USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 660 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 22 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0987) USER MOD Set 1.2: A 100 HIS :FLIP no HD1:sc= -2.21 F(o=-2.9,f=-2.2) USER MOD Set 2.1: A 71 THR OG1 : rot -59:sc= 0.969 USER MOD Set 2.2: A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 27 LYS NZ :NH3+ 174:sc= -0.522 (180deg=-0.617) USER MOD Set 3.2: A 31 ASN : amide:sc=-0.00697 X(o=-0.53,f=-0.8) USER MOD Set 4.1: A 24 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 98 THR OG1 : rot 180:sc= -0.449 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 GLN : amide:sc= -1.73 K(o=-1.7,f=-4.9!) USER MOD Single : A 36 SER OG : rot 180:sc= -1.33 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 55 ASN :FLIP amide:sc= -0.0509 F(o=-1,f=-0.051) USER MOD Single : A 56 THR OG1 : rot -82:sc= 1.18 USER MOD Single : A 63 THR OG1 : rot -140:sc=-0.00018 USER MOD Single : A 74 ASN :FLIP amide:sc= -1.35 F(o=-2.2,f=-1.4) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -152:sc= -0.568 (180deg=-2.15!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl -157:sc= -3.6! (180deg=-5.66!) USER MOD Single : A 91 GLN :FLIP amide:sc= -0.497 F(o=-1,f=-0.5) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 TYR OH : rot 180:sc= -0.163 USER MOD Single : A 102 ASN : amide:sc= -2.1 K(o=-2.1,f=-6.4!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 122 SER OG : rot 160:sc= 0 USER MOD Single : B 124 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0352) USER MOD ----------------------------------------------------------------- ATOM 15 N VAL A 19 -0.216 -5.448 -8.951 1.00 0.00 N ATOM 16 CA VAL A 19 -0.537 -4.115 -9.446 1.00 0.00 C ATOM 17 C VAL A 19 0.433 -3.074 -8.893 1.00 0.00 C ATOM 18 O VAL A 19 0.205 -2.509 -7.822 1.00 0.00 O ATOM 19 CB VAL A 19 -1.975 -3.710 -9.074 1.00 0.00 C ATOM 20 CG1 VAL A 19 -2.364 -2.416 -9.775 1.00 0.00 C ATOM 21 CG2 VAL A 19 -2.953 -4.824 -9.415 1.00 0.00 C ATOM 0 HA VAL A 19 -0.447 -4.150 -10.532 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.016 -3.541 -7.998 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.383 -2.146 -9.500 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.683 -1.620 -9.473 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.304 -2.555 -10.854 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.963 -4.517 -9.144 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.911 -5.030 -10.484 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.687 -5.724 -8.861 1.00 0.00 H new ATOM 31 N PRO A 20 1.533 -2.807 -9.616 1.00 0.00 N ATOM 32 CA PRO A 20 2.539 -1.828 -9.189 1.00 0.00 C ATOM 33 C PRO A 20 2.006 -0.400 -9.223 1.00 0.00 C ATOM 34 O PRO A 20 1.812 0.176 -10.293 1.00 0.00 O ATOM 35 CB PRO A 20 3.667 -2.004 -10.207 1.00 0.00 C ATOM 36 CG PRO A 20 3.006 -2.572 -11.414 1.00 0.00 C ATOM 37 CD PRO A 20 1.887 -3.434 -10.903 1.00 0.00 C ATOM 0 HA PRO A 20 2.853 -1.991 -8.158 1.00 0.00 H new ATOM 0 HB2 PRO A 20 4.149 -1.053 -10.431 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.441 -2.672 -9.828 1.00 0.00 H new ATOM 0 HG2 PRO A 20 2.626 -1.781 -12.060 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.710 -3.156 -12.006 1.00 0.00 H new ATOM 0 HD2 PRO A 20 1.042 -3.444 -11.591 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.204 -4.469 -10.772 1.00 0.00 H new ATOM 45 N GLY A 21 1.771 0.166 -8.044 1.00 0.00 N ATOM 46 CA GLY A 21 1.263 1.522 -7.961 1.00 0.00 C ATOM 47 C GLY A 21 2.021 2.366 -6.956 1.00 0.00 C ATOM 48 O GLY A 21 2.345 1.900 -5.863 1.00 0.00 O ATOM 0 H GLY A 21 1.923 -0.290 -7.145 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.324 1.990 -8.943 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.209 1.495 -7.686 1.00 0.00 H new ATOM 52 N LYS A 22 2.303 3.611 -7.323 1.00 0.00 N ATOM 53 CA LYS A 22 3.029 4.522 -6.446 1.00 0.00 C ATOM 54 C LYS A 22 2.131 5.666 -5.987 1.00 0.00 C ATOM 55 O LYS A 22 1.427 6.277 -6.791 1.00 0.00 O ATOM 56 CB LYS A 22 4.262 5.079 -7.161 1.00 0.00 C ATOM 57 CG LYS A 22 3.947 5.716 -8.505 1.00 0.00 C ATOM 58 CD LYS A 22 4.540 7.111 -8.618 1.00 0.00 C ATOM 59 CE LYS A 22 5.971 7.071 -9.132 1.00 0.00 C ATOM 60 NZ LYS A 22 6.826 8.100 -8.477 1.00 0.00 N ATOM 0 H LYS A 22 2.040 4.013 -8.223 1.00 0.00 H new ATOM 0 HA LYS A 22 3.350 3.962 -5.568 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.740 5.820 -6.520 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.981 4.273 -7.309 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.338 5.088 -9.306 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.867 5.768 -8.639 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.928 7.714 -9.289 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.517 7.597 -7.643 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.393 6.082 -8.954 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.974 7.230 -10.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.747 8.144 -8.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.360 9.028 -8.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.969 7.848 -7.478 1.00 0.00 H new ATOM 74 N VAL A 23 2.162 5.951 -4.689 1.00 0.00 N ATOM 75 CA VAL A 23 1.351 7.022 -4.122 1.00 0.00 C ATOM 76 C VAL A 23 2.224 8.050 -3.406 1.00 0.00 C ATOM 77 O VAL A 23 3.197 7.696 -2.739 1.00 0.00 O ATOM 78 CB VAL A 23 0.301 6.473 -3.136 1.00 0.00 C ATOM 79 CG1 VAL A 23 0.975 5.761 -1.971 1.00 0.00 C ATOM 80 CG2 VAL A 23 -0.602 7.591 -2.635 1.00 0.00 C ATOM 0 H VAL A 23 2.740 5.455 -4.010 1.00 0.00 H new ATOM 0 HA VAL A 23 0.835 7.504 -4.953 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.317 5.747 -3.665 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.215 5.382 -1.288 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.571 4.930 -2.348 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.622 6.461 -1.442 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.336 7.182 -1.940 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.000 8.344 -2.126 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.117 8.049 -3.480 1.00 0.00 H new ATOM 90 N THR A 24 1.870 9.323 -3.551 1.00 0.00 N ATOM 91 CA THR A 24 2.621 10.402 -2.920 1.00 0.00 C ATOM 92 C THR A 24 1.954 10.845 -1.622 1.00 0.00 C ATOM 93 O THR A 24 1.059 11.690 -1.630 1.00 0.00 O ATOM 94 CB THR A 24 2.745 11.592 -3.875 1.00 0.00 C ATOM 95 OG1 THR A 24 3.171 11.165 -5.156 1.00 0.00 O ATOM 96 CG2 THR A 24 3.718 12.647 -3.393 1.00 0.00 C ATOM 0 H THR A 24 1.068 9.632 -4.100 1.00 0.00 H new ATOM 0 HA THR A 24 3.617 10.027 -2.685 1.00 0.00 H new ATOM 0 HB THR A 24 1.749 12.033 -3.918 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.242 11.940 -5.752 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.758 13.462 -4.116 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.388 13.033 -2.429 1.00 0.00 H new ATOM 0 HG23 THR A 24 4.709 12.206 -3.287 1.00 0.00 H new ATOM 104 N LEU A 25 2.398 10.270 -0.509 1.00 0.00 N ATOM 105 CA LEU A 25 1.846 10.608 0.798 1.00 0.00 C ATOM 106 C LEU A 25 2.764 11.574 1.538 1.00 0.00 C ATOM 107 O LEU A 25 3.981 11.396 1.560 1.00 0.00 O ATOM 108 CB LEU A 25 1.639 9.343 1.633 1.00 0.00 C ATOM 109 CG LEU A 25 1.080 8.142 0.865 1.00 0.00 C ATOM 110 CD1 LEU A 25 1.551 6.841 1.498 1.00 0.00 C ATOM 111 CD2 LEU A 25 -0.439 8.197 0.825 1.00 0.00 C ATOM 0 H LEU A 25 3.138 9.568 -0.486 1.00 0.00 H new ATOM 0 HA LEU A 25 0.882 11.093 0.644 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.593 9.059 2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.962 9.576 2.455 1.00 0.00 H new ATOM 0 HG LEU A 25 1.453 8.182 -0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.145 5.997 0.940 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.640 6.800 1.477 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.206 6.793 2.531 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.820 7.336 0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.831 8.180 1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.757 9.114 0.329 1.00 0.00 H new ATOM 123 N GLN A 26 2.173 12.598 2.143 1.00 0.00 N ATOM 124 CA GLN A 26 2.939 13.594 2.884 1.00 0.00 C ATOM 125 C GLN A 26 2.986 13.249 4.368 1.00 0.00 C ATOM 126 O GLN A 26 2.020 12.733 4.929 1.00 0.00 O ATOM 127 CB GLN A 26 2.330 14.984 2.692 1.00 0.00 C ATOM 128 CG GLN A 26 2.595 15.581 1.320 1.00 0.00 C ATOM 129 CD GLN A 26 1.530 16.575 0.900 1.00 0.00 C ATOM 130 OE1 GLN A 26 1.218 17.515 1.635 1.00 0.00 O ATOM 131 NE2 GLN A 26 0.965 16.374 -0.283 1.00 0.00 N ATOM 0 H GLN A 26 1.166 12.761 2.135 1.00 0.00 H new ATOM 0 HA GLN A 26 3.958 13.594 2.496 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.253 14.925 2.851 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.728 15.654 3.454 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.566 16.075 1.325 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.649 14.779 0.583 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.254 15.583 -0.858 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.241 17.010 -0.617 1.00 0.00 H new ATOM 140 N LYS A 27 4.119 13.538 5.000 1.00 0.00 N ATOM 141 CA LYS A 27 4.296 13.261 6.420 1.00 0.00 C ATOM 142 C LYS A 27 3.267 14.017 7.255 1.00 0.00 C ATOM 143 O LYS A 27 2.707 15.019 6.809 1.00 0.00 O ATOM 144 CB LYS A 27 5.709 13.643 6.863 1.00 0.00 C ATOM 145 CG LYS A 27 6.794 13.165 5.911 1.00 0.00 C ATOM 146 CD LYS A 27 7.716 12.153 6.573 1.00 0.00 C ATOM 147 CE LYS A 27 8.911 11.823 5.691 1.00 0.00 C ATOM 148 NZ LYS A 27 10.198 12.208 6.335 1.00 0.00 N ATOM 0 H LYS A 27 4.929 13.964 4.550 1.00 0.00 H new ATOM 0 HA LYS A 27 4.150 12.192 6.577 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.771 14.727 6.957 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.896 13.226 7.853 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.334 12.717 5.030 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.378 14.018 5.566 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.065 12.548 7.527 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.160 11.241 6.790 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.919 10.755 5.474 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.813 12.341 4.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.992 11.876 5.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.244 13.243 6.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.258 11.774 7.278 1.00 0.00 H new ATOM 162 N ASP A 28 3.023 13.532 8.468 1.00 0.00 N ATOM 163 CA ASP A 28 2.061 14.163 9.364 1.00 0.00 C ATOM 164 C ASP A 28 2.734 15.233 10.218 1.00 0.00 C ATOM 165 O ASP A 28 3.884 15.600 9.980 1.00 0.00 O ATOM 166 CB ASP A 28 1.404 13.114 10.263 1.00 0.00 C ATOM 167 CG ASP A 28 -0.074 13.379 10.476 1.00 0.00 C ATOM 168 OD1 ASP A 28 -0.729 13.877 9.538 1.00 0.00 O ATOM 169 OD2 ASP A 28 -0.575 13.087 11.582 1.00 0.00 O ATOM 0 H ASP A 28 3.478 12.704 8.853 1.00 0.00 H new ATOM 0 HA ASP A 28 1.293 14.640 8.755 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.533 12.127 9.819 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.910 13.098 11.228 1.00 0.00 H new ATOM 174 N ALA A 29 2.009 15.729 11.215 1.00 0.00 N ATOM 175 CA ALA A 29 2.534 16.757 12.105 1.00 0.00 C ATOM 176 C ALA A 29 3.790 16.273 12.822 1.00 0.00 C ATOM 177 O ALA A 29 4.671 17.065 13.154 1.00 0.00 O ATOM 178 CB ALA A 29 1.475 17.172 13.114 1.00 0.00 C ATOM 0 H ALA A 29 1.055 15.435 11.427 1.00 0.00 H new ATOM 0 HA ALA A 29 2.803 17.623 11.501 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.881 17.940 13.772 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.606 17.567 12.588 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.178 16.307 13.706 1.00 0.00 H new ATOM 184 N GLN A 30 3.865 14.966 13.060 1.00 0.00 N ATOM 185 CA GLN A 30 5.016 14.378 13.739 1.00 0.00 C ATOM 186 C GLN A 30 5.975 13.748 12.734 1.00 0.00 C ATOM 187 O GLN A 30 6.724 12.831 13.070 1.00 0.00 O ATOM 188 CB GLN A 30 4.568 13.321 14.760 1.00 0.00 C ATOM 189 CG GLN A 30 3.077 13.337 15.065 1.00 0.00 C ATOM 190 CD GLN A 30 2.279 12.468 14.115 1.00 0.00 C ATOM 191 OE1 GLN A 30 2.821 11.911 13.161 1.00 0.00 O ATOM 192 NE2 GLN A 30 0.981 12.348 14.372 1.00 0.00 N ATOM 0 H GLN A 30 3.144 14.295 12.793 1.00 0.00 H new ATOM 0 HA GLN A 30 5.534 15.179 14.266 1.00 0.00 H new ATOM 0 HB2 GLN A 30 4.840 12.334 14.386 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.119 13.473 15.688 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.915 12.995 16.087 1.00 0.00 H new ATOM 0 HG3 GLN A 30 2.710 14.362 15.010 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.574 12.828 15.175 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.392 11.776 13.767 1.00 0.00 H new ATOM 201 N ASN A 31 5.948 14.243 11.499 1.00 0.00 N ATOM 202 CA ASN A 31 6.816 13.721 10.448 1.00 0.00 C ATOM 203 C ASN A 31 6.651 12.209 10.310 1.00 0.00 C ATOM 204 O ASN A 31 7.581 11.506 9.915 1.00 0.00 O ATOM 205 CB ASN A 31 8.277 14.060 10.750 1.00 0.00 C ATOM 206 CG ASN A 31 9.060 14.407 9.498 1.00 0.00 C ATOM 207 OD1 ASN A 31 8.646 15.255 8.708 1.00 0.00 O ATOM 208 ND2 ASN A 31 10.197 13.748 9.310 1.00 0.00 N ATOM 0 H ASN A 31 5.336 15.003 11.202 1.00 0.00 H new ATOM 0 HA ASN A 31 6.529 14.189 9.506 1.00 0.00 H new ATOM 0 HB2 ASN A 31 8.317 14.899 11.444 1.00 0.00 H new ATOM 0 HB3 ASN A 31 8.749 13.212 11.247 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.765 13.937 8.484 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.502 13.053 9.991 1.00 0.00 H new ATOM 215 N LEU A 32 5.461 11.718 10.643 1.00 0.00 N ATOM 216 CA LEU A 32 5.172 10.291 10.560 1.00 0.00 C ATOM 217 C LEU A 32 3.921 10.035 9.727 1.00 0.00 C ATOM 218 O LEU A 32 2.801 10.263 10.184 1.00 0.00 O ATOM 219 CB LEU A 32 4.991 9.709 11.964 1.00 0.00 C ATOM 220 CG LEU A 32 6.277 9.584 12.784 1.00 0.00 C ATOM 221 CD1 LEU A 32 5.962 9.590 14.272 1.00 0.00 C ATOM 222 CD2 LEU A 32 7.033 8.322 12.400 1.00 0.00 C ATOM 0 H LEU A 32 4.682 12.288 10.973 1.00 0.00 H new ATOM 0 HA LEU A 32 6.015 9.801 10.073 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.288 10.336 12.513 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.537 8.722 11.876 1.00 0.00 H new ATOM 0 HG LEU A 32 6.912 10.443 12.565 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.888 9.500 14.840 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.464 10.523 14.535 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.308 8.751 14.509 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.945 8.249 12.993 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.406 7.451 12.590 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.291 8.360 11.342 1.00 0.00 H new ATOM 234 N ILE A 33 4.117 9.555 8.503 1.00 0.00 N ATOM 235 CA ILE A 33 3.002 9.266 7.605 1.00 0.00 C ATOM 236 C ILE A 33 1.999 8.320 8.259 1.00 0.00 C ATOM 237 O ILE A 33 0.809 8.346 7.941 1.00 0.00 O ATOM 238 CB ILE A 33 3.487 8.652 6.277 1.00 0.00 C ATOM 239 CG1 ILE A 33 4.526 7.558 6.534 1.00 0.00 C ATOM 240 CG2 ILE A 33 4.063 9.731 5.371 1.00 0.00 C ATOM 241 CD1 ILE A 33 4.931 6.806 5.284 1.00 0.00 C ATOM 0 H ILE A 33 5.037 9.358 8.109 1.00 0.00 H new ATOM 0 HA ILE A 33 2.514 10.218 7.394 1.00 0.00 H new ATOM 0 HB ILE A 33 2.631 8.200 5.776 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.412 8.007 6.982 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.126 6.851 7.261 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.401 9.280 4.438 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.295 10.475 5.158 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.906 10.211 5.868 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.669 6.046 5.540 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.054 6.328 4.847 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.361 7.502 4.564 1.00 0.00 H new ATOM 253 N GLY A 34 2.483 7.490 9.177 1.00 0.00 N ATOM 254 CA GLY A 34 1.611 6.554 9.864 1.00 0.00 C ATOM 255 C GLY A 34 1.405 5.264 9.093 1.00 0.00 C ATOM 256 O GLY A 34 0.355 5.059 8.484 1.00 0.00 O ATOM 0 H GLY A 34 3.463 7.448 9.458 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.033 6.323 10.842 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.644 7.026 10.037 1.00 0.00 H new ATOM 260 N ILE A 35 2.407 4.392 9.126 1.00 0.00 N ATOM 261 CA ILE A 35 2.330 3.111 8.432 1.00 0.00 C ATOM 262 C ILE A 35 3.311 2.106 9.026 1.00 0.00 C ATOM 263 O ILE A 35 4.482 2.420 9.241 1.00 0.00 O ATOM 264 CB ILE A 35 2.622 3.261 6.927 1.00 0.00 C ATOM 265 CG1 ILE A 35 3.941 4.003 6.712 1.00 0.00 C ATOM 266 CG2 ILE A 35 1.480 3.990 6.233 1.00 0.00 C ATOM 267 CD1 ILE A 35 4.752 3.471 5.551 1.00 0.00 C ATOM 0 H ILE A 35 3.282 4.549 9.626 1.00 0.00 H new ATOM 0 HA ILE A 35 1.311 2.747 8.561 1.00 0.00 H new ATOM 0 HB ILE A 35 2.710 2.266 6.490 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.731 5.059 6.544 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.538 3.937 7.622 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.703 4.087 5.170 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.557 3.424 6.360 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.361 4.981 6.671 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.674 4.045 5.458 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.993 2.422 5.726 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.174 3.562 4.631 1.00 0.00 H new ATOM 279 N SER A 36 2.825 0.900 9.292 1.00 0.00 N ATOM 280 CA SER A 36 3.660 -0.150 9.860 1.00 0.00 C ATOM 281 C SER A 36 4.165 -1.091 8.771 1.00 0.00 C ATOM 282 O SER A 36 3.525 -1.253 7.731 1.00 0.00 O ATOM 283 CB SER A 36 2.879 -0.938 10.913 1.00 0.00 C ATOM 284 OG SER A 36 3.589 -2.096 11.317 1.00 0.00 O ATOM 0 H SER A 36 1.857 0.625 9.123 1.00 0.00 H new ATOM 0 HA SER A 36 4.521 0.320 10.335 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.689 -0.304 11.779 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.908 -1.226 10.510 1.00 0.00 H new ATOM 0 HG SER A 36 3.068 -2.580 11.991 1.00 0.00 H new ATOM 290 N ILE A 37 5.315 -1.709 9.015 1.00 0.00 N ATOM 291 CA ILE A 37 5.903 -2.635 8.053 1.00 0.00 C ATOM 292 C ILE A 37 6.595 -3.795 8.758 1.00 0.00 C ATOM 293 O ILE A 37 6.816 -3.757 9.968 1.00 0.00 O ATOM 294 CB ILE A 37 6.921 -1.922 7.141 1.00 0.00 C ATOM 295 CG1 ILE A 37 7.892 -1.087 7.975 1.00 0.00 C ATOM 296 CG2 ILE A 37 6.202 -1.050 6.124 1.00 0.00 C ATOM 297 CD1 ILE A 37 9.265 -0.955 7.352 1.00 0.00 C ATOM 0 H ILE A 37 5.858 -1.586 9.869 1.00 0.00 H new ATOM 0 HA ILE A 37 5.086 -3.021 7.444 1.00 0.00 H new ATOM 0 HB ILE A 37 7.493 -2.678 6.603 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.471 -0.092 8.121 1.00 0.00 H new ATOM 0 HG13 ILE A 37 7.992 -1.538 8.962 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.935 -0.554 5.488 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.549 -1.670 5.510 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.606 -0.300 6.644 1.00 0.00 H new ATOM 0 HD11 ILE A 37 9.901 -0.350 7.998 1.00 0.00 H new ATOM 0 HD12 ILE A 37 9.707 -1.944 7.232 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.178 -0.476 6.377 1.00 0.00 H new ATOM 309 N GLY A 38 6.935 -4.827 7.993 1.00 0.00 N ATOM 310 CA GLY A 38 7.600 -5.986 8.560 1.00 0.00 C ATOM 311 C GLY A 38 8.345 -6.795 7.517 1.00 0.00 C ATOM 312 O GLY A 38 7.738 -7.344 6.598 1.00 0.00 O ATOM 0 H GLY A 38 6.762 -4.882 6.989 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.299 -5.659 9.330 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.862 -6.621 9.049 1.00 0.00 H new ATOM 316 N GLY A 39 9.664 -6.871 7.662 1.00 0.00 N ATOM 317 CA GLY A 39 10.471 -7.620 6.718 1.00 0.00 C ATOM 318 C GLY A 39 11.903 -7.786 7.185 1.00 0.00 C ATOM 319 O GLY A 39 12.353 -7.087 8.094 1.00 0.00 O ATOM 0 H GLY A 39 10.188 -6.427 8.416 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.026 -8.603 6.564 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.463 -7.112 5.754 1.00 0.00 H new ATOM 414 N LEU A 47 9.570 -7.382 1.972 1.00 0.00 N ATOM 415 CA LEU A 47 9.045 -6.376 2.888 1.00 0.00 C ATOM 416 C LEU A 47 7.537 -6.221 2.714 1.00 0.00 C ATOM 417 O LEU A 47 7.050 -6.009 1.603 1.00 0.00 O ATOM 418 CB LEU A 47 9.742 -5.032 2.658 1.00 0.00 C ATOM 419 CG LEU A 47 10.449 -4.451 3.884 1.00 0.00 C ATOM 420 CD1 LEU A 47 11.788 -5.137 4.104 1.00 0.00 C ATOM 421 CD2 LEU A 47 10.638 -2.949 3.728 1.00 0.00 C ATOM 0 HA LEU A 47 9.243 -6.707 3.908 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.473 -5.151 1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.002 -4.312 2.309 1.00 0.00 H new ATOM 0 HG LEU A 47 9.824 -4.631 4.759 1.00 0.00 H new ATOM 0 HD11 LEU A 47 12.276 -4.710 4.980 1.00 0.00 H new ATOM 0 HD12 LEU A 47 11.629 -6.204 4.261 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.421 -4.989 3.229 1.00 0.00 H new ATOM 0 HD21 LEU A 47 11.142 -2.552 4.609 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.242 -2.748 2.843 1.00 0.00 H new ATOM 0 HD23 LEU A 47 9.665 -2.469 3.620 1.00 0.00 H new ATOM 433 N TYR A 48 6.803 -6.329 3.817 1.00 0.00 N ATOM 434 CA TYR A 48 5.350 -6.203 3.782 1.00 0.00 C ATOM 435 C TYR A 48 4.884 -4.998 4.592 1.00 0.00 C ATOM 436 O TYR A 48 5.664 -4.391 5.327 1.00 0.00 O ATOM 437 CB TYR A 48 4.695 -7.476 4.319 1.00 0.00 C ATOM 438 CG TYR A 48 4.473 -8.536 3.264 1.00 0.00 C ATOM 439 CD1 TYR A 48 3.315 -8.549 2.499 1.00 0.00 C ATOM 440 CD2 TYR A 48 5.423 -9.524 3.034 1.00 0.00 C ATOM 441 CE1 TYR A 48 3.108 -9.516 1.533 1.00 0.00 C ATOM 442 CE2 TYR A 48 5.224 -10.494 2.071 1.00 0.00 C ATOM 443 CZ TYR A 48 4.066 -10.486 1.323 1.00 0.00 C ATOM 444 OH TYR A 48 3.864 -11.450 0.363 1.00 0.00 O ATOM 0 H TYR A 48 7.190 -6.503 4.745 1.00 0.00 H new ATOM 0 HA TYR A 48 5.050 -6.056 2.744 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.320 -7.889 5.111 1.00 0.00 H new ATOM 0 HB3 TYR A 48 3.737 -7.219 4.770 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.563 -7.791 2.661 1.00 0.00 H new ATOM 0 HD2 TYR A 48 6.332 -9.533 3.618 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.201 -9.512 0.946 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.972 -11.255 1.905 1.00 0.00 H new ATOM 0 HH TYR A 48 4.634 -12.056 0.341 1.00 0.00 H new ATOM 454 N ILE A 49 3.606 -4.658 4.454 1.00 0.00 N ATOM 455 CA ILE A 49 3.031 -3.528 5.172 1.00 0.00 C ATOM 456 C ILE A 49 1.920 -3.985 6.110 1.00 0.00 C ATOM 457 O ILE A 49 1.086 -4.815 5.745 1.00 0.00 O ATOM 458 CB ILE A 49 2.466 -2.475 4.200 1.00 0.00 C ATOM 459 CG1 ILE A 49 3.510 -2.110 3.143 1.00 0.00 C ATOM 460 CG2 ILE A 49 2.019 -1.234 4.960 1.00 0.00 C ATOM 461 CD1 ILE A 49 2.958 -1.272 2.012 1.00 0.00 C ATOM 0 H ILE A 49 2.948 -5.151 3.850 1.00 0.00 H new ATOM 0 HA ILE A 49 3.835 -3.079 5.755 1.00 0.00 H new ATOM 0 HB ILE A 49 1.598 -2.900 3.696 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.325 -1.568 3.622 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.934 -3.026 2.732 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.623 -0.500 4.258 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.244 -1.506 5.677 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.870 -0.806 5.490 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.754 -1.051 1.301 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.162 -1.820 1.508 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.559 -0.339 2.411 1.00 0.00 H new ATOM 473 N VAL A 50 1.912 -3.437 7.321 1.00 0.00 N ATOM 474 CA VAL A 50 0.901 -3.787 8.313 1.00 0.00 C ATOM 475 C VAL A 50 -0.116 -2.661 8.472 1.00 0.00 C ATOM 476 O VAL A 50 0.103 -1.546 7.998 1.00 0.00 O ATOM 477 CB VAL A 50 1.537 -4.095 9.685 1.00 0.00 C ATOM 478 CG1 VAL A 50 0.581 -4.903 10.550 1.00 0.00 C ATOM 479 CG2 VAL A 50 2.857 -4.833 9.516 1.00 0.00 C ATOM 0 H VAL A 50 2.594 -2.749 7.639 1.00 0.00 H new ATOM 0 HA VAL A 50 0.396 -4.683 7.952 1.00 0.00 H new ATOM 0 HB VAL A 50 1.738 -3.148 10.186 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.048 -5.110 11.513 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.336 -4.336 10.706 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.346 -5.843 10.051 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.287 -5.039 10.496 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.684 -5.772 8.991 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.547 -4.217 8.940 1.00 0.00 H new ATOM 489 N GLN A 51 -1.231 -2.959 9.137 1.00 0.00 N ATOM 490 CA GLN A 51 -2.287 -1.973 9.356 1.00 0.00 C ATOM 491 C GLN A 51 -1.716 -0.631 9.806 1.00 0.00 C ATOM 492 O GLN A 51 -0.695 -0.577 10.492 1.00 0.00 O ATOM 493 CB GLN A 51 -3.278 -2.487 10.402 1.00 0.00 C ATOM 494 CG GLN A 51 -2.671 -2.659 11.785 1.00 0.00 C ATOM 495 CD GLN A 51 -3.226 -3.861 12.521 1.00 0.00 C ATOM 496 OE1 GLN A 51 -2.554 -4.883 12.660 1.00 0.00 O ATOM 497 NE2 GLN A 51 -4.461 -3.746 12.995 1.00 0.00 N ATOM 0 H GLN A 51 -1.426 -3.878 9.534 1.00 0.00 H new ATOM 0 HA GLN A 51 -2.801 -1.822 8.407 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.117 -1.794 10.467 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.680 -3.444 10.070 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.590 -2.762 11.693 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.857 -1.760 12.373 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.982 -2.880 12.857 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.889 -4.524 13.497 1.00 0.00 H new ATOM 506 N VAL A 52 -2.383 0.451 9.414 1.00 0.00 N ATOM 507 CA VAL A 52 -1.944 1.792 9.776 1.00 0.00 C ATOM 508 C VAL A 52 -2.702 2.304 10.996 1.00 0.00 C ATOM 509 O VAL A 52 -3.502 1.580 11.590 1.00 0.00 O ATOM 510 CB VAL A 52 -2.138 2.783 8.611 1.00 0.00 C ATOM 511 CG1 VAL A 52 -1.380 2.315 7.378 1.00 0.00 C ATOM 512 CG2 VAL A 52 -3.617 2.967 8.296 1.00 0.00 C ATOM 0 H VAL A 52 -3.229 0.424 8.846 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.882 1.725 10.011 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.734 3.749 8.916 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.529 3.028 6.567 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.317 2.246 7.609 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.750 1.336 7.073 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.728 3.670 7.471 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.051 2.007 8.016 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.131 3.355 9.176 1.00 0.00 H new ATOM 522 N PHE A 53 -2.450 3.556 11.362 1.00 0.00 N ATOM 523 CA PHE A 53 -3.112 4.164 12.508 1.00 0.00 C ATOM 524 C PHE A 53 -4.058 5.271 12.055 1.00 0.00 C ATOM 525 O PHE A 53 -3.804 5.949 11.061 1.00 0.00 O ATOM 526 CB PHE A 53 -2.078 4.722 13.486 1.00 0.00 C ATOM 527 CG PHE A 53 -1.380 3.658 14.284 1.00 0.00 C ATOM 528 CD1 PHE A 53 -0.483 2.795 13.675 1.00 0.00 C ATOM 529 CD2 PHE A 53 -1.623 3.520 15.640 1.00 0.00 C ATOM 530 CE1 PHE A 53 0.160 1.814 14.407 1.00 0.00 C ATOM 531 CE2 PHE A 53 -0.985 2.540 16.377 1.00 0.00 C ATOM 532 CZ PHE A 53 -0.092 1.685 15.758 1.00 0.00 C ATOM 0 H PHE A 53 -1.792 4.169 10.881 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.695 3.395 13.015 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.336 5.296 12.931 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.571 5.414 14.169 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.284 2.890 12.618 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.319 4.186 16.128 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.859 1.149 13.922 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.184 2.442 17.434 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.408 0.918 16.331 1.00 0.00 H new ATOM 542 N ASP A 54 -5.153 5.444 12.786 1.00 0.00 N ATOM 543 CA ASP A 54 -6.138 6.465 12.451 1.00 0.00 C ATOM 544 C ASP A 54 -5.542 7.863 12.579 1.00 0.00 C ATOM 545 O ASP A 54 -4.535 8.062 13.257 1.00 0.00 O ATOM 546 CB ASP A 54 -7.365 6.335 13.354 1.00 0.00 C ATOM 547 CG ASP A 54 -8.469 5.518 12.714 1.00 0.00 C ATOM 548 OD1 ASP A 54 -8.722 5.704 11.505 1.00 0.00 O ATOM 549 OD2 ASP A 54 -9.084 4.691 13.422 1.00 0.00 O ATOM 0 H ASP A 54 -5.381 4.892 13.613 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.441 6.315 11.415 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.072 5.871 14.296 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.744 7.329 13.593 1.00 0.00 H new ATOM 554 N ASN A 55 -6.179 8.830 11.924 1.00 0.00 N ATOM 555 CA ASN A 55 -5.725 10.217 11.959 1.00 0.00 C ATOM 556 C ASN A 55 -4.379 10.387 11.257 1.00 0.00 C ATOM 557 O ASN A 55 -3.709 11.404 11.428 1.00 0.00 O ATOM 558 CB ASN A 55 -5.623 10.708 13.405 1.00 0.00 C ATOM 559 CG ASN A 55 -6.914 10.516 14.174 1.00 0.00 C ATOM 560 OD1 ASN A 55 -7.043 9.374 14.839 1.00 0.00 O flip ATOM 561 ND2 ASN A 55 -7.786 11.385 14.173 1.00 0.00 N flip ATOM 0 H ASN A 55 -7.015 8.677 11.360 1.00 0.00 H new ATOM 0 HA ASN A 55 -6.462 10.817 11.425 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.819 10.173 13.911 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.355 11.765 13.409 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.645 12.248 13.648 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.649 11.242 14.697 1.00 0.00 H new ATOM 568 N THR A 56 -3.987 9.394 10.462 1.00 0.00 N ATOM 569 CA THR A 56 -2.723 9.457 9.737 1.00 0.00 C ATOM 570 C THR A 56 -2.967 9.766 8.264 1.00 0.00 C ATOM 571 O THR A 56 -4.013 9.421 7.717 1.00 0.00 O ATOM 572 CB THR A 56 -1.958 8.140 9.874 1.00 0.00 C ATOM 573 OG1 THR A 56 -2.643 7.091 9.214 1.00 0.00 O ATOM 574 CG2 THR A 56 -1.745 7.719 11.312 1.00 0.00 C ATOM 0 H THR A 56 -4.524 8.541 10.305 1.00 0.00 H new ATOM 0 HA THR A 56 -2.123 10.257 10.170 1.00 0.00 H new ATOM 0 HB THR A 56 -0.985 8.322 9.419 1.00 0.00 H new ATOM 0 HG1 THR A 56 -3.355 6.749 9.794 1.00 0.00 H new ATOM 0 HG21 THR A 56 -1.196 6.777 11.338 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.174 8.486 11.835 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.711 7.590 11.800 1.00 0.00 H new ATOM 582 N PRO A 57 -2.003 10.420 7.596 1.00 0.00 N ATOM 583 CA PRO A 57 -2.127 10.769 6.178 1.00 0.00 C ATOM 584 C PRO A 57 -2.286 9.535 5.296 1.00 0.00 C ATOM 585 O PRO A 57 -2.949 9.580 4.260 1.00 0.00 O ATOM 586 CB PRO A 57 -0.812 11.493 5.859 1.00 0.00 C ATOM 587 CG PRO A 57 0.127 11.093 6.947 1.00 0.00 C ATOM 588 CD PRO A 57 -0.722 10.869 8.165 1.00 0.00 C ATOM 0 HA PRO A 57 -3.011 11.377 5.986 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.429 11.202 4.881 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.952 12.574 5.837 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.672 10.188 6.679 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.870 11.870 7.127 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.289 10.119 8.827 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.838 11.781 8.750 1.00 0.00 H new ATOM 596 N ALA A 58 -1.672 8.434 5.716 1.00 0.00 N ATOM 597 CA ALA A 58 -1.746 7.185 4.969 1.00 0.00 C ATOM 598 C ALA A 58 -3.115 6.531 5.121 1.00 0.00 C ATOM 599 O ALA A 58 -3.647 5.954 4.172 1.00 0.00 O ATOM 600 CB ALA A 58 -0.652 6.233 5.426 1.00 0.00 C ATOM 0 H ALA A 58 -1.117 8.382 6.570 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.599 7.414 3.914 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.718 5.304 4.860 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.323 6.691 5.258 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.775 6.021 6.488 1.00 0.00 H new ATOM 606 N ALA A 59 -3.683 6.628 6.318 1.00 0.00 N ATOM 607 CA ALA A 59 -4.991 6.047 6.594 1.00 0.00 C ATOM 608 C ALA A 59 -6.107 6.915 6.025 1.00 0.00 C ATOM 609 O ALA A 59 -7.017 6.418 5.361 1.00 0.00 O ATOM 610 CB ALA A 59 -5.179 5.856 8.092 1.00 0.00 C ATOM 0 H ALA A 59 -3.257 7.104 7.113 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.039 5.073 6.107 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.160 5.421 8.283 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.406 5.189 8.474 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.106 6.821 8.594 1.00 0.00 H new ATOM 616 N LEU A 60 -6.030 8.215 6.288 1.00 0.00 N ATOM 617 CA LEU A 60 -7.032 9.157 5.804 1.00 0.00 C ATOM 618 C LEU A 60 -7.123 9.121 4.281 1.00 0.00 C ATOM 619 O LEU A 60 -8.213 9.024 3.716 1.00 0.00 O ATOM 620 CB LEU A 60 -6.699 10.575 6.271 1.00 0.00 C ATOM 621 CG LEU A 60 -6.676 10.772 7.788 1.00 0.00 C ATOM 622 CD1 LEU A 60 -5.998 12.085 8.145 1.00 0.00 C ATOM 623 CD2 LEU A 60 -8.090 10.730 8.352 1.00 0.00 C ATOM 0 H LEU A 60 -5.282 8.641 6.835 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.997 8.863 6.216 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.725 10.853 5.870 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.428 11.262 5.842 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.103 9.958 8.233 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.991 12.208 9.228 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.973 12.078 7.774 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.543 12.912 7.689 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.055 10.872 9.432 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.685 11.524 7.901 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.543 9.764 8.127 1.00 0.00 H new ATOM 635 N ASP A 61 -5.971 9.200 3.621 1.00 0.00 N ATOM 636 CA ASP A 61 -5.922 9.176 2.165 1.00 0.00 C ATOM 637 C ASP A 61 -6.445 7.848 1.624 1.00 0.00 C ATOM 638 O ASP A 61 -7.055 7.798 0.557 1.00 0.00 O ATOM 639 CB ASP A 61 -4.492 9.412 1.677 1.00 0.00 C ATOM 640 CG ASP A 61 -4.447 10.006 0.283 1.00 0.00 C ATOM 641 OD1 ASP A 61 -4.542 9.236 -0.695 1.00 0.00 O ATOM 642 OD2 ASP A 61 -4.317 11.245 0.169 1.00 0.00 O ATOM 0 H ASP A 61 -5.060 9.281 4.072 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.561 9.976 1.792 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.980 10.080 2.370 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.948 8.467 1.684 1.00 0.00 H new ATOM 647 N GLY A 62 -6.199 6.775 2.368 1.00 0.00 N ATOM 648 CA GLY A 62 -6.651 5.463 1.949 1.00 0.00 C ATOM 649 C GLY A 62 -5.884 4.941 0.750 1.00 0.00 C ATOM 650 O GLY A 62 -6.419 4.874 -0.357 1.00 0.00 O ATOM 0 H GLY A 62 -5.694 6.791 3.254 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.544 4.763 2.778 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.713 5.508 1.706 1.00 0.00 H new ATOM 654 N THR A 63 -4.626 4.572 0.969 1.00 0.00 N ATOM 655 CA THR A 63 -3.783 4.056 -0.102 1.00 0.00 C ATOM 656 C THR A 63 -2.900 2.918 0.401 1.00 0.00 C ATOM 657 O THR A 63 -3.009 1.783 -0.062 1.00 0.00 O ATOM 658 CB THR A 63 -2.915 5.174 -0.681 1.00 0.00 C ATOM 659 OG1 THR A 63 -3.552 6.430 -0.537 1.00 0.00 O ATOM 660 CG2 THR A 63 -2.597 4.986 -2.149 1.00 0.00 C ATOM 0 H THR A 63 -4.168 4.621 1.879 1.00 0.00 H new ATOM 0 HA THR A 63 -4.433 3.668 -0.887 1.00 0.00 H new ATOM 0 HB THR A 63 -1.983 5.137 -0.116 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.408 6.964 -1.346 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.979 5.814 -2.496 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.059 4.048 -2.288 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.524 4.961 -2.722 1.00 0.00 H new ATOM 668 N VAL A 64 -2.025 3.231 1.352 1.00 0.00 N ATOM 669 CA VAL A 64 -1.123 2.236 1.918 1.00 0.00 C ATOM 670 C VAL A 64 -1.675 1.676 3.225 1.00 0.00 C ATOM 671 O VAL A 64 -2.121 2.425 4.094 1.00 0.00 O ATOM 672 CB VAL A 64 0.276 2.827 2.177 1.00 0.00 C ATOM 673 CG1 VAL A 64 0.991 3.106 0.862 1.00 0.00 C ATOM 674 CG2 VAL A 64 0.174 4.090 3.019 1.00 0.00 C ATOM 0 H VAL A 64 -1.922 4.166 1.746 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.039 1.432 1.186 1.00 0.00 H new ATOM 0 HB VAL A 64 0.863 2.096 2.732 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.977 3.523 1.065 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.098 2.177 0.302 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.410 3.818 0.276 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.172 4.494 3.192 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.431 4.830 2.494 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.292 3.853 3.975 1.00 0.00 H new ATOM 684 N ALA A 65 -1.639 0.354 3.357 1.00 0.00 N ATOM 685 CA ALA A 65 -2.135 -0.307 4.558 1.00 0.00 C ATOM 686 C ALA A 65 -1.779 -1.790 4.555 1.00 0.00 C ATOM 687 O ALA A 65 -1.002 -2.250 3.717 1.00 0.00 O ATOM 688 CB ALA A 65 -3.640 -0.123 4.677 1.00 0.00 C ATOM 0 H ALA A 65 -1.272 -0.280 2.647 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.655 0.153 5.422 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.997 -0.621 5.578 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.873 0.940 4.734 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.130 -0.556 3.805 1.00 0.00 H new ATOM 694 N ALA A 66 -2.353 -2.533 5.494 1.00 0.00 N ATOM 695 CA ALA A 66 -2.097 -3.964 5.600 1.00 0.00 C ATOM 696 C ALA A 66 -2.631 -4.705 4.378 1.00 0.00 C ATOM 697 O ALA A 66 -3.837 -4.745 4.141 1.00 0.00 O ATOM 698 CB ALA A 66 -2.717 -4.520 6.872 1.00 0.00 C ATOM 0 H ALA A 66 -2.999 -2.168 6.193 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.018 -4.115 5.643 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.517 -5.590 6.937 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.285 -4.017 7.737 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.794 -4.352 6.855 1.00 0.00 H new ATOM 704 N GLY A 67 -1.722 -5.294 3.607 1.00 0.00 N ATOM 705 CA GLY A 67 -2.120 -6.026 2.418 1.00 0.00 C ATOM 706 C GLY A 67 -1.237 -5.720 1.225 1.00 0.00 C ATOM 707 O GLY A 67 -0.880 -6.617 0.461 1.00 0.00 O ATOM 0 H GLY A 67 -0.718 -5.278 3.784 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.087 -7.096 2.626 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.153 -5.781 2.173 1.00 0.00 H new ATOM 711 N ASP A 68 -0.882 -4.449 1.065 1.00 0.00 N ATOM 712 CA ASP A 68 -0.033 -4.027 -0.043 1.00 0.00 C ATOM 713 C ASP A 68 1.434 -4.327 0.248 1.00 0.00 C ATOM 714 O ASP A 68 1.828 -4.477 1.406 1.00 0.00 O ATOM 715 CB ASP A 68 -0.217 -2.532 -0.312 1.00 0.00 C ATOM 716 CG ASP A 68 -1.667 -2.161 -0.547 1.00 0.00 C ATOM 717 OD1 ASP A 68 -2.429 -3.024 -1.036 1.00 0.00 O ATOM 718 OD2 ASP A 68 -2.043 -1.010 -0.242 1.00 0.00 O ATOM 0 H ASP A 68 -1.169 -3.694 1.688 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.329 -4.588 -0.929 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.168 -1.963 0.534 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.374 -2.247 -1.183 1.00 0.00 H new ATOM 723 N GLU A 69 2.236 -4.416 -0.807 1.00 0.00 N ATOM 724 CA GLU A 69 3.660 -4.698 -0.662 1.00 0.00 C ATOM 725 C GLU A 69 4.501 -3.512 -1.123 1.00 0.00 C ATOM 726 O GLU A 69 4.489 -3.149 -2.299 1.00 0.00 O ATOM 727 CB GLU A 69 4.037 -5.946 -1.462 1.00 0.00 C ATOM 728 CG GLU A 69 5.466 -6.406 -1.232 1.00 0.00 C ATOM 729 CD GLU A 69 6.100 -6.988 -2.481 1.00 0.00 C ATOM 730 OE1 GLU A 69 6.119 -6.289 -3.516 1.00 0.00 O ATOM 731 OE2 GLU A 69 6.579 -8.139 -2.424 1.00 0.00 O ATOM 0 H GLU A 69 1.925 -4.297 -1.771 1.00 0.00 H new ATOM 0 HA GLU A 69 3.864 -4.875 0.394 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.357 -6.756 -1.199 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.896 -5.743 -2.524 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.064 -5.563 -0.885 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.480 -7.154 -0.440 1.00 0.00 H new ATOM 738 N ILE A 70 5.230 -2.912 -0.188 1.00 0.00 N ATOM 739 CA ILE A 70 6.078 -1.768 -0.496 1.00 0.00 C ATOM 740 C ILE A 70 7.278 -2.187 -1.341 1.00 0.00 C ATOM 741 O ILE A 70 7.766 -3.312 -1.227 1.00 0.00 O ATOM 742 CB ILE A 70 6.577 -1.076 0.789 1.00 0.00 C ATOM 743 CG1 ILE A 70 7.378 0.181 0.444 1.00 0.00 C ATOM 744 CG2 ILE A 70 7.418 -2.036 1.618 1.00 0.00 C ATOM 745 CD1 ILE A 70 7.526 1.141 1.604 1.00 0.00 C ATOM 0 H ILE A 70 5.250 -3.200 0.790 1.00 0.00 H new ATOM 0 HA ILE A 70 5.469 -1.063 -1.062 1.00 0.00 H new ATOM 0 HB ILE A 70 5.711 -0.779 1.380 1.00 0.00 H new ATOM 0 HG12 ILE A 70 8.369 -0.113 0.098 1.00 0.00 H new ATOM 0 HG13 ILE A 70 6.891 0.696 -0.384 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.762 -1.532 2.521 1.00 0.00 H new ATOM 0 HG22 ILE A 70 6.816 -2.902 1.893 1.00 0.00 H new ATOM 0 HG23 ILE A 70 8.279 -2.363 1.035 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.105 2.009 1.287 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.540 1.465 1.937 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.040 0.642 2.426 1.00 0.00 H new ATOM 757 N THR A 71 7.747 -1.277 -2.188 1.00 0.00 N ATOM 758 CA THR A 71 8.889 -1.556 -3.050 1.00 0.00 C ATOM 759 C THR A 71 9.416 -0.274 -3.689 1.00 0.00 C ATOM 760 O THR A 71 9.811 -0.267 -4.855 1.00 0.00 O ATOM 761 CB THR A 71 8.502 -2.560 -4.137 1.00 0.00 C ATOM 762 OG1 THR A 71 9.558 -2.729 -5.065 1.00 0.00 O ATOM 763 CG2 THR A 71 7.269 -2.153 -4.915 1.00 0.00 C ATOM 0 H THR A 71 7.355 -0.342 -2.296 1.00 0.00 H new ATOM 0 HA THR A 71 9.680 -1.985 -2.434 1.00 0.00 H new ATOM 0 HB THR A 71 8.290 -3.489 -3.608 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.772 -1.866 -5.478 1.00 0.00 H new ATOM 0 HG21 THR A 71 7.049 -2.908 -5.670 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.422 -2.063 -4.234 1.00 0.00 H new ATOM 0 HG23 THR A 71 7.446 -1.194 -5.402 1.00 0.00 H new ATOM 771 N GLY A 72 9.421 0.808 -2.918 1.00 0.00 N ATOM 772 CA GLY A 72 9.903 2.078 -3.429 1.00 0.00 C ATOM 773 C GLY A 72 9.599 3.235 -2.496 1.00 0.00 C ATOM 774 O GLY A 72 8.595 3.220 -1.785 1.00 0.00 O ATOM 0 H GLY A 72 9.100 0.829 -1.950 1.00 0.00 H new ATOM 0 HA2 GLY A 72 10.980 2.017 -3.587 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.449 2.271 -4.401 1.00 0.00 H new ATOM 778 N VAL A 73 10.469 4.240 -2.502 1.00 0.00 N ATOM 779 CA VAL A 73 10.290 5.413 -1.653 1.00 0.00 C ATOM 780 C VAL A 73 10.991 6.631 -2.248 1.00 0.00 C ATOM 781 O VAL A 73 12.216 6.653 -2.375 1.00 0.00 O ATOM 782 CB VAL A 73 10.827 5.161 -0.230 1.00 0.00 C ATOM 783 CG1 VAL A 73 12.319 4.864 -0.264 1.00 0.00 C ATOM 784 CG2 VAL A 73 10.532 6.349 0.675 1.00 0.00 C ATOM 0 H VAL A 73 11.305 4.266 -3.085 1.00 0.00 H new ATOM 0 HA VAL A 73 9.219 5.608 -1.597 1.00 0.00 H new ATOM 0 HB VAL A 73 10.316 4.289 0.179 1.00 0.00 H new ATOM 0 HG11 VAL A 73 12.678 4.689 0.750 1.00 0.00 H new ATOM 0 HG12 VAL A 73 12.500 3.977 -0.871 1.00 0.00 H new ATOM 0 HG13 VAL A 73 12.849 5.713 -0.695 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.919 6.150 1.674 1.00 0.00 H new ATOM 0 HG22 VAL A 73 11.010 7.241 0.271 1.00 0.00 H new ATOM 0 HG23 VAL A 73 9.455 6.507 0.728 1.00 0.00 H new ATOM 794 N ASN A 74 10.209 7.641 -2.611 1.00 0.00 N ATOM 795 CA ASN A 74 10.754 8.861 -3.193 1.00 0.00 C ATOM 796 C ASN A 74 11.493 8.564 -4.494 1.00 0.00 C ATOM 797 O ASN A 74 12.413 9.288 -4.877 1.00 0.00 O ATOM 798 CB ASN A 74 11.696 9.547 -2.202 1.00 0.00 C ATOM 799 CG ASN A 74 11.675 11.057 -2.333 1.00 0.00 C ATOM 800 OD1 ASN A 74 10.529 11.660 -2.034 1.00 0.00 O flip ATOM 801 ND2 ASN A 74 12.675 11.675 -2.698 1.00 0.00 N flip ATOM 0 H ASN A 74 9.194 7.639 -2.512 1.00 0.00 H new ATOM 0 HA ASN A 74 9.922 9.529 -3.416 1.00 0.00 H new ATOM 0 HB2 ASN A 74 11.415 9.270 -1.186 1.00 0.00 H new ATOM 0 HB3 ASN A 74 12.712 9.186 -2.361 1.00 0.00 H new ATOM 0 HD21 ASN A 74 13.534 11.171 -2.917 1.00 0.00 H new ATOM 0 HD22 ASN A 74 12.644 12.691 -2.781 1.00 0.00 H new ATOM 808 N GLY A 75 11.085 7.494 -5.172 1.00 0.00 N ATOM 809 CA GLY A 75 11.721 7.122 -6.422 1.00 0.00 C ATOM 810 C GLY A 75 12.804 6.078 -6.236 1.00 0.00 C ATOM 811 O GLY A 75 13.088 5.300 -7.147 1.00 0.00 O ATOM 0 H GLY A 75 10.326 6.879 -4.877 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.967 6.739 -7.110 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.153 8.010 -6.884 1.00 0.00 H new ATOM 815 N ARG A 76 13.413 6.062 -5.055 1.00 0.00 N ATOM 816 CA ARG A 76 14.473 5.107 -4.753 1.00 0.00 C ATOM 817 C ARG A 76 13.899 3.710 -4.527 1.00 0.00 C ATOM 818 O ARG A 76 12.706 3.554 -4.268 1.00 0.00 O ATOM 819 CB ARG A 76 15.259 5.558 -3.520 1.00 0.00 C ATOM 820 CG ARG A 76 16.759 5.648 -3.755 1.00 0.00 C ATOM 821 CD ARG A 76 17.500 4.511 -3.070 1.00 0.00 C ATOM 822 NE ARG A 76 18.862 4.890 -2.701 1.00 0.00 N ATOM 823 CZ ARG A 76 19.880 4.927 -3.558 1.00 0.00 C ATOM 824 NH1 ARG A 76 19.694 4.611 -4.834 1.00 0.00 N ATOM 825 NH2 ARG A 76 21.087 5.283 -3.140 1.00 0.00 N ATOM 0 H ARG A 76 13.190 6.700 -4.291 1.00 0.00 H new ATOM 0 HA ARG A 76 15.148 5.067 -5.608 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.890 6.533 -3.201 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.069 4.862 -2.703 1.00 0.00 H new ATOM 0 HG2 ARG A 76 16.963 5.623 -4.826 1.00 0.00 H new ATOM 0 HG3 ARG A 76 17.130 6.602 -3.382 1.00 0.00 H new ATOM 0 HD2 ARG A 76 16.953 4.208 -2.177 1.00 0.00 H new ATOM 0 HD3 ARG A 76 17.531 3.647 -3.733 1.00 0.00 H new ATOM 0 HE ARG A 76 19.044 5.141 -1.729 1.00 0.00 H new ATOM 0 HH11 ARG A 76 18.768 4.338 -5.162 1.00 0.00 H new ATOM 0 HH12 ARG A 76 20.478 4.641 -5.486 1.00 0.00 H new ATOM 0 HH21 ARG A 76 21.236 5.529 -2.161 1.00 0.00 H new ATOM 0 HH22 ARG A 76 21.867 5.311 -3.797 1.00 0.00 H new ATOM 839 N SER A 77 14.757 2.700 -4.629 1.00 0.00 N ATOM 840 CA SER A 77 14.335 1.317 -4.436 1.00 0.00 C ATOM 841 C SER A 77 14.649 0.844 -3.020 1.00 0.00 C ATOM 842 O SER A 77 15.696 1.175 -2.461 1.00 0.00 O ATOM 843 CB SER A 77 15.023 0.406 -5.453 1.00 0.00 C ATOM 844 OG SER A 77 14.796 -0.960 -5.153 1.00 0.00 O ATOM 0 H SER A 77 15.748 2.813 -4.844 1.00 0.00 H new ATOM 0 HA SER A 77 13.256 1.269 -4.585 1.00 0.00 H new ATOM 0 HB2 SER A 77 14.652 0.628 -6.454 1.00 0.00 H new ATOM 0 HB3 SER A 77 16.094 0.607 -5.459 1.00 0.00 H new ATOM 0 HG SER A 77 15.245 -1.520 -5.820 1.00 0.00 H new ATOM 850 N ILE A 78 13.737 0.068 -2.445 1.00 0.00 N ATOM 851 CA ILE A 78 13.916 -0.452 -1.095 1.00 0.00 C ATOM 852 C ILE A 78 14.098 -1.968 -1.097 1.00 0.00 C ATOM 853 O ILE A 78 14.544 -2.546 -0.106 1.00 0.00 O ATOM 854 CB ILE A 78 12.721 -0.093 -0.192 1.00 0.00 C ATOM 855 CG1 ILE A 78 11.410 -0.569 -0.824 1.00 0.00 C ATOM 856 CG2 ILE A 78 12.681 1.407 0.064 1.00 0.00 C ATOM 857 CD1 ILE A 78 10.567 -1.420 0.100 1.00 0.00 C ATOM 0 H ILE A 78 12.866 -0.215 -2.893 1.00 0.00 H new ATOM 0 HA ILE A 78 14.818 0.015 -0.700 1.00 0.00 H new ATOM 0 HB ILE A 78 12.844 -0.601 0.764 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.830 0.300 -1.135 1.00 0.00 H new ATOM 0 HG13 ILE A 78 11.637 -1.140 -1.725 1.00 0.00 H new ATOM 0 HG21 ILE A 78 11.831 1.644 0.704 1.00 0.00 H new ATOM 0 HG22 ILE A 78 13.603 1.717 0.556 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.580 1.935 -0.884 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.654 -1.721 -0.414 1.00 0.00 H new ATOM 0 HD12 ILE A 78 11.129 -2.307 0.391 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.310 -0.846 0.990 1.00 0.00 H new ATOM 869 N LYS A 79 13.751 -2.608 -2.211 1.00 0.00 N ATOM 870 CA LYS A 79 13.878 -4.055 -2.336 1.00 0.00 C ATOM 871 C LYS A 79 15.334 -4.488 -2.188 1.00 0.00 C ATOM 872 O LYS A 79 16.035 -4.696 -3.178 1.00 0.00 O ATOM 873 CB LYS A 79 13.327 -4.523 -3.684 1.00 0.00 C ATOM 874 CG LYS A 79 11.947 -5.153 -3.594 1.00 0.00 C ATOM 875 CD LYS A 79 11.734 -6.187 -4.687 1.00 0.00 C ATOM 876 CE LYS A 79 10.887 -5.633 -5.821 1.00 0.00 C ATOM 877 NZ LYS A 79 9.456 -6.019 -5.686 1.00 0.00 N ATOM 0 H LYS A 79 13.379 -2.145 -3.040 1.00 0.00 H new ATOM 0 HA LYS A 79 13.298 -4.516 -1.536 1.00 0.00 H new ATOM 0 HB2 LYS A 79 13.285 -3.672 -4.364 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.019 -5.245 -4.118 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.823 -5.623 -2.618 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.186 -4.377 -3.673 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.699 -6.510 -5.077 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.249 -7.068 -4.266 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.970 -4.546 -5.838 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.273 -5.997 -6.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.913 -5.621 -6.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.374 -7.056 -5.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.080 -5.650 -4.789 1.00 0.00 H new ATOM 891 N GLY A 80 15.782 -4.621 -0.945 1.00 0.00 N ATOM 892 CA GLY A 80 17.151 -5.028 -0.688 1.00 0.00 C ATOM 893 C GLY A 80 17.663 -4.537 0.651 1.00 0.00 C ATOM 894 O GLY A 80 18.557 -5.143 1.244 1.00 0.00 O ATOM 0 H GLY A 80 15.221 -4.454 -0.110 1.00 0.00 H new ATOM 0 HA2 GLY A 80 17.215 -6.116 -0.721 1.00 0.00 H new ATOM 0 HA3 GLY A 80 17.794 -4.647 -1.481 1.00 0.00 H new ATOM 898 N LYS A 81 17.097 -3.433 1.132 1.00 0.00 N ATOM 899 CA LYS A 81 17.503 -2.859 2.411 1.00 0.00 C ATOM 900 C LYS A 81 16.824 -3.581 3.570 1.00 0.00 C ATOM 901 O LYS A 81 15.913 -4.385 3.368 1.00 0.00 O ATOM 902 CB LYS A 81 17.167 -1.367 2.455 1.00 0.00 C ATOM 903 CG LYS A 81 17.508 -0.628 1.170 1.00 0.00 C ATOM 904 CD LYS A 81 18.039 0.768 1.455 1.00 0.00 C ATOM 905 CE LYS A 81 18.354 1.515 0.169 1.00 0.00 C ATOM 906 NZ LYS A 81 19.600 2.323 0.288 1.00 0.00 N ATOM 0 H LYS A 81 16.356 -2.919 0.655 1.00 0.00 H new ATOM 0 HA LYS A 81 18.581 -2.983 2.511 1.00 0.00 H new ATOM 0 HB2 LYS A 81 16.103 -1.249 2.661 1.00 0.00 H new ATOM 0 HB3 LYS A 81 17.705 -0.906 3.283 1.00 0.00 H new ATOM 0 HG2 LYS A 81 18.252 -1.194 0.610 1.00 0.00 H new ATOM 0 HG3 LYS A 81 16.620 -0.560 0.542 1.00 0.00 H new ATOM 0 HD2 LYS A 81 17.303 1.328 2.032 1.00 0.00 H new ATOM 0 HD3 LYS A 81 18.938 0.699 2.067 1.00 0.00 H new ATOM 0 HE2 LYS A 81 18.460 0.802 -0.649 1.00 0.00 H new ATOM 0 HE3 LYS A 81 17.520 2.169 -0.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 19.780 2.817 -0.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 19.490 3.021 1.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 20.401 1.696 0.505 1.00 0.00 H new ATOM 920 N THR A 82 17.276 -3.291 4.787 1.00 0.00 N ATOM 921 CA THR A 82 16.712 -3.911 5.980 1.00 0.00 C ATOM 922 C THR A 82 15.542 -3.093 6.520 1.00 0.00 C ATOM 923 O THR A 82 15.240 -2.015 6.010 1.00 0.00 O ATOM 924 CB THR A 82 17.789 -4.056 7.058 1.00 0.00 C ATOM 925 OG1 THR A 82 19.067 -4.219 6.468 1.00 0.00 O ATOM 926 CG2 THR A 82 17.557 -5.232 7.983 1.00 0.00 C ATOM 0 H THR A 82 18.031 -2.631 4.972 1.00 0.00 H new ATOM 0 HA THR A 82 16.343 -4.899 5.706 1.00 0.00 H new ATOM 0 HB THR A 82 17.737 -3.139 7.645 1.00 0.00 H new ATOM 0 HG1 THR A 82 19.743 -4.308 7.172 1.00 0.00 H new ATOM 0 HG21 THR A 82 18.356 -5.276 8.723 1.00 0.00 H new ATOM 0 HG22 THR A 82 16.600 -5.113 8.490 1.00 0.00 H new ATOM 0 HG23 THR A 82 17.548 -6.155 7.403 1.00 0.00 H new ATOM 934 N LYS A 83 14.889 -3.614 7.552 1.00 0.00 N ATOM 935 CA LYS A 83 13.751 -2.930 8.162 1.00 0.00 C ATOM 936 C LYS A 83 14.158 -1.556 8.681 1.00 0.00 C ATOM 937 O LYS A 83 13.494 -0.557 8.407 1.00 0.00 O ATOM 938 CB LYS A 83 13.175 -3.771 9.302 1.00 0.00 C ATOM 939 CG LYS A 83 11.943 -3.156 9.948 1.00 0.00 C ATOM 940 CD LYS A 83 10.797 -4.152 10.029 1.00 0.00 C ATOM 941 CE LYS A 83 11.070 -5.233 11.062 1.00 0.00 C ATOM 942 NZ LYS A 83 12.104 -6.199 10.597 1.00 0.00 N ATOM 0 H LYS A 83 15.126 -4.507 7.985 1.00 0.00 H new ATOM 0 HA LYS A 83 12.986 -2.797 7.397 1.00 0.00 H new ATOM 0 HB2 LYS A 83 12.920 -4.760 8.920 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.943 -3.911 10.063 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.193 -2.806 10.950 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.628 -2.284 9.375 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.876 -3.628 10.284 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.643 -4.611 9.052 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.398 -4.771 11.993 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.146 -5.768 11.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.942 -7.124 11.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.045 -6.299 9.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 13.048 -5.849 10.858 1.00 0.00 H new ATOM 956 N VAL A 84 15.253 -1.513 9.434 1.00 0.00 N ATOM 957 CA VAL A 84 15.749 -0.262 9.992 1.00 0.00 C ATOM 958 C VAL A 84 16.166 0.703 8.886 1.00 0.00 C ATOM 959 O VAL A 84 15.907 1.904 8.968 1.00 0.00 O ATOM 960 CB VAL A 84 16.947 -0.500 10.930 1.00 0.00 C ATOM 961 CG1 VAL A 84 16.518 -1.297 12.152 1.00 0.00 C ATOM 962 CG2 VAL A 84 18.072 -1.209 10.190 1.00 0.00 C ATOM 0 H VAL A 84 15.813 -2.332 9.671 1.00 0.00 H new ATOM 0 HA VAL A 84 14.932 0.176 10.565 1.00 0.00 H new ATOM 0 HB VAL A 84 17.318 0.467 11.268 1.00 0.00 H new ATOM 0 HG11 VAL A 84 17.378 -1.455 12.803 1.00 0.00 H new ATOM 0 HG12 VAL A 84 15.749 -0.747 12.694 1.00 0.00 H new ATOM 0 HG13 VAL A 84 16.120 -2.261 11.836 1.00 0.00 H new ATOM 0 HG21 VAL A 84 18.910 -1.369 10.869 1.00 0.00 H new ATOM 0 HG22 VAL A 84 17.715 -2.171 9.821 1.00 0.00 H new ATOM 0 HG23 VAL A 84 18.398 -0.596 9.349 1.00 0.00 H new ATOM 972 N GLU A 85 16.813 0.169 7.855 1.00 0.00 N ATOM 973 CA GLU A 85 17.265 0.982 6.732 1.00 0.00 C ATOM 974 C GLU A 85 16.083 1.646 6.032 1.00 0.00 C ATOM 975 O GLU A 85 16.117 2.839 5.730 1.00 0.00 O ATOM 976 CB GLU A 85 18.046 0.124 5.736 1.00 0.00 C ATOM 977 CG GLU A 85 19.478 -0.154 6.162 1.00 0.00 C ATOM 978 CD GLU A 85 20.439 0.932 5.722 1.00 0.00 C ATOM 979 OE1 GLU A 85 20.831 0.934 4.536 1.00 0.00 O ATOM 980 OE2 GLU A 85 20.800 1.782 6.563 1.00 0.00 O ATOM 0 H GLU A 85 17.036 -0.823 7.774 1.00 0.00 H new ATOM 0 HA GLU A 85 17.920 1.762 7.120 1.00 0.00 H new ATOM 0 HB2 GLU A 85 17.526 -0.824 5.600 1.00 0.00 H new ATOM 0 HB3 GLU A 85 18.055 0.624 4.768 1.00 0.00 H new ATOM 0 HG2 GLU A 85 19.518 -0.251 7.247 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.798 -1.108 5.744 1.00 0.00 H new ATOM 987 N VAL A 86 15.039 0.863 5.777 1.00 0.00 N ATOM 988 CA VAL A 86 13.847 1.374 5.112 1.00 0.00 C ATOM 989 C VAL A 86 13.141 2.416 5.974 1.00 0.00 C ATOM 990 O VAL A 86 12.905 3.540 5.534 1.00 0.00 O ATOM 991 CB VAL A 86 12.856 0.240 4.787 1.00 0.00 C ATOM 992 CG1 VAL A 86 11.690 0.768 3.963 1.00 0.00 C ATOM 993 CG2 VAL A 86 13.561 -0.895 4.058 1.00 0.00 C ATOM 0 H VAL A 86 14.995 -0.126 6.021 1.00 0.00 H new ATOM 0 HA VAL A 86 14.178 1.837 4.182 1.00 0.00 H new ATOM 0 HB VAL A 86 12.461 -0.151 5.725 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.001 -0.047 3.743 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.168 1.542 4.525 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.065 1.188 3.029 1.00 0.00 H new ATOM 0 HG21 VAL A 86 12.844 -1.686 3.837 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.986 -0.521 3.127 1.00 0.00 H new ATOM 0 HG23 VAL A 86 14.358 -1.292 4.687 1.00 0.00 H new ATOM 1003 N ALA A 87 12.811 2.034 7.205 1.00 0.00 N ATOM 1004 CA ALA A 87 12.131 2.934 8.132 1.00 0.00 C ATOM 1005 C ALA A 87 12.826 4.292 8.198 1.00 0.00 C ATOM 1006 O ALA A 87 12.202 5.331 7.977 1.00 0.00 O ATOM 1007 CB ALA A 87 12.063 2.308 9.516 1.00 0.00 C ATOM 0 H ALA A 87 13.004 1.107 7.584 1.00 0.00 H new ATOM 0 HA ALA A 87 11.118 3.094 7.764 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.554 2.988 10.198 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.514 1.368 9.464 1.00 0.00 H new ATOM 0 HB3 ALA A 87 13.073 2.118 9.879 1.00 0.00 H new ATOM 1013 N LYS A 88 14.119 4.274 8.501 1.00 0.00 N ATOM 1014 CA LYS A 88 14.899 5.503 8.594 1.00 0.00 C ATOM 1015 C LYS A 88 14.844 6.278 7.280 1.00 0.00 C ATOM 1016 O LYS A 88 14.814 7.508 7.273 1.00 0.00 O ATOM 1017 CB LYS A 88 16.352 5.183 8.957 1.00 0.00 C ATOM 1018 CG LYS A 88 16.792 5.780 10.283 1.00 0.00 C ATOM 1019 CD LYS A 88 17.849 4.920 10.957 1.00 0.00 C ATOM 1020 CE LYS A 88 17.243 3.662 11.559 1.00 0.00 C ATOM 1021 NZ LYS A 88 17.000 3.808 13.022 1.00 0.00 N ATOM 0 H LYS A 88 14.649 3.423 8.686 1.00 0.00 H new ATOM 0 HA LYS A 88 14.467 6.124 9.379 1.00 0.00 H new ATOM 0 HB2 LYS A 88 16.479 4.101 8.995 1.00 0.00 H new ATOM 0 HB3 LYS A 88 17.005 5.553 8.167 1.00 0.00 H new ATOM 0 HG2 LYS A 88 17.187 6.782 10.119 1.00 0.00 H new ATOM 0 HG3 LYS A 88 15.930 5.882 10.942 1.00 0.00 H new ATOM 0 HD2 LYS A 88 18.613 4.645 10.230 1.00 0.00 H new ATOM 0 HD3 LYS A 88 18.344 5.496 11.738 1.00 0.00 H new ATOM 0 HE2 LYS A 88 16.303 3.435 11.056 1.00 0.00 H new ATOM 0 HE3 LYS A 88 17.910 2.818 11.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 16.587 2.929 13.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 17.900 3.999 13.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 16.343 4.597 13.188 1.00 0.00 H new ATOM 1035 N MET A 89 14.829 5.546 6.169 1.00 0.00 N ATOM 1036 CA MET A 89 14.775 6.162 4.850 1.00 0.00 C ATOM 1037 C MET A 89 13.510 7.001 4.694 1.00 0.00 C ATOM 1038 O MET A 89 13.536 8.073 4.090 1.00 0.00 O ATOM 1039 CB MET A 89 14.830 5.092 3.760 1.00 0.00 C ATOM 1040 CG MET A 89 15.391 5.596 2.439 1.00 0.00 C ATOM 1041 SD MET A 89 16.446 4.382 1.623 1.00 0.00 S ATOM 1042 CE MET A 89 15.247 3.519 0.610 1.00 0.00 C ATOM 0 H MET A 89 14.854 4.526 6.158 1.00 0.00 H new ATOM 0 HA MET A 89 15.640 6.818 4.747 1.00 0.00 H new ATOM 0 HB2 MET A 89 15.440 4.260 4.110 1.00 0.00 H new ATOM 0 HB3 MET A 89 13.826 4.703 3.594 1.00 0.00 H new ATOM 0 HG2 MET A 89 14.567 5.859 1.776 1.00 0.00 H new ATOM 0 HG3 MET A 89 15.962 6.507 2.616 1.00 0.00 H new ATOM 0 HE1 MET A 89 15.622 2.524 0.371 1.00 0.00 H new ATOM 0 HE2 MET A 89 14.307 3.431 1.154 1.00 0.00 H new ATOM 0 HE3 MET A 89 15.082 4.076 -0.312 1.00 0.00 H new ATOM 1052 N ILE A 90 12.406 6.507 5.243 1.00 0.00 N ATOM 1053 CA ILE A 90 11.134 7.215 5.166 1.00 0.00 C ATOM 1054 C ILE A 90 11.165 8.487 6.004 1.00 0.00 C ATOM 1055 O ILE A 90 10.776 9.557 5.539 1.00 0.00 O ATOM 1056 CB ILE A 90 9.963 6.331 5.637 1.00 0.00 C ATOM 1057 CG1 ILE A 90 10.010 4.966 4.947 1.00 0.00 C ATOM 1058 CG2 ILE A 90 8.636 7.022 5.363 1.00 0.00 C ATOM 1059 CD1 ILE A 90 9.996 5.051 3.437 1.00 0.00 C ATOM 0 H ILE A 90 12.366 5.620 5.746 1.00 0.00 H new ATOM 0 HA ILE A 90 10.981 7.474 4.118 1.00 0.00 H new ATOM 0 HB ILE A 90 10.057 6.175 6.712 1.00 0.00 H new ATOM 0 HG12 ILE A 90 10.909 4.438 5.265 1.00 0.00 H new ATOM 0 HG13 ILE A 90 9.158 4.372 5.277 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.818 6.386 5.701 1.00 0.00 H new ATOM 0 HG22 ILE A 90 8.603 7.971 5.898 1.00 0.00 H new ATOM 0 HG23 ILE A 90 8.535 7.205 4.293 1.00 0.00 H new ATOM 0 HD11 ILE A 90 10.031 4.046 3.016 1.00 0.00 H new ATOM 0 HD12 ILE A 90 9.084 5.550 3.109 1.00 0.00 H new ATOM 0 HD13 ILE A 90 10.863 5.618 3.096 1.00 0.00 H new ATOM 1071 N GLN A 91 11.629 8.363 7.241 1.00 0.00 N ATOM 1072 CA GLN A 91 11.709 9.507 8.144 1.00 0.00 C ATOM 1073 C GLN A 91 12.702 10.549 7.631 1.00 0.00 C ATOM 1074 O GLN A 91 12.648 11.714 8.025 1.00 0.00 O ATOM 1075 CB GLN A 91 12.115 9.048 9.544 1.00 0.00 C ATOM 1076 CG GLN A 91 10.997 8.352 10.306 1.00 0.00 C ATOM 1077 CD GLN A 91 11.480 7.133 11.065 1.00 0.00 C ATOM 1078 OE1 GLN A 91 11.176 7.081 12.358 1.00 0.00 O flip ATOM 1079 NE2 GLN A 91 12.119 6.246 10.499 1.00 0.00 N flip ATOM 0 H GLN A 91 11.955 7.484 7.643 1.00 0.00 H new ATOM 0 HA GLN A 91 10.722 9.968 8.188 1.00 0.00 H new ATOM 0 HB2 GLN A 91 12.965 8.370 9.463 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.451 9.912 10.117 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.546 9.056 11.006 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.216 8.054 9.606 1.00 0.00 H new ATOM 0 HE21 GLN A 91 12.331 6.325 9.504 1.00 0.00 H new ATOM 0 HE22 GLN A 91 12.437 5.432 11.025 1.00 0.00 H new ATOM 1088 N GLU A 92 13.612 10.124 6.760 1.00 0.00 N ATOM 1089 CA GLU A 92 14.619 11.021 6.205 1.00 0.00 C ATOM 1090 C GLU A 92 14.063 11.834 5.037 1.00 0.00 C ATOM 1091 O GLU A 92 14.323 13.032 4.927 1.00 0.00 O ATOM 1092 CB GLU A 92 15.843 10.226 5.747 1.00 0.00 C ATOM 1093 CG GLU A 92 16.598 9.562 6.885 1.00 0.00 C ATOM 1094 CD GLU A 92 17.915 10.248 7.193 1.00 0.00 C ATOM 1095 OE1 GLU A 92 17.976 11.491 7.082 1.00 0.00 O ATOM 1096 OE2 GLU A 92 18.885 9.542 7.542 1.00 0.00 O ATOM 0 H GLU A 92 13.672 9.163 6.423 1.00 0.00 H new ATOM 0 HA GLU A 92 14.912 11.715 6.992 1.00 0.00 H new ATOM 0 HB2 GLU A 92 15.525 9.461 5.038 1.00 0.00 H new ATOM 0 HB3 GLU A 92 16.520 10.893 5.213 1.00 0.00 H new ATOM 0 HG2 GLU A 92 15.974 9.564 7.779 1.00 0.00 H new ATOM 0 HG3 GLU A 92 16.787 8.519 6.630 1.00 0.00 H new ATOM 1103 N VAL A 93 13.304 11.176 4.166 1.00 0.00 N ATOM 1104 CA VAL A 93 12.724 11.844 3.004 1.00 0.00 C ATOM 1105 C VAL A 93 11.688 12.886 3.421 1.00 0.00 C ATOM 1106 O VAL A 93 10.484 12.674 3.283 1.00 0.00 O ATOM 1107 CB VAL A 93 12.072 10.830 2.040 1.00 0.00 C ATOM 1108 CG1 VAL A 93 10.992 10.029 2.748 1.00 0.00 C ATOM 1109 CG2 VAL A 93 11.511 11.536 0.814 1.00 0.00 C ATOM 0 H VAL A 93 13.076 10.185 4.241 1.00 0.00 H new ATOM 0 HA VAL A 93 13.542 12.346 2.488 1.00 0.00 H new ATOM 0 HB VAL A 93 12.842 10.134 1.706 1.00 0.00 H new ATOM 0 HG11 VAL A 93 10.547 9.321 2.049 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.431 9.485 3.584 1.00 0.00 H new ATOM 0 HG13 VAL A 93 10.222 10.705 3.119 1.00 0.00 H new ATOM 0 HG21 VAL A 93 11.056 10.803 0.148 1.00 0.00 H new ATOM 0 HG22 VAL A 93 10.758 12.261 1.124 1.00 0.00 H new ATOM 0 HG23 VAL A 93 12.316 12.051 0.290 1.00 0.00 H new ATOM 1119 N LYS A 94 12.167 14.017 3.929 1.00 0.00 N ATOM 1120 CA LYS A 94 11.286 15.096 4.362 1.00 0.00 C ATOM 1121 C LYS A 94 10.418 15.587 3.208 1.00 0.00 C ATOM 1122 O LYS A 94 10.873 15.668 2.067 1.00 0.00 O ATOM 1123 CB LYS A 94 12.107 16.255 4.927 1.00 0.00 C ATOM 1124 CG LYS A 94 13.148 16.793 3.957 1.00 0.00 C ATOM 1125 CD LYS A 94 12.559 17.844 3.029 1.00 0.00 C ATOM 1126 CE LYS A 94 13.109 19.228 3.332 1.00 0.00 C ATOM 1127 NZ LYS A 94 12.105 20.296 3.066 1.00 0.00 N ATOM 0 H LYS A 94 13.161 14.210 4.051 1.00 0.00 H new ATOM 0 HA LYS A 94 10.633 14.707 5.143 1.00 0.00 H new ATOM 0 HB2 LYS A 94 11.433 17.064 5.209 1.00 0.00 H new ATOM 0 HB3 LYS A 94 12.607 15.925 5.838 1.00 0.00 H new ATOM 0 HG2 LYS A 94 13.978 17.225 4.516 1.00 0.00 H new ATOM 0 HG3 LYS A 94 13.554 15.972 3.366 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.781 17.582 1.994 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.474 17.853 3.130 1.00 0.00 H new ATOM 0 HE2 LYS A 94 13.420 19.274 4.376 1.00 0.00 H new ATOM 0 HE3 LYS A 94 13.997 19.406 2.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.519 21.224 3.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.826 20.269 2.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.267 20.141 3.663 1.00 0.00 H new ATOM 1141 N GLY A 95 9.166 15.913 3.512 1.00 0.00 N ATOM 1142 CA GLY A 95 8.256 16.393 2.489 1.00 0.00 C ATOM 1143 C GLY A 95 7.301 15.317 2.010 1.00 0.00 C ATOM 1144 O GLY A 95 7.014 14.364 2.734 1.00 0.00 O ATOM 0 H GLY A 95 8.766 15.853 4.448 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.684 17.234 2.882 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.831 16.767 1.642 1.00 0.00 H new ATOM 1148 N GLU A 96 6.805 15.471 0.786 1.00 0.00 N ATOM 1149 CA GLU A 96 5.877 14.506 0.211 1.00 0.00 C ATOM 1150 C GLU A 96 6.579 13.183 -0.080 1.00 0.00 C ATOM 1151 O GLU A 96 7.341 13.070 -1.039 1.00 0.00 O ATOM 1152 CB GLU A 96 5.261 15.063 -1.075 1.00 0.00 C ATOM 1153 CG GLU A 96 6.282 15.347 -2.164 1.00 0.00 C ATOM 1154 CD GLU A 96 5.979 16.619 -2.929 1.00 0.00 C ATOM 1155 OE1 GLU A 96 4.785 16.921 -3.132 1.00 0.00 O ATOM 1156 OE2 GLU A 96 6.938 17.316 -3.326 1.00 0.00 O ATOM 0 H GLU A 96 7.031 16.255 0.174 1.00 0.00 H new ATOM 0 HA GLU A 96 5.084 14.325 0.937 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.526 14.352 -1.454 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.725 15.983 -0.842 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.273 15.424 -1.717 1.00 0.00 H new ATOM 0 HG3 GLU A 96 6.310 14.507 -2.859 1.00 0.00 H new ATOM 1163 N VAL A 97 6.317 12.185 0.760 1.00 0.00 N ATOM 1164 CA VAL A 97 6.923 10.869 0.596 1.00 0.00 C ATOM 1165 C VAL A 97 6.133 10.018 -0.393 1.00 0.00 C ATOM 1166 O VAL A 97 4.935 9.798 -0.219 1.00 0.00 O ATOM 1167 CB VAL A 97 7.014 10.123 1.942 1.00 0.00 C ATOM 1168 CG1 VAL A 97 7.813 8.838 1.787 1.00 0.00 C ATOM 1169 CG2 VAL A 97 7.628 11.018 3.009 1.00 0.00 C ATOM 0 H VAL A 97 5.689 12.264 1.560 1.00 0.00 H new ATOM 0 HA VAL A 97 7.929 11.029 0.208 1.00 0.00 H new ATOM 0 HB VAL A 97 6.005 9.860 2.260 1.00 0.00 H new ATOM 0 HG11 VAL A 97 7.867 8.325 2.747 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.325 8.192 1.057 1.00 0.00 H new ATOM 0 HG13 VAL A 97 8.821 9.075 1.445 1.00 0.00 H new ATOM 0 HG21 VAL A 97 7.684 10.474 3.952 1.00 0.00 H new ATOM 0 HG22 VAL A 97 8.631 11.315 2.702 1.00 0.00 H new ATOM 0 HG23 VAL A 97 7.010 11.906 3.139 1.00 0.00 H new ATOM 1179 N THR A 98 6.812 9.543 -1.432 1.00 0.00 N ATOM 1180 CA THR A 98 6.174 8.716 -2.450 1.00 0.00 C ATOM 1181 C THR A 98 6.600 7.257 -2.314 1.00 0.00 C ATOM 1182 O THR A 98 7.727 6.896 -2.651 1.00 0.00 O ATOM 1183 CB THR A 98 6.522 9.231 -3.847 1.00 0.00 C ATOM 1184 OG1 THR A 98 6.328 10.633 -3.929 1.00 0.00 O ATOM 1185 CG2 THR A 98 5.699 8.590 -4.943 1.00 0.00 C ATOM 0 H THR A 98 7.804 9.717 -1.591 1.00 0.00 H new ATOM 0 HA THR A 98 5.095 8.776 -2.305 1.00 0.00 H new ATOM 0 HB THR A 98 7.569 8.968 -3.999 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.558 10.943 -4.830 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.996 9.000 -5.908 1.00 0.00 H new ATOM 0 HG22 THR A 98 5.865 7.513 -4.940 1.00 0.00 H new ATOM 0 HG23 THR A 98 4.642 8.795 -4.772 1.00 0.00 H new ATOM 1193 N ILE A 99 5.692 6.424 -1.820 1.00 0.00 N ATOM 1194 CA ILE A 99 5.973 5.005 -1.642 1.00 0.00 C ATOM 1195 C ILE A 99 5.372 4.177 -2.774 1.00 0.00 C ATOM 1196 O ILE A 99 4.216 4.369 -3.150 1.00 0.00 O ATOM 1197 CB ILE A 99 5.425 4.489 -0.297 1.00 0.00 C ATOM 1198 CG1 ILE A 99 5.904 5.381 0.850 1.00 0.00 C ATOM 1199 CG2 ILE A 99 5.853 3.046 -0.065 1.00 0.00 C ATOM 1200 CD1 ILE A 99 5.147 6.686 0.958 1.00 0.00 C ATOM 0 H ILE A 99 4.754 6.707 -1.535 1.00 0.00 H new ATOM 0 HA ILE A 99 7.057 4.894 -1.652 1.00 0.00 H new ATOM 0 HB ILE A 99 4.336 4.523 -0.331 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.807 4.835 1.789 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.964 5.596 0.714 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.457 2.698 0.889 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.467 2.418 -0.868 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.941 2.987 -0.050 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.540 7.267 1.792 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.265 7.252 0.034 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.090 6.481 1.125 1.00 0.00 H new ATOM 1212 N HIS A 100 6.166 3.258 -3.313 1.00 0.00 N ATOM 1213 CA HIS A 100 5.714 2.400 -4.401 1.00 0.00 C ATOM 1214 C HIS A 100 5.260 1.044 -3.871 1.00 0.00 C ATOM 1215 O HIS A 100 6.077 0.159 -3.618 1.00 0.00 O ATOM 1216 CB HIS A 100 6.832 2.211 -5.429 1.00 0.00 C ATOM 1217 CG HIS A 100 7.433 3.497 -5.901 1.00 0.00 C ATOM 1218 ND1 HIS A 100 8.040 4.496 -5.218 1.00 0.00 N flip ATOM 1219 CD2 HIS A 100 7.450 3.877 -7.228 1.00 0.00 C flip ATOM 1220 CE1 HIS A 100 8.409 5.450 -6.135 1.00 0.00 C flip ATOM 1221 NE2 HIS A 100 8.043 5.054 -7.339 1.00 0.00 N flip ATOM 0 H HIS A 100 7.126 3.089 -3.014 1.00 0.00 H new ATOM 0 HA HIS A 100 4.865 2.884 -4.884 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.616 1.592 -4.992 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.437 1.667 -6.287 1.00 0.00 H new ATOM 0 HD2 HIS A 100 7.043 3.303 -8.047 1.00 0.00 H new ATOM 0 HE1 HIS A 100 8.917 6.375 -5.907 1.00 0.00 H new ATOM 0 HE2 HIS A 100 8.192 5.568 -8.207 1.00 0.00 H new ATOM 1230 N TYR A 101 3.951 0.888 -3.705 1.00 0.00 N ATOM 1231 CA TYR A 101 3.387 -0.359 -3.204 1.00 0.00 C ATOM 1232 C TYR A 101 2.811 -1.195 -4.342 1.00 0.00 C ATOM 1233 O TYR A 101 2.559 -0.684 -5.434 1.00 0.00 O ATOM 1234 CB TYR A 101 2.300 -0.071 -2.167 1.00 0.00 C ATOM 1235 CG TYR A 101 1.104 0.662 -2.733 1.00 0.00 C ATOM 1236 CD1 TYR A 101 1.064 2.051 -2.753 1.00 0.00 C ATOM 1237 CD2 TYR A 101 0.016 -0.033 -3.245 1.00 0.00 C ATOM 1238 CE1 TYR A 101 -0.026 2.726 -3.269 1.00 0.00 C ATOM 1239 CE2 TYR A 101 -1.077 0.633 -3.763 1.00 0.00 C ATOM 1240 CZ TYR A 101 -1.094 2.011 -3.773 1.00 0.00 C ATOM 1241 OH TYR A 101 -2.181 2.680 -4.287 1.00 0.00 O ATOM 0 H TYR A 101 3.261 1.610 -3.910 1.00 0.00 H new ATOM 0 HA TYR A 101 4.190 -0.926 -2.733 1.00 0.00 H new ATOM 0 HB2 TYR A 101 1.966 -1.013 -1.731 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.729 0.520 -1.358 1.00 0.00 H new ATOM 0 HD1 TYR A 101 1.898 2.612 -2.359 1.00 0.00 H new ATOM 0 HD2 TYR A 101 0.025 -1.113 -3.238 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -0.042 3.806 -3.278 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -1.914 0.077 -4.158 1.00 0.00 H new ATOM 0 HH TYR A 101 -2.845 2.032 -4.602 1.00 0.00 H new ATOM 1251 N ASN A 102 2.607 -2.481 -4.081 1.00 0.00 N ATOM 1252 CA ASN A 102 2.059 -3.389 -5.082 1.00 0.00 C ATOM 1253 C ASN A 102 0.890 -4.185 -4.514 1.00 0.00 C ATOM 1254 O ASN A 102 1.067 -5.018 -3.623 1.00 0.00 O ATOM 1255 CB ASN A 102 3.145 -4.340 -5.586 1.00 0.00 C ATOM 1256 CG ASN A 102 4.251 -3.613 -6.327 1.00 0.00 C ATOM 1257 OD1 ASN A 102 4.260 -2.385 -6.402 1.00 0.00 O ATOM 1258 ND2 ASN A 102 5.192 -4.372 -6.878 1.00 0.00 N ATOM 0 H ASN A 102 2.813 -2.919 -3.183 1.00 0.00 H new ATOM 0 HA ASN A 102 1.694 -2.792 -5.917 1.00 0.00 H new ATOM 0 HB2 ASN A 102 3.572 -4.881 -4.741 1.00 0.00 H new ATOM 0 HB3 ASN A 102 2.696 -5.083 -6.246 1.00 0.00 H new ATOM 0 HD21 ASN A 102 5.962 -3.940 -7.388 1.00 0.00 H new ATOM 0 HD22 ASN A 102 5.144 -5.387 -6.791 1.00 0.00 H new ATOM 1265 N LYS A 103 -0.307 -3.925 -5.031 1.00 0.00 N ATOM 1266 CA LYS A 103 -1.505 -4.618 -4.574 1.00 0.00 C ATOM 1267 C LYS A 103 -1.489 -6.079 -5.013 1.00 0.00 C ATOM 1268 O LYS A 103 -1.306 -6.380 -6.192 1.00 0.00 O ATOM 1269 CB LYS A 103 -2.757 -3.923 -5.114 1.00 0.00 C ATOM 1270 CG LYS A 103 -3.253 -2.790 -4.230 1.00 0.00 C ATOM 1271 CD LYS A 103 -4.769 -2.789 -4.120 1.00 0.00 C ATOM 1272 CE LYS A 103 -5.411 -2.045 -5.280 1.00 0.00 C ATOM 1273 NZ LYS A 103 -6.746 -2.605 -5.628 1.00 0.00 N ATOM 0 H LYS A 103 -0.472 -3.239 -5.767 1.00 0.00 H new ATOM 0 HA LYS A 103 -1.521 -4.586 -3.485 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -2.544 -3.530 -6.108 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -3.552 -4.660 -5.226 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -2.816 -2.885 -3.236 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -2.916 -1.836 -4.637 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -5.134 -3.816 -4.098 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -5.066 -2.325 -3.180 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -5.515 -0.991 -5.022 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -4.757 -2.097 -6.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -7.150 -2.070 -6.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -6.644 -3.604 -5.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -7.378 -2.532 -4.805 1.00 0.00 H new ATOM 1287 N LEU A 104 -1.683 -6.980 -4.056 1.00 0.00 N ATOM 1288 CA LEU A 104 -1.691 -8.411 -4.343 1.00 0.00 C ATOM 1289 C LEU A 104 -3.091 -8.994 -4.175 1.00 0.00 C ATOM 1290 O LEU A 104 -4.000 -8.318 -3.693 1.00 0.00 O ATOM 1291 CB LEU A 104 -0.704 -9.141 -3.429 1.00 0.00 C ATOM 1292 CG LEU A 104 0.604 -8.394 -3.158 1.00 0.00 C ATOM 1293 CD1 LEU A 104 0.510 -7.612 -1.857 1.00 0.00 C ATOM 1294 CD2 LEU A 104 1.775 -9.364 -3.118 1.00 0.00 C ATOM 0 H LEU A 104 -1.837 -6.746 -3.075 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.385 -8.550 -5.380 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.194 -9.341 -2.476 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.467 -10.107 -3.874 1.00 0.00 H new ATOM 0 HG LEU A 104 0.773 -7.688 -3.971 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.449 -7.087 -1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.303 -6.889 -1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.317 -8.299 -1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.696 -8.814 -2.924 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.615 -10.095 -2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.854 -9.879 -4.076 1.00 0.00 H new ATOM 1307 N GLU B 121 7.586 -7.880 15.122 1.00 0.00 N ATOM 1308 CA GLU B 121 8.289 -6.603 15.181 1.00 0.00 C ATOM 1309 C GLU B 121 8.040 -5.790 13.916 1.00 0.00 C ATOM 1310 O GLU B 121 8.608 -6.073 12.861 1.00 0.00 O ATOM 1311 CB GLU B 121 9.790 -6.832 15.369 1.00 0.00 C ATOM 1312 CG GLU B 121 10.237 -6.775 16.822 1.00 0.00 C ATOM 1313 CD GLU B 121 9.454 -7.719 17.710 1.00 0.00 C ATOM 1314 OE1 GLU B 121 9.096 -8.819 17.240 1.00 0.00 O ATOM 1315 OE2 GLU B 121 9.198 -7.361 18.879 1.00 0.00 O ATOM 0 HA GLU B 121 7.906 -6.042 16.034 1.00 0.00 H new ATOM 0 HB2 GLU B 121 10.056 -7.804 14.954 1.00 0.00 H new ATOM 0 HB3 GLU B 121 10.338 -6.081 14.799 1.00 0.00 H new ATOM 0 HG2 GLU B 121 11.297 -7.021 16.882 1.00 0.00 H new ATOM 0 HG3 GLU B 121 10.125 -5.756 17.193 1.00 0.00 H new ATOM 1322 N SER B 122 7.188 -4.775 14.028 1.00 0.00 N ATOM 1323 CA SER B 122 6.863 -3.920 12.892 1.00 0.00 C ATOM 1324 C SER B 122 7.155 -2.457 13.212 1.00 0.00 C ATOM 1325 O SER B 122 6.544 -1.876 14.109 1.00 0.00 O ATOM 1326 CB SER B 122 5.393 -4.086 12.505 1.00 0.00 C ATOM 1327 OG SER B 122 5.036 -5.455 12.426 1.00 0.00 O ATOM 0 H SER B 122 6.711 -4.525 14.894 1.00 0.00 H new ATOM 0 HA SER B 122 7.488 -4.222 12.052 1.00 0.00 H new ATOM 0 HB2 SER B 122 4.762 -3.585 13.239 1.00 0.00 H new ATOM 0 HB3 SER B 122 5.210 -3.604 11.545 1.00 0.00 H new ATOM 0 HG SER B 122 4.063 -5.544 12.498 1.00 0.00 H new ATOM 1333 N VAL B 123 8.089 -1.869 12.474 1.00 0.00 N ATOM 1334 CA VAL B 123 8.460 -0.475 12.678 1.00 0.00 C ATOM 1335 C VAL B 123 7.393 0.463 12.125 1.00 0.00 C ATOM 1336 O VAL B 123 6.961 0.321 10.981 1.00 0.00 O ATOM 1337 CB VAL B 123 9.812 -0.148 12.013 1.00 0.00 C ATOM 1338 CG1 VAL B 123 10.263 1.258 12.379 1.00 0.00 C ATOM 1339 CG2 VAL B 123 10.861 -1.175 12.410 1.00 0.00 C ATOM 0 H VAL B 123 8.604 -2.337 11.728 1.00 0.00 H new ATOM 0 HA VAL B 123 8.549 -0.326 13.754 1.00 0.00 H new ATOM 0 HB VAL B 123 9.685 -0.191 10.931 1.00 0.00 H new ATOM 0 HG11 VAL B 123 11.219 1.470 11.900 1.00 0.00 H new ATOM 0 HG12 VAL B 123 9.519 1.979 12.039 1.00 0.00 H new ATOM 0 HG13 VAL B 123 10.374 1.334 13.461 1.00 0.00 H new ATOM 0 HG21 VAL B 123 11.809 -0.930 11.932 1.00 0.00 H new ATOM 0 HG22 VAL B 123 10.987 -1.166 13.493 1.00 0.00 H new ATOM 0 HG23 VAL B 123 10.539 -2.166 12.090 1.00 0.00 H new ATOM 1349 N LYS B 124 6.972 1.422 12.942 1.00 0.00 N ATOM 1350 CA LYS B 124 5.955 2.384 12.533 1.00 0.00 C ATOM 1351 C LYS B 124 6.583 3.741 12.228 1.00 0.00 C ATOM 1352 O LYS B 124 7.189 4.365 13.096 1.00 0.00 O ATOM 1353 CB LYS B 124 4.894 2.535 13.626 1.00 0.00 C ATOM 1354 CG LYS B 124 3.701 3.375 13.201 1.00 0.00 C ATOM 1355 CD LYS B 124 3.910 4.843 13.534 1.00 0.00 C ATOM 1356 CE LYS B 124 3.220 5.221 14.836 1.00 0.00 C ATOM 1357 NZ LYS B 124 4.075 4.936 16.020 1.00 0.00 N ATOM 0 H LYS B 124 7.319 1.554 13.892 1.00 0.00 H new ATOM 0 HA LYS B 124 5.481 2.009 11.626 1.00 0.00 H new ATOM 0 HB2 LYS B 124 4.545 1.546 13.921 1.00 0.00 H new ATOM 0 HB3 LYS B 124 5.352 2.987 14.506 1.00 0.00 H new ATOM 0 HG2 LYS B 124 3.539 3.263 12.129 1.00 0.00 H new ATOM 0 HG3 LYS B 124 2.802 3.012 13.699 1.00 0.00 H new ATOM 0 HD2 LYS B 124 4.977 5.051 13.612 1.00 0.00 H new ATOM 0 HD3 LYS B 124 3.523 5.460 12.723 1.00 0.00 H new ATOM 0 HE2 LYS B 124 2.966 6.281 14.818 1.00 0.00 H new ATOM 0 HE3 LYS B 124 2.283 4.671 14.924 1.00 0.00 H new ATOM 0 HZ1 LYS B 124 3.613 5.300 16.878 1.00 0.00 H new ATOM 0 HZ2 LYS B 124 4.212 3.909 16.110 1.00 0.00 H new ATOM 0 HZ3 LYS B 124 4.998 5.400 15.901 1.00 0.00 H new ATOM 1371 N ILE B 125 6.430 4.191 10.986 1.00 0.00 N ATOM 1372 CA ILE B 125 6.981 5.473 10.565 1.00 0.00 C ATOM 1373 C ILE B 125 5.945 6.294 9.806 1.00 0.00 C ATOM 1374 O ILE B 125 6.335 7.294 9.166 1.00 0.00 O ATOM 1375 CB ILE B 125 8.223 5.285 9.672 1.00 0.00 C ATOM 1376 CG1 ILE B 125 7.882 4.408 8.466 1.00 0.00 C ATOM 1377 CG2 ILE B 125 9.364 4.676 10.474 1.00 0.00 C ATOM 1378 CD1 ILE B 125 7.220 5.166 7.338 1.00 0.00 C ATOM 1379 OXT ILE B 125 4.750 5.931 9.854 1.00 0.00 O ATOM 0 H ILE B 125 5.929 3.686 10.255 1.00 0.00 H new ATOM 0 HA ILE B 125 7.270 6.005 11.471 1.00 0.00 H new ATOM 0 HB ILE B 125 8.543 6.261 9.307 1.00 0.00 H new ATOM 0 HG12 ILE B 125 8.795 3.944 8.094 1.00 0.00 H new ATOM 0 HG13 ILE B 125 7.223 3.602 8.788 1.00 0.00 H new ATOM 0 HG21 ILE B 125 10.234 4.549 9.830 1.00 0.00 H new ATOM 0 HG22 ILE B 125 9.619 5.336 11.303 1.00 0.00 H new ATOM 0 HG23 ILE B 125 9.057 3.706 10.864 1.00 0.00 H new ATOM 0 HD11 ILE B 125 7.006 4.482 6.516 1.00 0.00 H new ATOM 0 HD12 ILE B 125 6.289 5.608 7.694 1.00 0.00 H new ATOM 0 HD13 ILE B 125 7.886 5.955 6.990 1.00 0.00 H new