2.630 2.123 1.00 0.00 C ATOM 476 C VAL A 35 -7.470 -3.696 1.883 1.00 0.00 C ATOM 477 O VAL A 35 -7.715 -4.884 2.089 1.00 0.00 O ATOM 478 CB VAL A 35 -8.971 -2.533 3.588 1.00 0.00 C ATOM 479 CG1 VAL A 35 -7.754 -2.434 4.511 1.00 0.00 C ATOM 480 CG2 VAL A 35 -9.920 -1.353 3.804 1.00 0.00 C ATOM 0 H VAL A 35 -9.859 -3.900 1.102 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.104 -1.666 1.862 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.510 -3.446 3.840 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.087 -2.366 5.547 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.131 -3.320 4.388 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.176 -1.545 4.257 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.210 -1.307 4.854 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.418 -0.427 3.525 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.809 -1.483 3.187 1.00 0.00 H new ATOM 490 N ILE A 36 -6.306 -3.234 1.451 1.00 0.00 N ATOM 491 CA ILE A 36 -5.198 -4.133 1.180 1.00 0.00 C ATOM 492 C ILE A 36 -4.337 -4.267 2.438 1.00 0.00 C ATOM 493 O ILE A 36 -4.148 -3.297 3.171 1.00 0.00 O ATOM 494 CB ILE A 36 -4.418 -3.668 -0.051 1.00 0.00 C ATOM 495 CG1 ILE A 36 -5.208 -3.938 -1.334 1.00 0.00 C ATOM 496 CG2 ILE A 36 -3.027 -4.302 -0.091 1.00 0.00 C ATOM 497 CD1 ILE A 36 -5.361 -2.660 -2.162 1.00 0.00 C ATOM 0 H ILE A 36 -6.106 -2.248 1.282 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.567 -5.129 0.937 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.278 -2.589 0.021 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.700 -4.700 -1.925 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.192 -4.333 -1.083 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.494 -3.954 -0.976 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.471 -4.017 0.802 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.123 -5.387 -0.128 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.926 -2.879 -3.068 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.891 -1.909 -1.577 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.375 -2.281 -2.432 1.00 0.00 H new ATOM 509 N LEU A 37 -3.838 -5.476 2.650 1.00 0.00 N ATOM 510 CA LEU A 37 -3.002 -5.749 3.806 1.00 0.00 C ATOM 511 C LEU A 37 -1.612 -6.180 3.335 1.00 0.00 C ATOM 512 O LEU A 37 -1.475 -7.173 2.622 1.00 0.00 O ATOM 513 CB LEU A 37 -3.680 -6.762 4.731 1.00 0.00 C ATOM 514 CG LEU A 37 -4.950 -6.282 5.436 1.00 0.00 C ATOM 515 CD1 LEU A 37 -5.696 -7.453 6.080 1.00 0.00 C ATOM 516 CD2 LEU A 37 -4.633 -5.179 6.447 1.00 0.00 C ATOM 0 H LEU A 37 -3.997 -6.278 2.040 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.871 -4.846 4.402 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.926 -7.649 4.147 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.961 -7.069 5.490 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.614 -5.850 4.687 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.595 -7.084 6.574 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.975 -8.174 5.311 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.051 -7.936 6.814 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.553 -4.856 6.934 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.941 -5.561 7.197 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.179 -4.333 5.932 1.00 0.00 H new ATOM 528 N VAL A 38 -0.616 -5.413 3.752 1.00 0.00 N ATOM 529 CA VAL A 38 0.759 -5.703 3.382 1.00 0.00 C ATOM 530 C VAL A 38 1.532 -6.156 4.622 1.00 0.00 C ATOM 531 O VAL A 38 1.498 -5.491 5.656 1.00 0.00 O ATOM 532 CB VAL A 38 1.385 -4.486 2.698 1.00 0.00 C ATOM 533 CG1 VAL A 38 2.843 -4.757 2.324 1.00 0.00 C ATOM 534 CG2 VAL A 38 0.572 -4.068 1.471 1.00 0.00 C ATOM 0 H VAL A 38 -0.734 -4.590 4.343 1.00 0.00 H new ATOM 0 HA VAL A 38 0.796 -6.519 2.660 1.00 0.00 H new ATOM 0 HB VAL A 38 1.370 -3.658 3.407 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.264 -3.876 1.839 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.414 -4.983 3.225 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.892 -5.605 1.641 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.039 -3.201 1.004 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.540 -4.892 0.758 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.443 -3.813 1.776 1.00 0.00 H new ATOM 544 N ASN A 39 2.210 -7.285 4.477 1.00 0.00 N ATOM 545 CA ASN A 39 2.991 -7.835 5.572 1.00 0.00 C ATOM 546 C ASN A 39 4.441 -7.366 5.445 1.00 0.00 C ATOM 547 O ASN A 39 5.098 -7.634 4.441 1.00 0.00 O ATOM 548 CB ASN A 39 2.984 -9.365 5.540 1.00 0.00 C ATOM 549 CG ASN A 39 3.472 -9.943 6.870 1.00 0.00 C ATOM 550 OD1 ASN A 39 2.717 -10.133 7.809 1.00 0.00 O ATOM 551 ND2 ASN A 39 4.774 -10.213 6.897 1.00 0.00 N ATOM 0 H ASN A 39 2.235 -7.834 3.618 1.00 0.00 H new ATOM 0 HA ASN A 39 2.548 -7.492 6.507 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.976 -9.723 5.332 1.00 0.00 H new ATOM 0 HB3 ASN A 39 3.622 -9.718 4.730 1.00 0.00 H new ATOM 0 HD21 ASN A 39 5.197 -10.603 7.739 1.00 0.00 H new ATOM 0 HD22 ASN A 39 5.350 -10.030 6.075 1.00 0.00 H new ATOM 558 N MET A 40 4.899 -6.674 6.478 1.00 0.00 N ATOM 559 CA MET A 40 6.259 -6.165 6.495 1.00 0.00 C ATOM 560 C MET A 40 7.039 -6.722 7.687 1.00 0.00 C ATOM 561 O MET A 40 7.655 -5.968 8.439 1.00 0.00 O ATOM 562 CB MET A 40 6.232 -4.637 6.572 1.00 0.00 C ATOM 563 CG MET A 40 5.358 -4.047 5.463 1.00 0.00 C ATOM 564 SD MET A 40 6.248 -4.052 3.916 1.00 0.00 S ATOM 565 CE MET A 40 7.567 -2.917 4.314 1.00 0.00 C ATOM 0 H MET A 40 4.351 -6.454 7.310 1.00 0.00 H new ATOM 0 HA MET A 40 6.757 -6.483 5.579 1.00 0.00 H new ATOM 0 HB2 MET A 40 5.851 -4.325 7.545 1.00 0.00 H new ATOM 0 HB3 MET A 40 7.246 -4.247 6.487 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.440 -4.626 5.366 1.00 0.00 H new ATOM 0 HG3 MET A 40 5.067 -3.029 5.721 1.00 0.00 H new ATOM 0 HE1 MET A 40 7.438 -1.996 3.746 1.00 0.00 H new ATOM 0 HE2 MET A 40 7.544 -2.692 5.380 1.00 0.00 H new ATOM 0 HE3 MET A 40 8.525 -3.369 4.059 1.00 0.00 H new ATOM 575 N ALA A 41 6.987 -8.039 7.824 1.00 0.00 N ATOM 576 CA ALA A 41 7.681 -8.707 8.912 1.00 0.00 C ATOM 577 C ALA A 41 9.164 -8.839 8.561 1.00 0.00 C ATOM 578 O ALA A 41 10.017 -8.853 9.448 1.00 0.00 O ATOM 579 CB ALA A 41 7.023 -10.061 9.183 1.00 0.00 C ATOM 0 H ALA A 41 6.475 -8.662 7.199 1.00 0.00 H new ATOM 0 HA ALA A 41 7.610 -8.121 9.829 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.544 -10.562 9.999 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.979 -9.910 9.457 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.077 -10.678 8.286 1.00 0.00 H new ATOM 585 N SER A 42 9.427 -8.932 7.266 1.00 0.00 N ATOM 586 CA SER A 42 10.792 -9.062 6.786 1.00 0.00 C ATOM 587 C SER A 42 11.365 -7.682 6.458 1.00 0.00 C ATOM 588 O SER A 42 12.537 -7.561 6.104 1.00 0.00 O ATOM 589 CB SER A 42 10.860 -9.972 5.558 1.00 0.00 C ATOM 590 OG SER A 42 11.886 -10.954 5.678 1.00 0.00 O ATOM 0 H SER A 42 8.717 -8.920 6.534 1.00 0.00 H new ATOM 0 HA SER A 42 11.390 -9.518 7.575 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.899 -10.467 5.420 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.038 -9.368 4.668 1.00 0.00 H new ATOM 0 HG SER A 42 11.896 -11.516 4.875 1.00 0.00 H new ATOM 596 N PHE A 43 10.512 -6.676 6.585 1.00 0.00 N ATOM 597 CA PHE A 43 10.919 -5.310 6.306 1.00 0.00 C ATOM 598 C PHE A 43 10.164 -4.320 7.195 1.00 0.00 C ATOM 599 O PHE A 43 9.393 -3.499 6.701 1.00 0.00 O ATOM 600 CB PHE A 43 10.571 -5.030 4.842 1.00 0.00 C ATOM 601 CG PHE A 43 11.351 -5.886 3.843 1.00 0.00 C ATOM 602 CD1 PHE A 43 10.935 -7.150 3.560 1.00 0.00 C ATOM 603 CD2 PHE A 43 12.461 -5.384 3.237 1.00 0.00 C ATOM 604 CE1 PHE A 43 11.659 -7.944 2.632 1.00 0.00 C ATOM 605 CE2 PHE A 43 13.184 -6.178 2.309 1.00 0.00 C ATOM 606 CZ PHE A 43 12.768 -7.442 2.026 1.00 0.00 C ATOM 0 H PHE A 43 9.540 -6.780 6.878 1.00 0.00 H new ATOM 0 HA PHE A 43 11.985 -5.192 6.501 1.00 0.00 H new ATOM 0 HB2 PHE A 43 9.504 -5.198 4.694 1.00 0.00 H new ATOM 0 HB3 PHE A 43 10.760 -3.978 4.629 1.00 0.00 H new ATOM 0 HD1 PHE A 43 10.054 -7.549 4.041 1.00 0.00 H new ATOM 0 HD2 PHE A 43 12.792 -4.381 3.462 1.00 0.00 H new ATOM 0 HE1 PHE A 43 11.329 -8.947 2.407 1.00 0.00 H new ATOM 0 HE2 PHE A 43 14.064 -5.779 1.827 1.00 0.00 H new ATOM 0 HZ PHE A 43 13.318 -8.047 1.320 1.00 0.00 H new ATOM 616 N PRO A 44 10.418 -4.434 8.527 1.00 0.00 N ATOM 617 CA PRO A 44 9.771 -3.559 9.490 1.00 0.00 C ATOM 618 C PRO A 44 10.386 -2.159 9.457 1.00 0.00 C ATOM 619 O PRO A 44 9.821 -1.216 10.010 1.00 0.00 O ATOM 620 CB PRO A 44 9.945 -4.254 10.831 1.00 0.00 C ATOM 621 CG PRO A 44 11.078 -5.249 10.641 1.00 0.00 C ATOM 622 CD PRO A 44 11.325 -5.395 9.148 1.00 0.00 C ATOM 0 HA PRO A 44 8.715 -3.401 9.273 1.00 0.00 H new ATOM 0 HB2 PRO A 44 10.184 -3.536 11.615 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.027 -4.760 11.131 1.00 0.00 H new ATOM 0 HG2 PRO A 44 11.980 -4.901 11.145 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.818 -6.212 11.081 1.00 0.00 H new ATOM 0 HD2 PRO A 44 12.363 -5.180 8.895 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.118 -6.410 8.810 1.00 0.00 H new ATOM 630 N GLU A 45 11.534 -2.066 8.804 1.00 0.00 N ATOM 631 CA GLU A 45 12.232 -0.796 8.692 1.00 0.00 C ATOM 632 C GLU A 45 11.846 -0.092 7.389 1.00 0.00 C ATOM 633 O GLU A 45 12.176 1.076 7.190 1.00 0.00 O ATOM 634 CB GLU A 45 13.746 -0.992 8.781 1.00 0.00 C ATOM 635 CG GLU A 45 14.277 -1.731 7.551 1.00 0.00 C ATOM 636 CD GLU A 45 15.120 -2.941 7.959 1.00 0.00 C ATOM 637 OE1 GLU A 45 14.510 -3.924 8.431 1.00 0.00 O ATOM 638 OE2 GLU A 45 16.356 -2.855 7.789 1.00 0.00 O ATOM 0 H GLU A 45 11.999 -2.850 8.346 1.00 0.00 H new ATOM 0 HA GLU A 45 11.931 -0.164 9.527 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.237 -0.023 8.867 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.991 -1.555 9.682 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.443 -2.057 6.930 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.878 -1.052 6.946 1.00 0.00 H new ATOM 645 N CYS A 46 11.152 -0.832 6.537 1.00 0.00 N ATOM 646 CA CYS A 46 10.718 -0.293 5.259 1.00 0.00 C ATOM 647 C CYS A 46 9.203 -0.088 5.314 1.00 0.00 C ATOM 648 O CYS A 46 8.591 0.313 4.325 1.00 0.00 O ATOM 649 CB CYS A 46 11.131 -1.196 4.095 1.00 0.00 C ATOM 650 SG CYS A 46 12.369 -0.345 3.050 1.00 0.00 S ATOM 0 H CYS A 46 10.879 -1.800 6.706 1.00 0.00 H new ATOM 0 HA CYS A 46 11.206 0.665 5.080 1.00 0.00 H new ATOM 0 HB2 CYS A 46 11.545 -2.129 4.477 1.00 0.00 H new ATOM 0 HB3 CYS A 46 10.257 -1.456 3.498 1.00 0.00 H new ATOM 0 HG CYS A 46 12.714 -1.122 2.066 1.00 0.00 H new ATOM 656 N THR A 47 8.641 -0.373 6.479 1.00 0.00 N ATOM 657 CA THR A 47 7.209 -0.226 6.676 1.00 0.00 C ATOM 658 C THR A 47 6.751 1.166 6.234 1.00 0.00 C ATOM 659 O THR A 47 5.834 1.293 5.424 1.00 0.00 O ATOM 660 CB THR A 47 6.899 -0.530 8.143 1.00 0.00 C ATOM 661 OG1 THR A 47 7.376 -1.860 8.330 1.00 0.00 O ATOM 662 CG2 THR A 47 5.397 -0.631 8.415 1.00 0.00 C ATOM 0 H THR A 47 9.152 -0.705 7.297 1.00 0.00 H new ATOM 0 HA THR A 47 6.650 -0.930 6.059 1.00 0.00 H new ATOM 0 HB THR A 47 7.331 0.247 8.774 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.839 -2.307 9.017 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.232 -0.848 9.470 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.917 0.313 8.159 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.971 -1.431 7.809 1.00 0.00 H new ATOM 670 N ALA A 48 7.411 2.174 6.786 1.00 0.00 N ATOM 671 CA ALA A 48 7.082 3.551 6.459 1.00 0.00 C ATOM 672 C ALA A 48 7.310 3.784 4.964 1.00 0.00 C ATOM 673 O ALA A 48 6.436 4.305 4.273 1.00 0.00 O ATOM 674 CB ALA A 48 7.915 4.495 7.330 1.00 0.00 C ATOM 0 H ALA A 48 8.171 2.065 7.457 1.00 0.00 H new ATOM 0 HA ALA A 48 6.032 3.755 6.668 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.669 5.528 7.085 1.00 0.00 H new ATOM 0 HB2 ALA A 48 7.695 4.309 8.381 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.975 4.321 7.144 1.00 0.00 H new ATOM 680 N ALA A 49 8.489 3.387 4.509 1.00 0.00 N ATOM 681 CA ALA A 49 8.843 3.546 3.109 1.00 0.00 C ATOM 682 C ALA A 49 7.631 3.207 2.239 1.00 0.00 C ATOM 683 O ALA A 49 7.221 4.008 1.400 1.00 0.00 O ATOM 684 CB ALA A 49 10.055 2.670 2.786 1.00 0.00 C ATOM 0 H ALA A 49 9.212 2.955 5.085 1.00 0.00 H new ATOM 0 HA ALA A 49 9.121 4.579 2.899 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.321 2.789 1.736 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.897 2.970 3.410 1.00 0.00 H new ATOM 0 HB3 ALA A 49 9.812 1.626 2.982 1.00 0.00 H new ATOM 690 N ALA A 50 7.091 2.019 2.469 1.00 0.00 N ATOM 691 CA ALA A 50 5.934 1.565 1.718 1.00 0.00 C ATOM 692 C ALA A 50 4.813 2.599 1.841 1.00 0.00 C ATOM 693 O ALA A 50 4.416 3.210 0.850 1.00 0.00 O ATOM 694 CB ALA A 50 5.509 0.183 2.219 1.00 0.00 C ATOM 0 H ALA A 50 7.434 1.357 3.165 1.00 0.00 H new ATOM 0 HA ALA A 50 6.178 1.467 0.660 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.641 -0.157 1.655 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.329 -0.522 2.082 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.254 0.242 3.277 1.00 0.00 H new ATOM 700 N ILE A 51 4.334 2.762 3.065 1.00 0.00 N ATOM 701 CA ILE A 51 3.266 3.712 3.330 1.00 0.00 C ATOM 702 C ILE A 51 3.501 4.980 2.507 1.00 0.00 C ATOM 703 O ILE A 51 2.551 5.608 2.043 1.00 0.00 O ATOM 704 CB ILE A 51 3.139 3.970 4.833 1.00 0.00 C ATOM 705 CG1 ILE A 51 2.430 2.807 5.531 1.00 0.00 C ATOM 706 CG2 ILE A 51 2.449 5.307 5.104 1.00 0.00 C ATOM 707 CD1 ILE A 51 3.182 2.386 6.795 1.00 0.00 C ATOM 0 H ILE A 51 4.665 2.253 3.884 1.00 0.00 H new ATOM 0 HA ILE A 51 2.306 3.302 3.018 1.00 0.00 H new ATOM 0 HB ILE A 51 4.142 4.035 5.254 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.412 3.099 5.789 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.355 1.960 4.849 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.372 5.465 6.180 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.032 6.114 4.660 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.451 5.297 4.666 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.657 1.558 7.272 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.191 2.071 6.530 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.234 3.228 7.485 1.00 0.00 H new ATOM 719 N LYS A 52 4.773 5.319 2.351 1.00 0.00 N ATOM 720 CA LYS A 52 5.145 6.501 1.592 1.00 0.00 C ATOM 721 C LYS A 52 4.799 6.283 0.117 1.00 0.00 C ATOM 722 O LYS A 52 3.919 6.952 -0.423 1.00 0.00 O ATOM 723 CB LYS A 52 6.614 6.853 1.834 1.00 0.00 C ATOM 724 CG LYS A 52 6.744 8.203 2.542 1.00 0.00 C ATOM 725 CD LYS A 52 7.847 8.161 3.602 1.00 0.00 C ATOM 726 CE LYS A 52 9.089 8.920 3.131 1.00 0.00 C ATOM 727 NZ LYS A 52 9.687 9.680 4.251 1.00 0.00 N ATOM 0 H LYS A 52 5.559 4.796 2.737 1.00 0.00 H new ATOM 0 HA LYS A 52 4.575 7.366 1.930 1.00 0.00 H new ATOM 0 HB2 LYS A 52 7.084 6.075 2.437 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.146 6.884 0.883 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.966 8.981 1.812 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.795 8.466 3.009 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.480 8.597 4.531 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.109 7.125 3.818 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.820 8.219 2.728 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.822 9.601 2.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.529 10.189 3.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.993 10.362 4.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.960 9.023 5.010 1.00 0.00 H new ATOM 741 N ALA A 53 5.511 5.347 -0.493 1.00 0.00 N ATOM 742 CA ALA A 53 5.291 5.033 -1.894 1.00 0.00 C ATOM 743 C ALA A 53 3.818 5.265 -2.239 1.00 0.00 C ATOM 744 O ALA A 53 3.505 5.924 -3.230 1.00 0.00 O ATOM 745 CB ALA A 53 5.735 3.596 -2.172 1.00 0.00 C ATOM 0 H ALA A 53 6.241 4.796 -0.042 1.00 0.00 H new ATOM 0 HA ALA A 53 5.886 5.687 -2.531 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.570 3.361 -3.223 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.795 3.491 -1.939 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.158 2.910 -1.552 1.00 0.00 H new ATOM 751 N ILE A 54 2.953 4.711 -1.403 1.00 0.00 N ATOM 752 CA ILE A 54 1.521 4.849 -1.606 1.00 0.00 C ATOM 753 C ILE A 54 1.166 6.333 -1.711 1.00 0.00 C ATOM 754 O ILE A 54 0.688 6.789 -2.749 1.00 0.00 O ATOM 755 CB ILE A 54 0.750 4.108 -0.512 1.00 0.00 C ATOM 756 CG1 ILE A 54 0.963 2.597 -0.619 1.00 0.00 C ATOM 757 CG2 ILE A 54 -0.733 4.481 -0.538 1.00 0.00 C ATOM 758 CD1 ILE A 54 1.660 2.051 0.629 1.00 0.00 C ATOM 0 H ILE A 54 3.216 4.165 -0.583 1.00 0.00 H new ATOM 0 HA ILE A 54 1.223 4.382 -2.545 1.00 0.00 H new ATOM 0 HB ILE A 54 1.144 4.421 0.455 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.002 2.099 -0.750 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.562 2.372 -1.502 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.258 3.940 0.250 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.841 5.553 -0.376 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.158 4.215 -1.506 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.799 0.975 0.527 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.631 2.533 0.744 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.047 2.256 1.507 1.00 0.00 H new ATOM 770 N ARG A 55 1.414 7.047 -0.623 1.00 0.00 N ATOM 771 CA ARG A 55 1.127 8.470 -0.579 1.00 0.00 C ATOM 772 C ARG A 55 1.849 9.193 -1.719 1.00 0.00 C ATOM 773 O ARG A 55 1.280 10.078 -2.356 1.00 0.00 O ATOM 774 CB ARG A 55 1.559 9.079 0.756 1.00 0.00 C ATOM 775 CG ARG A 55 0.470 8.906 1.816 1.00 0.00 C ATOM 776 CD ARG A 55 0.901 7.901 2.887 1.00 0.00 C ATOM 777 NE ARG A 55 0.675 8.470 4.235 1.00 0.00 N ATOM 778 CZ ARG A 55 1.482 9.368 4.815 1.00 0.00 C ATOM 779 NH1 ARG A 55 2.573 9.805 4.170 1.00 0.00 N ATOM 780 NH2 ARG A 55 1.199 9.829 6.041 1.00 0.00 N ATOM 0 H ARG A 55 1.811 6.666 0.236 1.00 0.00 H new ATOM 0 HA ARG A 55 0.050 8.594 -0.690 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.480 8.605 1.095 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.777 10.139 0.623 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.254 9.868 2.281 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.452 8.566 1.343 1.00 0.00 H new ATOM 0 HD2 ARG A 55 0.338 6.974 2.775 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.954 7.651 2.760 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.146 8.159 4.754 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.789 9.454 3.237 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.187 10.489 4.612 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.369 9.496 6.532 1.00 0.00 H new ATOM 0 HH22 ARG A 55 1.813 10.513 6.483 1.00 0.00 H new ATOM 794 N GLU A 56 3.090 8.788 -1.941 1.00 0.00 N ATOM 795 CA GLU A 56 3.896 9.385 -2.992 1.00 0.00 C ATOM 796 C GLU A 56 3.219 9.197 -4.351 1.00 0.00 C ATOM 797 O GLU A 56 3.385 10.019 -5.251 1.00 0.00 O ATOM 798 CB GLU A 56 5.310 8.801 -2.999 1.00 0.00 C ATOM 799 CG GLU A 56 6.108 9.285 -1.786 1.00 0.00 C ATOM 800 CD GLU A 56 7.521 9.709 -2.194 1.00 0.00 C ATOM 801 OE1 GLU A 56 8.202 8.876 -2.830 1.00 0.00 O ATOM 802 OE2 GLU A 56 7.887 10.857 -1.861 1.00 0.00 O ATOM 0 H GLU A 56 3.558 8.053 -1.411 1.00 0.00 H new ATOM 0 HA GLU A 56 3.981 10.454 -2.794 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.258 7.712 -2.994 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.823 9.091 -3.916 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.593 10.124 -1.319 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.163 8.491 -1.042 1.00 0.00 H new ATOM 809 N SER A 57 2.469 8.110 -4.458 1.00 0.00 N ATOM 810 CA SER A 57 1.766 7.803 -5.692 1.00 0.00 C ATOM 811 C SER A 57 0.587 8.761 -5.874 1.00 0.00 C ATOM 812 O SER A 57 0.149 9.401 -4.919 1.00 0.00 O ATOM 813 CB SER A 57 1.279 6.353 -5.702 1.00 0.00 C ATOM 814 OG SER A 57 -0.084 6.245 -5.301 1.00 0.00 O ATOM 0 H SER A 57 2.333 7.430 -3.710 1.00 0.00 H new ATOM 0 HA SER A 57 2.460 7.930 -6.523 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.396 5.938 -6.703 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.902 5.757 -5.035 1.00 0.00 H new ATOM 0 HG SER A 57 -0.149 6.355 -4.329 1.00 0.00 H new ATOM 820 N GLY A 58 0.106 8.829 -7.107 1.00 0.00 N ATOM 821 CA GLY A 58 -1.014 9.697 -7.426 1.00 0.00 C ATOM 822 C GLY A 58 -2.325 9.123 -6.885 1.00 0.00 C ATOM 823 O GLY A 58 -3.272 8.909 -7.640 1.00 0.00 O ATOM 0 H GLY A 58 0.472 8.297 -7.897 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.844 10.687 -7.002 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.086 9.821 -8.506 1.00 0.00 H new ATOM 827 N MET A 59 -2.338 8.891 -5.580 1.00 0.00 N ATOM 828 CA MET A 59 -3.517 8.346 -4.929 1.00 0.00 C ATOM 829 C MET A 59 -3.996 9.266 -3.804 1.00 0.00 C ATOM 830 O MET A 59 -5.198 9.439 -3.608 1.00 0.00 O ATOM 831 CB MET A 59 -3.192 6.965 -4.356 1.00 0.00 C ATOM 832 CG MET A 59 -3.661 5.856 -5.300 1.00 0.00 C ATOM 833 SD MET A 59 -3.682 4.292 -4.440 1.00 0.00 S ATOM 834 CE MET A 59 -2.150 3.593 -5.031 1.00 0.00 C ATOM 0 H MET A 59 -1.551 9.071 -4.957 1.00 0.00 H new ATOM 0 HA MET A 59 -4.313 8.263 -5.669 1.00 0.00 H new ATOM 0 HB2 MET A 59 -2.118 6.879 -4.193 1.00 0.00 H new ATOM 0 HB3 MET A 59 -3.672 6.848 -3.385 1.00 0.00 H new ATOM 0 HG2 MET A 59 -4.657 6.086 -5.678 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.998 5.797 -6.163 1.00 0.00 H new ATOM 0 HE1 MET A 59 -2.106 2.537 -4.765 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.097 3.697 -6.115 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.311 4.117 -4.574 1.00 0.00 H new ATOM 844 N ASN A 60 -3.031 9.830 -3.093 1.00 0.00 N ATOM 845 CA ASN A 60 -3.339 10.728 -1.993 1.00 0.00 C ATOM 846 C ASN A 60 -4.119 9.964 -0.920 1.00 0.00 C ATOM 847 O ASN A 60 -4.698 10.569 -0.020 1.00 0.00 O ATOM 848 CB ASN A 60 -4.204 11.899 -2.462 1.00 0.00 C ATOM 849 CG ASN A 60 -3.339 13.034 -3.014 1.00 0.00 C ATOM 850 OD1 ASN A 60 -2.555 13.649 -2.310 1.00 0.00 O ATOM 851 ND2 ASN A 60 -3.525 13.275 -4.308 1.00 0.00 N ATOM 0 H ASN A 60 -2.035 9.683 -3.257 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.398 11.111 -1.598 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.897 11.558 -3.231 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.806 12.267 -1.631 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.995 14.013 -4.771 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.198 12.722 -4.838 1.00 0.00 H new ATOM 858 N LEU A 61 -4.109 8.646 -1.053 1.00 0.00 N ATOM 859 CA LEU A 61 -4.808 7.793 -0.107 1.00 0.00 C ATOM 860 C LEU A 61 -4.159 7.929 1.272 1.00 0.00 C ATOM 861 O LEU A 61 -3.079 8.505 1.400 1.00 0.00 O ATOM 862 CB LEU A 61 -4.862 6.353 -0.621 1.00 0.00 C ATOM 863 CG LEU A 61 -5.962 6.046 -1.640 1.00 0.00 C ATOM 864 CD1 LEU A 61 -7.217 5.513 -0.947 1.00 0.00 C ATOM 865 CD2 LEU A 61 -6.262 7.269 -2.508 1.00 0.00 C ATOM 0 H LEU A 61 -3.628 8.148 -1.802 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.846 8.110 -0.005 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.899 6.113 -1.072 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.989 5.688 0.233 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.603 5.260 -2.305 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.983 5.303 -1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.974 4.597 -0.408 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.589 6.259 -0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.047 7.024 -3.223 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.592 8.092 -1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.361 7.564 -3.045 1.00 0.00 H new ATOM 877 N ASN A 62 -4.844 7.390 2.269 1.00 0.00 N ATOM 878 CA ASN A 62 -4.348 7.444 3.634 1.00 0.00 C ATOM 879 C ASN A 62 -4.185 6.020 4.170 1.00 0.00 C ATOM 880 O ASN A 62 -5.090 5.487 4.811 1.00 0.00 O ATOM 881 CB ASN A 62 -5.327 8.184 4.547 1.00 0.00 C ATOM 882 CG ASN A 62 -6.742 7.617 4.409 1.00 0.00 C ATOM 883 OD1 ASN A 62 -7.244 7.390 3.320 1.00 0.00 O ATOM 884 ND2 ASN A 62 -7.354 7.401 5.570 1.00 0.00 N ATOM 0 H ASN A 62 -5.739 6.913 2.159 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.394 7.972 3.625 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.998 8.101 5.583 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.331 9.245 4.298 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -8.301 7.023 5.585 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.876 7.613 6.446 1.00 0.00 H new ATOM 891 N PRO A 63 -2.995 5.429 3.880 1.00 0.00 N ATOM 892 CA PRO A 63 -2.703 4.078 4.325 1.00 0.00 C ATOM 893 C PRO A 63 -2.391 4.049 5.823 1.00 0.00 C ATOM 894 O PRO A 63 -1.931 5.043 6.384 1.00 0.00 O ATOM 895 CB PRO A 63 -1.533 3.625 3.467 1.00 0.00 C ATOM 896 CG PRO A 63 -0.917 4.894 2.900 1.00 0.00 C ATOM 897 CD PRO A 63 -1.901 6.030 3.123 1.00 0.00 C ATOM 0 HA PRO A 63 -3.552 3.404 4.207 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.806 3.069 4.059 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.867 2.963 2.669 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.032 5.110 3.390 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -0.707 4.774 1.837 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.441 6.850 3.675 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.253 6.441 2.177 1.00 0.00 H new ATOM 905 N GLU A 64 -2.655 2.901 6.428 1.00 0.00 N ATOM 906 CA GLU A 64 -2.409 2.730 7.850 1.00 0.00 C ATOM 907 C GLU A 64 -1.185 1.839 8.073 1.00 0.00 C ATOM 908 O GLU A 64 -0.585 1.351 7.117 1.00 0.00 O ATOM 909 CB GLU A 64 -3.640 2.157 8.555 1.00 0.00 C ATOM 910 CG GLU A 64 -4.588 3.274 8.996 1.00 0.00 C ATOM 911 CD GLU A 64 -5.393 2.855 10.228 1.00 0.00 C ATOM 912 OE1 GLU A 64 -4.784 2.823 11.320 1.00 0.00 O ATOM 913 OE2 GLU A 64 -6.598 2.577 10.051 1.00 0.00 O ATOM 0 H GLU A 64 -3.037 2.079 5.960 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.206 3.709 8.284 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.163 1.475 7.885 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.329 1.575 9.423 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.016 4.174 9.220 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.267 3.523 8.181 1.00 0.00 H new ATOM 920 N VAL A 65 -0.851 1.654 9.342 1.00 0.00 N ATOM 921 CA VAL A 65 0.290 0.830 9.703 1.00 0.00 C ATOM 922 C VAL A 65 0.102 0.302 11.127 1.00 0.00 C ATOM 923 O VAL A 65 0.022 1.080 12.076 1.00 0.00 O ATOM 924 CB VAL A 65 1.586 1.625 9.526 1.00 0.00 C ATOM 925 CG1 VAL A 65 1.779 2.620 10.672 1.00 0.00 C ATOM 926 CG2 VAL A 65 2.790 0.689 9.403 1.00 0.00 C ATOM 0 H VAL A 65 -1.351 2.061 10.133 1.00 0.00 H new ATOM 0 HA VAL A 65 0.362 -0.034 9.043 1.00 0.00 H new ATOM 0 HB VAL A 65 1.508 2.193 8.599 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.707 3.172 10.522 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.941 3.317 10.693 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.826 2.081 11.618 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.698 1.279 9.278 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.873 0.082 10.305 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.658 0.038 8.538 1.00 0.00 H new ATOM 936 N GLU A 66 0.037 -1.017 11.231 1.00 0.00 N ATOM 937 CA GLU A 66 -0.140 -1.658 12.523 1.00 0.00 C ATOM 938 C GLU A 66 0.942 -2.717 12.742 1.00 0.00 C ATOM 939 O GLU A 66 0.886 -3.798 12.158 1.00 0.00 O ATOM 940 CB GLU A 66 -1.537 -2.269 12.645 1.00 0.00 C ATOM 941 CG GLU A 66 -2.429 -1.420 13.553 1.00 0.00 C ATOM 942 CD GLU A 66 -2.200 -1.766 15.025 1.00 0.00 C ATOM 943 OE1 GLU A 66 -2.839 -2.737 15.487 1.00 0.00 O ATOM 944 OE2 GLU A 66 -1.391 -1.053 15.657 1.00 0.00 O ATOM 0 H GLU A 66 0.104 -1.660 10.442 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.042 -0.900 13.300 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -1.990 -2.350 11.657 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.462 -3.280 13.045 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.221 -0.363 13.388 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.476 -1.583 13.296 1.00 0.00 H new ATOM 951 N GLY A 67 1.903 -2.370 13.586 1.00 0.00 N ATOM 952 CA GLY A 67 2.996 -3.277 13.890 1.00 0.00 C ATOM 953 C GLY A 67 3.890 -3.488 12.667 1.00 0.00 C ATOM 954 O GLY A 67 4.847 -2.745 12.457 1.00 0.00 O ATOM 0 H GLY A 67 1.947 -1.473 14.069 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.588 -2.876 14.713 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.596 -4.235 14.222 1.00 0.00 H new ATOM 958 N THR A 68 3.545 -4.505 11.891 1.00 0.00 N ATOM 959 CA THR A 68 4.304 -4.824 10.693 1.00 0.00 C ATOM 960 C THR A 68 3.370 -4.950 9.488 1.00 0.00 C ATOM 961 O THR A 68 3.812 -5.278 8.388 1.00 0.00 O ATOM 962 CB THR A 68 5.114 -6.092 10.970 1.00 0.00 C ATOM 963 OG1 THR A 68 4.296 -6.837 11.869 1.00 0.00 O ATOM 964 CG2 THR A 68 6.387 -5.811 11.771 1.00 0.00 C ATOM 0 H THR A 68 2.750 -5.119 12.068 1.00 0.00 H new ATOM 0 HA THR A 68 5.001 -4.025 10.442 1.00 0.00 H new ATOM 0 HB THR A 68 5.377 -6.568 10.025 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.745 -7.677 12.100 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.924 -6.744 11.940 1.00 0.00 H new ATOM 0 HG22 THR A 68 7.022 -5.122 11.214 1.00 0.00 H new ATOM 0 HG23 THR A 68 6.123 -5.366 12.730 1.00 0.00 H new ATOM 972 N LEU A 69 2.096 -4.683 9.736 1.00 0.00 N ATOM 973 CA LEU A 69 1.096 -4.763 8.685 1.00 0.00 C ATOM 974 C LEU A 69 0.707 -3.349 8.249 1.00 0.00 C ATOM 975 O LEU A 69 0.804 -2.406 9.032 1.00 0.00 O ATOM 976 CB LEU A 69 -0.090 -5.616 9.138 1.00 0.00 C ATOM 977 CG LEU A 69 -0.153 -7.034 8.568 1.00 0.00 C ATOM 978 CD1 LEU A 69 -0.451 -7.009 7.067 1.00 0.00 C ATOM 979 CD2 LEU A 69 1.126 -7.811 8.885 1.00 0.00 C ATOM 0 H LEU A 69 1.733 -4.411 10.650 1.00 0.00 H new ATOM 0 HA LEU A 69 1.504 -5.266 7.808 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.069 -5.684 10.226 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.010 -5.096 8.869 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.977 -7.559 9.052 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.490 -8.030 6.687 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.410 -6.520 6.895 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.335 -6.459 6.549 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.054 -8.816 8.468 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.982 -7.297 8.448 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.255 -7.875 9.966 1.00 0.00 H new ATOM 991 N ILE A 70 0.274 -3.247 7.001 1.00 0.00 N ATOM 992 CA ILE A 70 -0.131 -1.964 6.452 1.00 0.00 C ATOM 993 C ILE A 70 -1.552 -2.077 5.897 1.00 0.00 C ATOM 994 O ILE A 70 -1.893 -3.067 5.251 1.00 0.00 O ATOM 995 CB ILE A 70 0.893 -1.474 5.426 1.00 0.00 C ATOM 996 CG1 ILE A 70 2.317 -1.591 5.972 1.00 0.00 C ATOM 997 CG2 ILE A 70 0.570 -0.050 4.967 1.00 0.00 C ATOM 998 CD1 ILE A 70 3.343 -1.144 4.929 1.00 0.00 C ATOM 0 H ILE A 70 0.195 -4.032 6.354 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.154 -1.205 7.234 1.00 0.00 H new ATOM 0 HB ILE A 70 0.832 -2.118 4.548 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.417 -0.981 6.870 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.515 -2.623 6.263 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.313 0.275 4.238 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.419 -0.031 4.510 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.586 0.622 5.825 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.347 -1.237 5.343 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.257 -1.771 4.042 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.157 -0.105 4.658 1.00 0.00 H new ATOM 1010 N ARG A 71 -2.343 -1.050 6.170 1.00 0.00 N ATOM 1011 CA ARG A 71 -3.720 -1.022 5.707 1.00 0.00 C ATOM 1012 C ARG A 71 -3.892 0.040 4.619 1.00 0.00 C ATOM 1013 O ARG A 71 -3.656 1.224 4.858 1.00 0.00 O ATOM 1014 CB ARG A 71 -4.682 -0.723 6.858 1.00 0.00 C ATOM 1015 CG ARG A 71 -5.624 -1.903 7.105 1.00 0.00 C ATOM 1016 CD ARG A 71 -6.766 -1.507 8.044 1.00 0.00 C ATOM 1017 NE ARG A 71 -6.610 -2.191 9.347 1.00 0.00 N ATOM 1018 CZ ARG A 71 -7.540 -2.190 10.311 1.00 0.00 C ATOM 1019 NH1 ARG A 71 -8.698 -1.542 10.125 1.00 0.00 N ATOM 1020 NH2 ARG A 71 -7.312 -2.838 11.462 1.00 0.00 N ATOM 0 H ARG A 71 -2.057 -0.231 6.706 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.953 -2.006 5.300 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.115 -0.509 7.764 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.264 0.170 6.628 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.033 -2.251 6.156 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.066 -2.734 7.536 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.770 -0.427 8.189 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.724 -1.772 7.597 1.00 0.00 H new ATOM 0 HE ARG A 71 -5.740 -2.694 9.522 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.872 -1.049 9.249 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.406 -1.542 10.859 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.431 -3.332 11.603 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.020 -2.838 12.196 1.00 0.00 H new ATOM 1034 N VAL A 72 -4.302 -0.421 3.446 1.00 0.00 N ATOM 1035 CA VAL A 72 -4.508 0.475 2.321 1.00 0.00 C ATOM 1036 C VAL A 72 -5.968 0.394 1.871 1.00 0.00 C ATOM 1037 O VAL A 72 -6.346 -0.520 1.139 1.00 0.00 O ATOM 1038 CB VAL A 72 -3.518 0.145 1.201 1.00 0.00 C ATOM 1039 CG1 VAL A 72 -4.168 0.317 -0.173 1.00 0.00 C ATOM 1040 CG2 VAL A 72 -2.253 0.997 1.320 1.00 0.00 C ATOM 0 H VAL A 72 -4.497 -1.403 3.251 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.315 1.507 2.614 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.229 -0.901 1.306 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.443 0.076 -0.951 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.025 -0.351 -0.256 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.499 1.349 -0.292 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.566 0.743 0.513 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.517 2.052 1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.773 0.803 2.279 1.00 0.00 H new ATOM 1050 N PRO A 73 -6.770 1.387 2.339 1.00 0.00 N ATOM 1051 CA PRO A 73 -8.180 1.437 1.993 1.00 0.00 C ATOM 1052 C PRO A 73 -8.375 1.912 0.552 1.00 0.00 C ATOM 1053 O PRO A 73 -7.685 2.824 0.097 1.00 0.00 O ATOM 1054 CB PRO A 73 -8.804 2.372 3.016 1.00 0.00 C ATOM 1055 CG PRO A 73 -7.654 3.172 3.606 1.00 0.00 C ATOM 1056 CD PRO A 73 -6.357 2.486 3.208 1.00 0.00 C ATOM 0 HA PRO A 73 -8.656 0.457 2.027 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.537 3.029 2.548 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.327 1.811 3.790 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.673 4.197 3.236 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.742 3.223 4.691 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.689 3.173 2.688 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.819 2.119 4.082 1.00 0.00 H new ATOM 1064 N ILE A 74 -9.316 1.274 -0.127 1.00 0.00 N ATOM 1065 CA ILE A 74 -9.610 1.620 -1.507 1.00 0.00 C ATOM 1066 C ILE A 74 -10.633 2.758 -1.536 1.00 0.00 C ATOM 1067 O ILE A 74 -11.559 2.786 -0.727 1.00 0.00 O ATOM 1068 CB ILE A 74 -10.047 0.380 -2.289 1.00 0.00 C ATOM 1069 CG1 ILE A 74 -8.984 -0.718 -2.215 1.00 0.00 C ATOM 1070 CG2 ILE A 74 -10.401 0.739 -3.733 1.00 0.00 C ATOM 1071 CD1 ILE A 74 -7.826 -0.424 -3.170 1.00 0.00 C ATOM 0 H ILE A 74 -9.886 0.518 0.253 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.713 1.984 -2.008 1.00 0.00 H new ATOM 0 HB ILE A 74 -10.951 -0.015 -1.825 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.608 -0.797 -1.195 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.431 -1.680 -2.465 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -10.708 -0.160 -4.267 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -11.217 1.461 -3.739 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -9.530 1.172 -4.224 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -7.084 -1.219 -3.098 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.202 -0.370 -4.192 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.366 0.527 -2.902 1.00 0.00 H new ATOM 1083 N PRO A 75 -10.425 3.693 -2.501 1.00 0.00 N ATOM 1084 CA PRO A 75 -11.317 4.830 -2.647 1.00 0.00 C ATOM 1085 C PRO A 75 -12.640 4.410 -3.290 1.00 0.00 C ATOM 1086 O PRO A 75 -12.737 3.329 -3.871 1.00 0.00 O ATOM 1087 CB PRO A 75 -10.542 5.834 -3.484 1.00 0.00 C ATOM 1088 CG PRO A 75 -9.436 5.044 -4.165 1.00 0.00 C ATOM 1089 CD PRO A 75 -9.338 3.692 -3.477 1.00 0.00 C ATOM 0 HA PRO A 75 -11.602 5.266 -1.690 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.190 6.312 -4.219 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.129 6.626 -2.860 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -9.654 4.918 -5.225 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -8.488 5.577 -4.096 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -9.447 2.876 -4.191 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -8.370 3.564 -2.992 1.00 0.00 H new