USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=19 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 63 THR OG1 : rot 100:sc= -0.85 USER MOD Set 1.2: A 101 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 31 ASN : amide:sc= -2.19 K(o=-2.5,f=-3.2) USER MOD Set 2.2: A 91 GLN : amide:sc= -0.344 X(o=-2.5,f=-2.6) USER MOD Set 3.1: A 24 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN :FLIP amide:sc=-0.00245 F(o=-0.69,f=-0.0024) USER MOD Single : A 27 LYS NZ :NH3+ 168:sc= -4.38! (180deg=-4.68!) USER MOD Single : A 30 GLN : amide:sc= -0.304 X(o=-0.3,f=-0.095) USER MOD Single : A 36 SER OG : rot 180:sc= -0.205 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.001) USER MOD Single : A 55 ASN : amide:sc= -0.434 X(o=-0.43,f=-0.035) USER MOD Single : A 56 THR OG1 : rot -125:sc= 0.758 USER MOD Single : A 71 THR OG1 : rot -38:sc= -0.0628 USER MOD Single : A 74 ASN : amide:sc= -0.253 K(o=-0.25,f=-1.9!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.767 USER MOD Single : A 83 LYS NZ :NH3+ 145:sc= 0.104 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -123:sc= 1.13 (180deg=-1.28) USER MOD Single : A 89 MET CE :methyl -132:sc= -5.12! (180deg=-8.8!) USER MOD Single : A 94 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.304) USER MOD Single : A 100 HIS :FLIP no HD1:sc= -0.0104 F(o=-0.81,f=-0.01) USER MOD Single : A 102 ASN : amide:sc= -3.7 K(o=-3.7,f=-9!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 122 SER OG : rot -140:sc= 0 USER MOD Single : B 124 LYS NZ :NH3+ 152:sc= 0.333 (180deg=0.0603) USER MOD ----------------------------------------------------------------- ATOM 15 N VAL A 19 -1.024 -5.019 -8.450 1.00 0.00 N ATOM 16 CA VAL A 19 -1.091 -3.646 -8.940 1.00 0.00 C ATOM 17 C VAL A 19 0.021 -2.790 -8.339 1.00 0.00 C ATOM 18 O VAL A 19 -0.178 -2.122 -7.325 1.00 0.00 O ATOM 19 CB VAL A 19 -2.452 -2.997 -8.619 1.00 0.00 C ATOM 20 CG1 VAL A 19 -2.606 -1.681 -9.364 1.00 0.00 C ATOM 21 CG2 VAL A 19 -3.590 -3.949 -8.958 1.00 0.00 C ATOM 0 HA VAL A 19 -0.966 -3.693 -10.022 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.491 -2.787 -7.550 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.573 -1.238 -9.124 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.810 -0.999 -9.065 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.545 -1.861 -10.437 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.543 -3.474 -8.725 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.556 -4.193 -10.020 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.487 -4.862 -8.372 1.00 0.00 H new ATOM 31 N PRO A 20 1.212 -2.799 -8.962 1.00 0.00 N ATOM 32 CA PRO A 20 2.357 -2.018 -8.486 1.00 0.00 C ATOM 33 C PRO A 20 2.188 -0.525 -8.746 1.00 0.00 C ATOM 34 O PRO A 20 2.677 -0.001 -9.747 1.00 0.00 O ATOM 35 CB PRO A 20 3.525 -2.574 -9.299 1.00 0.00 C ATOM 36 CG PRO A 20 2.903 -3.070 -10.559 1.00 0.00 C ATOM 37 CD PRO A 20 1.534 -3.568 -10.180 1.00 0.00 C ATOM 0 HA PRO A 20 2.491 -2.104 -7.408 1.00 0.00 H new ATOM 0 HB2 PRO A 20 4.270 -1.804 -9.501 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.033 -3.377 -8.765 1.00 0.00 H new ATOM 0 HG2 PRO A 20 2.837 -2.274 -11.301 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.500 -3.868 -11.000 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.808 -3.387 -10.972 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.536 -4.641 -9.988 1.00 0.00 H new ATOM 45 N GLY A 21 1.492 0.155 -7.842 1.00 0.00 N ATOM 46 CA GLY A 21 1.270 1.581 -7.993 1.00 0.00 C ATOM 47 C GLY A 21 2.014 2.399 -6.956 1.00 0.00 C ATOM 48 O GLY A 21 2.368 1.891 -5.891 1.00 0.00 O ATOM 0 H GLY A 21 1.077 -0.256 -7.006 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.585 1.891 -8.989 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.203 1.789 -7.917 1.00 0.00 H new ATOM 52 N LYS A 22 2.252 3.669 -7.267 1.00 0.00 N ATOM 53 CA LYS A 22 2.959 4.561 -6.355 1.00 0.00 C ATOM 54 C LYS A 22 2.053 5.700 -5.901 1.00 0.00 C ATOM 55 O LYS A 22 1.245 6.211 -6.677 1.00 0.00 O ATOM 56 CB LYS A 22 4.211 5.127 -7.027 1.00 0.00 C ATOM 57 CG LYS A 22 3.973 5.605 -8.451 1.00 0.00 C ATOM 58 CD LYS A 22 4.732 6.889 -8.741 1.00 0.00 C ATOM 59 CE LYS A 22 4.016 7.738 -9.780 1.00 0.00 C ATOM 60 NZ LYS A 22 4.331 7.299 -11.167 1.00 0.00 N ATOM 0 H LYS A 22 1.965 4.104 -8.144 1.00 0.00 H new ATOM 0 HA LYS A 22 3.256 3.984 -5.479 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.589 5.958 -6.432 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.987 4.362 -7.034 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.284 4.831 -9.153 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.907 5.768 -8.608 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.848 7.460 -7.820 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.734 6.648 -9.095 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.940 7.681 -9.617 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.302 8.782 -9.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.824 7.902 -11.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.355 7.377 -11.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.035 6.310 -11.294 1.00 0.00 H new ATOM 74 N VAL A 23 2.191 6.095 -4.640 1.00 0.00 N ATOM 75 CA VAL A 23 1.385 7.174 -4.084 1.00 0.00 C ATOM 76 C VAL A 23 2.255 8.192 -3.353 1.00 0.00 C ATOM 77 O VAL A 23 3.108 7.828 -2.542 1.00 0.00 O ATOM 78 CB VAL A 23 0.315 6.632 -3.113 1.00 0.00 C ATOM 79 CG1 VAL A 23 0.968 5.923 -1.935 1.00 0.00 C ATOM 80 CG2 VAL A 23 -0.593 7.755 -2.634 1.00 0.00 C ATOM 0 H VAL A 23 2.854 5.683 -3.984 1.00 0.00 H new ATOM 0 HA VAL A 23 0.889 7.664 -4.922 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.297 5.906 -3.648 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.196 5.548 -1.263 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.568 5.089 -2.299 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.608 6.623 -1.398 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.340 7.352 -1.950 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.002 8.509 -2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.092 8.210 -3.490 1.00 0.00 H new ATOM 90 N THR A 24 2.034 9.470 -3.644 1.00 0.00 N ATOM 91 CA THR A 24 2.799 10.541 -3.015 1.00 0.00 C ATOM 92 C THR A 24 2.091 11.052 -1.765 1.00 0.00 C ATOM 93 O THR A 24 1.264 11.961 -1.835 1.00 0.00 O ATOM 94 CB THR A 24 3.013 11.691 -3.998 1.00 0.00 C ATOM 95 OG1 THR A 24 3.370 11.199 -5.278 1.00 0.00 O ATOM 96 CG2 THR A 24 4.093 12.657 -3.562 1.00 0.00 C ATOM 0 H THR A 24 1.332 9.789 -4.311 1.00 0.00 H new ATOM 0 HA THR A 24 3.769 10.137 -2.724 1.00 0.00 H new ATOM 0 HB THR A 24 2.062 12.223 -4.030 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.501 11.951 -5.893 1.00 0.00 H new ATOM 0 HG21 THR A 24 4.194 13.449 -4.304 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.824 13.093 -2.600 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.040 12.126 -3.467 1.00 0.00 H new ATOM 104 N LEU A 25 2.421 10.462 -0.621 1.00 0.00 N ATOM 105 CA LEU A 25 1.818 10.859 0.646 1.00 0.00 C ATOM 106 C LEU A 25 2.581 12.022 1.270 1.00 0.00 C ATOM 107 O LEU A 25 3.802 12.116 1.144 1.00 0.00 O ATOM 108 CB LEU A 25 1.788 9.676 1.614 1.00 0.00 C ATOM 109 CG LEU A 25 1.086 8.424 1.085 1.00 0.00 C ATOM 110 CD1 LEU A 25 1.648 7.176 1.748 1.00 0.00 C ATOM 111 CD2 LEU A 25 -0.415 8.520 1.313 1.00 0.00 C ATOM 0 H LEU A 25 3.103 9.707 -0.545 1.00 0.00 H new ATOM 0 HA LEU A 25 0.796 11.182 0.448 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.813 9.415 1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.293 9.991 2.533 1.00 0.00 H new ATOM 0 HG LEU A 25 1.268 8.354 0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.136 6.296 1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.714 7.100 1.535 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.497 7.237 2.826 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.899 7.621 0.931 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.616 8.614 2.380 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.807 9.393 0.791 1.00 0.00 H new ATOM 123 N GLN A 26 1.852 12.908 1.944 1.00 0.00 N ATOM 124 CA GLN A 26 2.460 14.065 2.588 1.00 0.00 C ATOM 125 C GLN A 26 2.808 13.759 4.041 1.00 0.00 C ATOM 126 O GLN A 26 1.951 13.336 4.818 1.00 0.00 O ATOM 127 CB GLN A 26 1.517 15.267 2.518 1.00 0.00 C ATOM 128 CG GLN A 26 1.374 15.848 1.122 1.00 0.00 C ATOM 129 CD GLN A 26 0.160 15.314 0.388 1.00 0.00 C ATOM 130 OE1 GLN A 26 0.306 14.144 -0.224 1.00 0.00 O flip ATOM 131 NE2 GLN A 26 -0.899 15.942 0.373 1.00 0.00 N flip ATOM 0 H GLN A 26 0.840 12.845 2.057 1.00 0.00 H new ATOM 0 HA GLN A 26 3.381 14.304 2.056 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.533 14.968 2.880 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.882 16.044 3.190 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.304 16.934 1.190 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.271 15.622 0.545 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.968 16.837 0.856 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.707 15.567 -0.123 1.00 0.00 H new ATOM 140 N LYS A 27 4.067 13.977 4.402 1.00 0.00 N ATOM 141 CA LYS A 27 4.528 13.725 5.762 1.00 0.00 C ATOM 142 C LYS A 27 3.741 14.559 6.767 1.00 0.00 C ATOM 143 O LYS A 27 3.406 15.714 6.503 1.00 0.00 O ATOM 144 CB LYS A 27 6.021 14.033 5.882 1.00 0.00 C ATOM 145 CG LYS A 27 6.900 13.125 5.037 1.00 0.00 C ATOM 146 CD LYS A 27 7.608 12.082 5.887 1.00 0.00 C ATOM 147 CE LYS A 27 8.013 10.869 5.064 1.00 0.00 C ATOM 148 NZ LYS A 27 7.200 9.669 5.404 1.00 0.00 N ATOM 0 H LYS A 27 4.788 14.328 3.771 1.00 0.00 H new ATOM 0 HA LYS A 27 4.363 12.671 5.985 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.195 15.068 5.589 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.319 13.944 6.927 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.291 12.628 4.282 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.639 13.725 4.506 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.493 12.524 6.344 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.953 11.769 6.700 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.899 11.096 4.004 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.068 10.652 5.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.361 8.928 4.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.478 9.315 6.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.192 9.925 5.416 1.00 0.00 H new ATOM 162 N ASP A 28 3.445 13.965 7.919 1.00 0.00 N ATOM 163 CA ASP A 28 2.695 14.655 8.963 1.00 0.00 C ATOM 164 C ASP A 28 3.594 15.614 9.738 1.00 0.00 C ATOM 165 O ASP A 28 4.724 15.884 9.332 1.00 0.00 O ATOM 166 CB ASP A 28 2.064 13.640 9.920 1.00 0.00 C ATOM 167 CG ASP A 28 0.627 13.987 10.262 1.00 0.00 C ATOM 168 OD1 ASP A 28 -0.121 14.394 9.349 1.00 0.00 O ATOM 169 OD2 ASP A 28 0.252 13.852 11.446 1.00 0.00 O ATOM 0 H ASP A 28 3.713 13.009 8.153 1.00 0.00 H new ATOM 0 HA ASP A 28 1.905 15.235 8.486 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.098 12.648 9.469 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.652 13.594 10.836 1.00 0.00 H new ATOM 174 N ALA A 29 3.085 16.125 10.853 1.00 0.00 N ATOM 175 CA ALA A 29 3.841 17.053 11.684 1.00 0.00 C ATOM 176 C ALA A 29 5.014 16.353 12.364 1.00 0.00 C ATOM 177 O ALA A 29 6.040 16.972 12.644 1.00 0.00 O ATOM 178 CB ALA A 29 2.932 17.694 12.722 1.00 0.00 C ATOM 0 H ALA A 29 2.151 15.912 11.202 1.00 0.00 H new ATOM 0 HA ALA A 29 4.243 17.834 11.038 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.511 18.385 13.335 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.132 18.238 12.219 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.501 16.919 13.356 1.00 0.00 H new ATOM 184 N GLN A 30 4.851 15.061 12.628 1.00 0.00 N ATOM 185 CA GLN A 30 5.896 14.278 13.276 1.00 0.00 C ATOM 186 C GLN A 30 6.701 13.486 12.249 1.00 0.00 C ATOM 187 O GLN A 30 7.224 12.415 12.552 1.00 0.00 O ATOM 188 CB GLN A 30 5.283 13.325 14.304 1.00 0.00 C ATOM 189 CG GLN A 30 4.278 12.353 13.708 1.00 0.00 C ATOM 190 CD GLN A 30 3.026 12.216 14.552 1.00 0.00 C ATOM 191 OE1 GLN A 30 2.588 11.109 14.860 1.00 0.00 O ATOM 192 NE2 GLN A 30 2.442 13.348 14.929 1.00 0.00 N ATOM 0 H GLN A 30 4.007 14.535 12.404 1.00 0.00 H new ATOM 0 HA GLN A 30 6.570 14.968 13.784 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.081 12.760 14.785 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.793 13.910 15.082 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.002 12.689 12.708 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.746 11.375 13.598 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.840 14.245 14.650 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.595 13.320 15.497 1.00 0.00 H new ATOM 201 N ASN A 31 6.796 14.025 11.033 1.00 0.00 N ATOM 202 CA ASN A 31 7.537 13.378 9.951 1.00 0.00 C ATOM 203 C ASN A 31 7.256 11.876 9.898 1.00 0.00 C ATOM 204 O ASN A 31 8.172 11.070 9.727 1.00 0.00 O ATOM 205 CB ASN A 31 9.039 13.626 10.111 1.00 0.00 C ATOM 206 CG ASN A 31 9.577 13.121 11.436 1.00 0.00 C ATOM 207 OD1 ASN A 31 9.700 13.878 12.398 1.00 0.00 O ATOM 208 ND2 ASN A 31 9.901 11.833 11.492 1.00 0.00 N ATOM 0 H ASN A 31 6.366 14.913 10.772 1.00 0.00 H new ATOM 0 HA ASN A 31 7.200 13.816 9.012 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.573 13.137 9.296 1.00 0.00 H new ATOM 0 HB3 ASN A 31 9.238 14.694 10.026 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.268 11.437 12.357 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.783 11.241 10.670 1.00 0.00 H new ATOM 215 N LEU A 32 5.988 11.509 10.046 1.00 0.00 N ATOM 216 CA LEU A 32 5.590 10.107 10.014 1.00 0.00 C ATOM 217 C LEU A 32 4.226 9.940 9.354 1.00 0.00 C ATOM 218 O LEU A 32 3.190 10.171 9.977 1.00 0.00 O ATOM 219 CB LEU A 32 5.556 9.532 11.433 1.00 0.00 C ATOM 220 CG LEU A 32 6.921 9.395 12.109 1.00 0.00 C ATOM 221 CD1 LEU A 32 6.757 9.237 13.612 1.00 0.00 C ATOM 222 CD2 LEU A 32 7.685 8.217 11.527 1.00 0.00 C ATOM 0 H LEU A 32 5.218 12.163 10.189 1.00 0.00 H new ATOM 0 HA LEU A 32 6.327 9.562 9.424 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.924 10.169 12.052 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.084 8.550 11.400 1.00 0.00 H new ATOM 0 HG LEU A 32 7.494 10.303 11.921 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.738 9.141 14.077 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.248 10.112 14.016 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.167 8.345 13.822 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.654 8.133 12.019 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.117 7.300 11.686 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.833 8.371 10.458 1.00 0.00 H new ATOM 234 N ILE A 33 4.233 9.536 8.087 1.00 0.00 N ATOM 235 CA ILE A 33 2.997 9.336 7.339 1.00 0.00 C ATOM 236 C ILE A 33 2.069 8.361 8.058 1.00 0.00 C ATOM 237 O ILE A 33 0.848 8.425 7.908 1.00 0.00 O ATOM 238 CB ILE A 33 3.274 8.812 5.915 1.00 0.00 C ATOM 239 CG1 ILE A 33 4.267 7.650 5.956 1.00 0.00 C ATOM 240 CG2 ILE A 33 3.801 9.933 5.033 1.00 0.00 C ATOM 241 CD1 ILE A 33 4.454 6.971 4.616 1.00 0.00 C ATOM 0 H ILE A 33 5.082 9.341 7.557 1.00 0.00 H new ATOM 0 HA ILE A 33 2.512 10.310 7.269 1.00 0.00 H new ATOM 0 HB ILE A 33 2.338 8.449 5.491 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.231 8.018 6.306 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.924 6.914 6.683 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.992 9.548 4.031 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.062 10.732 4.980 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.727 10.323 5.455 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.171 6.156 4.718 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.499 6.573 4.273 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.827 7.694 3.891 1.00 0.00 H new ATOM 253 N GLY A 34 2.653 7.463 8.845 1.00 0.00 N ATOM 254 CA GLY A 34 1.860 6.495 9.581 1.00 0.00 C ATOM 255 C GLY A 34 1.593 5.231 8.787 1.00 0.00 C ATOM 256 O GLY A 34 0.536 5.087 8.175 1.00 0.00 O ATOM 0 H GLY A 34 3.660 7.388 8.986 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.377 6.236 10.505 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.910 6.949 9.863 1.00 0.00 H new ATOM 260 N ILE A 35 2.553 4.311 8.804 1.00 0.00 N ATOM 261 CA ILE A 35 2.421 3.046 8.087 1.00 0.00 C ATOM 262 C ILE A 35 3.451 2.034 8.573 1.00 0.00 C ATOM 263 O ILE A 35 4.654 2.292 8.536 1.00 0.00 O ATOM 264 CB ILE A 35 2.586 3.230 6.564 1.00 0.00 C ATOM 265 CG1 ILE A 35 3.760 4.162 6.261 1.00 0.00 C ATOM 266 CG2 ILE A 35 1.302 3.765 5.949 1.00 0.00 C ATOM 267 CD1 ILE A 35 4.628 3.686 5.117 1.00 0.00 C ATOM 0 H ILE A 35 3.433 4.418 9.308 1.00 0.00 H new ATOM 0 HA ILE A 35 1.416 2.676 8.291 1.00 0.00 H new ATOM 0 HB ILE A 35 2.798 2.257 6.120 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.375 5.154 6.026 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.374 4.262 7.156 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.437 3.888 4.874 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.490 3.062 6.134 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.058 4.728 6.397 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.441 4.395 4.957 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.042 2.707 5.358 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.027 3.613 4.210 1.00 0.00 H new ATOM 279 N SER A 36 2.973 0.881 9.028 1.00 0.00 N ATOM 280 CA SER A 36 3.856 -0.170 9.520 1.00 0.00 C ATOM 281 C SER A 36 4.341 -1.050 8.373 1.00 0.00 C ATOM 282 O SER A 36 3.660 -1.195 7.360 1.00 0.00 O ATOM 283 CB SER A 36 3.135 -1.023 10.566 1.00 0.00 C ATOM 284 OG SER A 36 4.046 -1.863 11.254 1.00 0.00 O ATOM 0 H SER A 36 1.980 0.651 9.066 1.00 0.00 H new ATOM 0 HA SER A 36 4.722 0.302 9.984 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.623 -0.376 11.278 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.371 -1.630 10.081 1.00 0.00 H new ATOM 0 HG SER A 36 3.561 -2.397 11.918 1.00 0.00 H new ATOM 290 N ILE A 37 5.523 -1.635 8.541 1.00 0.00 N ATOM 291 CA ILE A 37 6.099 -2.501 7.519 1.00 0.00 C ATOM 292 C ILE A 37 6.975 -3.581 8.144 1.00 0.00 C ATOM 293 O ILE A 37 7.558 -3.383 9.209 1.00 0.00 O ATOM 294 CB ILE A 37 6.938 -1.698 6.507 1.00 0.00 C ATOM 295 CG1 ILE A 37 7.950 -0.813 7.237 1.00 0.00 C ATOM 296 CG2 ILE A 37 6.033 -0.856 5.619 1.00 0.00 C ATOM 297 CD1 ILE A 37 9.242 -1.525 7.573 1.00 0.00 C ATOM 0 H ILE A 37 6.100 -1.525 9.375 1.00 0.00 H new ATOM 0 HA ILE A 37 5.265 -2.969 6.996 1.00 0.00 H new ATOM 0 HB ILE A 37 7.486 -2.398 5.876 1.00 0.00 H new ATOM 0 HG12 ILE A 37 8.174 0.056 6.618 1.00 0.00 H new ATOM 0 HG13 ILE A 37 7.499 -0.442 8.157 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.640 -0.294 4.909 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.349 -1.507 5.075 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.461 -0.163 6.236 1.00 0.00 H new ATOM 0 HD11 ILE A 37 9.912 -0.838 8.089 1.00 0.00 H new ATOM 0 HD12 ILE A 37 9.030 -2.378 8.217 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.715 -1.873 6.655 1.00 0.00 H new ATOM 309 N GLY A 38 7.064 -4.726 7.472 1.00 0.00 N ATOM 310 CA GLY A 38 7.871 -5.820 7.978 1.00 0.00 C ATOM 311 C GLY A 38 8.756 -6.433 6.909 1.00 0.00 C ATOM 312 O GLY A 38 8.321 -7.306 6.159 1.00 0.00 O ATOM 0 H GLY A 38 6.592 -4.914 6.588 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.493 -5.459 8.797 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.217 -6.589 8.389 1.00 0.00 H new ATOM 316 N GLY A 39 10.002 -5.974 6.841 1.00 0.00 N ATOM 317 CA GLY A 39 10.931 -6.494 5.855 1.00 0.00 C ATOM 318 C GLY A 39 12.353 -6.023 6.092 1.00 0.00 C ATOM 319 O GLY A 39 12.582 -4.860 6.423 1.00 0.00 O ATOM 0 H GLY A 39 10.384 -5.252 7.451 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.904 -7.584 5.875 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.610 -6.185 4.860 1.00 0.00 H new ATOM 414 N LEU A 47 9.292 -6.082 1.742 1.00 0.00 N ATOM 415 CA LEU A 47 8.676 -5.474 2.917 1.00 0.00 C ATOM 416 C LEU A 47 7.155 -5.551 2.832 1.00 0.00 C ATOM 417 O LEU A 47 6.564 -5.223 1.803 1.00 0.00 O ATOM 418 CB LEU A 47 9.119 -4.014 3.051 1.00 0.00 C ATOM 419 CG LEU A 47 10.284 -3.776 4.015 1.00 0.00 C ATOM 420 CD1 LEU A 47 11.572 -4.359 3.453 1.00 0.00 C ATOM 421 CD2 LEU A 47 10.447 -2.289 4.292 1.00 0.00 C ATOM 0 HA LEU A 47 9.001 -6.028 3.798 1.00 0.00 H new ATOM 0 HB2 LEU A 47 9.402 -3.644 2.065 1.00 0.00 H new ATOM 0 HB3 LEU A 47 8.267 -3.421 3.382 1.00 0.00 H new ATOM 0 HG LEU A 47 10.062 -4.281 4.955 1.00 0.00 H new ATOM 0 HD11 LEU A 47 12.388 -4.180 4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 47 11.451 -5.432 3.304 1.00 0.00 H new ATOM 0 HD13 LEU A 47 11.801 -3.884 2.499 1.00 0.00 H new ATOM 0 HD21 LEU A 47 11.279 -2.136 4.979 1.00 0.00 H new ATOM 0 HD22 LEU A 47 10.647 -1.765 3.358 1.00 0.00 H new ATOM 0 HD23 LEU A 47 9.532 -1.900 4.738 1.00 0.00 H new ATOM 433 N TYR A 48 6.527 -5.989 3.920 1.00 0.00 N ATOM 434 CA TYR A 48 5.075 -6.108 3.966 1.00 0.00 C ATOM 435 C TYR A 48 4.472 -5.078 4.915 1.00 0.00 C ATOM 436 O TYR A 48 4.873 -4.977 6.074 1.00 0.00 O ATOM 437 CB TYR A 48 4.672 -7.520 4.402 1.00 0.00 C ATOM 438 CG TYR A 48 3.604 -8.141 3.529 1.00 0.00 C ATOM 439 CD1 TYR A 48 2.489 -7.412 3.137 1.00 0.00 C ATOM 440 CD2 TYR A 48 3.712 -9.458 3.097 1.00 0.00 C ATOM 441 CE1 TYR A 48 1.511 -7.975 2.339 1.00 0.00 C ATOM 442 CE2 TYR A 48 2.739 -10.028 2.299 1.00 0.00 C ATOM 443 CZ TYR A 48 1.641 -9.283 1.924 1.00 0.00 C ATOM 444 OH TYR A 48 0.669 -9.849 1.129 1.00 0.00 O ATOM 0 H TYR A 48 7.001 -6.267 4.779 1.00 0.00 H new ATOM 0 HA TYR A 48 4.689 -5.920 2.964 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.554 -8.160 4.393 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.314 -7.485 5.431 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.384 -6.387 3.461 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.570 -10.045 3.390 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.650 -7.394 2.042 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.838 -11.052 1.970 1.00 0.00 H new ATOM 0 HH TYR A 48 0.913 -10.776 0.924 1.00 0.00 H new ATOM 454 N ILE A 49 3.507 -4.311 4.414 1.00 0.00 N ATOM 455 CA ILE A 49 2.850 -3.287 5.216 1.00 0.00 C ATOM 456 C ILE A 49 1.845 -3.908 6.181 1.00 0.00 C ATOM 457 O ILE A 49 1.093 -4.811 5.816 1.00 0.00 O ATOM 458 CB ILE A 49 2.121 -2.260 4.327 1.00 0.00 C ATOM 459 CG1 ILE A 49 3.069 -1.714 3.258 1.00 0.00 C ATOM 460 CG2 ILE A 49 1.558 -1.127 5.173 1.00 0.00 C ATOM 461 CD1 ILE A 49 2.371 -0.898 2.191 1.00 0.00 C ATOM 0 H ILE A 49 3.164 -4.381 3.456 1.00 0.00 H new ATOM 0 HA ILE A 49 3.630 -2.779 5.783 1.00 0.00 H new ATOM 0 HB ILE A 49 1.291 -2.760 3.829 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.828 -1.096 3.738 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.589 -2.547 2.785 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.047 -0.411 4.529 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.852 -1.531 5.899 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.371 -0.626 5.698 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.104 -0.543 1.467 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.631 -1.518 1.685 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.874 -0.045 2.652 1.00 0.00 H new ATOM 473 N VAL A 50 1.836 -3.413 7.415 1.00 0.00 N ATOM 474 CA VAL A 50 0.919 -3.914 8.433 1.00 0.00 C ATOM 475 C VAL A 50 -0.255 -2.958 8.619 1.00 0.00 C ATOM 476 O VAL A 50 -0.425 -2.014 7.847 1.00 0.00 O ATOM 477 CB VAL A 50 1.622 -4.126 9.795 1.00 0.00 C ATOM 478 CG1 VAL A 50 1.120 -5.397 10.463 1.00 0.00 C ATOM 479 CG2 VAL A 50 3.137 -4.170 9.629 1.00 0.00 C ATOM 0 H VAL A 50 2.453 -2.666 7.734 1.00 0.00 H new ATOM 0 HA VAL A 50 0.556 -4.879 8.080 1.00 0.00 H new ATOM 0 HB VAL A 50 1.378 -3.279 10.436 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.626 -5.529 11.419 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.045 -5.321 10.628 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.329 -6.253 9.821 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.605 -4.320 10.602 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.407 -4.992 8.966 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.484 -3.230 9.201 1.00 0.00 H new ATOM 489 N GLN A 51 -1.064 -3.206 9.644 1.00 0.00 N ATOM 490 CA GLN A 51 -2.220 -2.362 9.922 1.00 0.00 C ATOM 491 C GLN A 51 -1.793 -0.929 10.223 1.00 0.00 C ATOM 492 O GLN A 51 -0.981 -0.687 11.115 1.00 0.00 O ATOM 493 CB GLN A 51 -3.017 -2.927 11.100 1.00 0.00 C ATOM 494 CG GLN A 51 -2.243 -2.937 12.408 1.00 0.00 C ATOM 495 CD GLN A 51 -2.364 -4.254 13.149 1.00 0.00 C ATOM 496 OE1 GLN A 51 -1.446 -5.074 13.139 1.00 0.00 O ATOM 497 NE2 GLN A 51 -3.504 -4.466 13.798 1.00 0.00 N ATOM 0 H GLN A 51 -0.941 -3.982 10.294 1.00 0.00 H new ATOM 0 HA GLN A 51 -2.852 -2.352 9.034 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.925 -2.338 11.229 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.328 -3.945 10.863 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.191 -2.734 12.205 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.605 -2.131 13.046 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.240 -3.760 13.781 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.643 -5.335 14.314 1.00 0.00 H new ATOM 506 N VAL A 52 -2.348 0.017 9.472 1.00 0.00 N ATOM 507 CA VAL A 52 -2.027 1.429 9.656 1.00 0.00 C ATOM 508 C VAL A 52 -2.704 1.987 10.902 1.00 0.00 C ATOM 509 O VAL A 52 -3.628 1.381 11.445 1.00 0.00 O ATOM 510 CB VAL A 52 -2.461 2.274 8.442 1.00 0.00 C ATOM 511 CG1 VAL A 52 -1.760 3.624 8.450 1.00 0.00 C ATOM 512 CG2 VAL A 52 -2.188 1.532 7.142 1.00 0.00 C ATOM 0 H VAL A 52 -3.023 -0.168 8.730 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.944 1.490 9.766 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.535 2.447 8.514 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.080 4.205 7.585 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.016 4.161 9.363 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.681 3.474 8.407 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.502 2.147 6.299 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.122 1.322 7.060 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.744 0.595 7.134 1.00 0.00 H new ATOM 522 N PHE A 53 -2.243 3.150 11.346 1.00 0.00 N ATOM 523 CA PHE A 53 -2.808 3.799 12.522 1.00 0.00 C ATOM 524 C PHE A 53 -3.857 4.826 12.114 1.00 0.00 C ATOM 525 O PHE A 53 -3.796 5.390 11.022 1.00 0.00 O ATOM 526 CB PHE A 53 -1.706 4.471 13.341 1.00 0.00 C ATOM 527 CG PHE A 53 -0.915 3.511 14.182 1.00 0.00 C ATOM 528 CD1 PHE A 53 -0.131 2.533 13.589 1.00 0.00 C ATOM 529 CD2 PHE A 53 -0.952 3.587 15.565 1.00 0.00 C ATOM 530 CE1 PHE A 53 0.599 1.650 14.360 1.00 0.00 C ATOM 531 CE2 PHE A 53 -0.224 2.705 16.342 1.00 0.00 C ATOM 532 CZ PHE A 53 0.552 1.735 15.738 1.00 0.00 C ATOM 0 H PHE A 53 -1.478 3.664 10.908 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.287 3.037 13.137 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.029 4.993 12.665 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.154 5.225 13.988 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.091 2.461 12.512 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.557 4.344 16.042 1.00 0.00 H new ATOM 0 HE1 PHE A 53 1.206 0.893 13.886 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.262 2.774 17.419 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.121 1.044 16.342 1.00 0.00 H new ATOM 542 N ASP A 54 -4.824 5.059 12.992 1.00 0.00 N ATOM 543 CA ASP A 54 -5.889 6.017 12.719 1.00 0.00 C ATOM 544 C ASP A 54 -5.376 7.451 12.803 1.00 0.00 C ATOM 545 O ASP A 54 -4.354 7.722 13.433 1.00 0.00 O ATOM 546 CB ASP A 54 -7.045 5.818 13.700 1.00 0.00 C ATOM 547 CG ASP A 54 -8.346 6.401 13.187 1.00 0.00 C ATOM 548 OD1 ASP A 54 -8.491 7.641 13.206 1.00 0.00 O ATOM 549 OD2 ASP A 54 -9.222 5.616 12.764 1.00 0.00 O ATOM 0 H ASP A 54 -4.893 4.598 13.899 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.246 5.841 11.704 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.177 4.753 13.890 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.793 6.283 14.653 1.00 0.00 H new ATOM 554 N ASN A 55 -6.099 8.366 12.163 1.00 0.00 N ATOM 555 CA ASN A 55 -5.733 9.779 12.162 1.00 0.00 C ATOM 556 C ASN A 55 -4.402 10.013 11.450 1.00 0.00 C ATOM 557 O ASN A 55 -3.742 11.026 11.675 1.00 0.00 O ATOM 558 CB ASN A 55 -5.656 10.312 13.594 1.00 0.00 C ATOM 559 CG ASN A 55 -6.975 10.183 14.331 1.00 0.00 C ATOM 560 OD1 ASN A 55 -7.847 11.046 14.221 1.00 0.00 O ATOM 561 ND2 ASN A 55 -7.129 9.103 15.086 1.00 0.00 N ATOM 0 H ASN A 55 -6.946 8.152 11.636 1.00 0.00 H new ATOM 0 HA ASN A 55 -6.509 10.318 11.618 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.884 9.770 14.139 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.356 11.360 13.573 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.996 8.962 15.604 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -6.380 8.413 15.148 1.00 0.00 H new ATOM 568 N THR A 56 -4.015 9.078 10.585 1.00 0.00 N ATOM 569 CA THR A 56 -2.765 9.205 9.843 1.00 0.00 C ATOM 570 C THR A 56 -3.033 9.648 8.408 1.00 0.00 C ATOM 571 O THR A 56 -4.070 9.316 7.833 1.00 0.00 O ATOM 572 CB THR A 56 -2.003 7.879 9.843 1.00 0.00 C ATOM 573 OG1 THR A 56 -2.801 6.842 9.305 1.00 0.00 O ATOM 574 CG2 THR A 56 -1.549 7.448 11.219 1.00 0.00 C ATOM 0 H THR A 56 -4.545 8.231 10.382 1.00 0.00 H new ATOM 0 HA THR A 56 -2.156 9.962 10.336 1.00 0.00 H new ATOM 0 HB THR A 56 -1.120 8.054 9.229 1.00 0.00 H new ATOM 0 HG1 THR A 56 -2.850 6.102 9.945 1.00 0.00 H new ATOM 0 HG21 THR A 56 -1.015 6.500 11.146 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.887 8.206 11.638 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.417 7.327 11.867 1.00 0.00 H new ATOM 582 N PRO A 57 -2.100 10.405 7.807 1.00 0.00 N ATOM 583 CA PRO A 57 -2.245 10.888 6.431 1.00 0.00 C ATOM 584 C PRO A 57 -2.354 9.742 5.429 1.00 0.00 C ATOM 585 O PRO A 57 -2.980 9.879 4.378 1.00 0.00 O ATOM 586 CB PRO A 57 -0.966 11.697 6.187 1.00 0.00 C ATOM 587 CG PRO A 57 -0.003 11.229 7.226 1.00 0.00 C ATOM 588 CD PRO A 57 -0.835 10.844 8.416 1.00 0.00 C ATOM 0 HA PRO A 57 -3.156 11.472 6.301 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.577 11.525 5.183 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.154 12.767 6.277 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.579 10.381 6.865 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.706 12.016 7.484 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.368 10.047 8.994 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.984 11.685 9.094 1.00 0.00 H new ATOM 596 N ALA A 58 -1.743 8.611 5.767 1.00 0.00 N ATOM 597 CA ALA A 58 -1.770 7.439 4.901 1.00 0.00 C ATOM 598 C ALA A 58 -3.111 6.719 5.000 1.00 0.00 C ATOM 599 O ALA A 58 -3.581 6.123 4.031 1.00 0.00 O ATOM 600 CB ALA A 58 -0.634 6.493 5.259 1.00 0.00 C ATOM 0 H ALA A 58 -1.223 8.482 6.635 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.639 7.773 3.872 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.666 5.622 4.605 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.320 7.006 5.134 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.740 6.172 6.295 1.00 0.00 H new ATOM 606 N ALA A 59 -3.725 6.781 6.178 1.00 0.00 N ATOM 607 CA ALA A 59 -5.013 6.137 6.405 1.00 0.00 C ATOM 608 C ALA A 59 -6.163 7.063 6.022 1.00 0.00 C ATOM 609 O ALA A 59 -7.228 6.607 5.607 1.00 0.00 O ATOM 610 CB ALA A 59 -5.140 5.708 7.858 1.00 0.00 C ATOM 0 H ALA A 59 -3.350 7.271 6.990 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.066 5.252 5.771 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.107 5.229 8.013 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.343 5.005 8.101 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.061 6.583 8.504 1.00 0.00 H new ATOM 616 N LEU A 60 -5.938 8.365 6.163 1.00 0.00 N ATOM 617 CA LEU A 60 -6.956 9.356 5.831 1.00 0.00 C ATOM 618 C LEU A 60 -7.044 9.556 4.323 1.00 0.00 C ATOM 619 O LEU A 60 -8.121 9.803 3.781 1.00 0.00 O ATOM 620 CB LEU A 60 -6.645 10.689 6.517 1.00 0.00 C ATOM 621 CG LEU A 60 -6.640 10.648 8.047 1.00 0.00 C ATOM 622 CD1 LEU A 60 -5.807 11.789 8.607 1.00 0.00 C ATOM 623 CD2 LEU A 60 -8.062 10.709 8.584 1.00 0.00 C ATOM 0 H LEU A 60 -5.061 8.759 6.504 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.917 8.988 6.189 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.670 11.036 6.175 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.378 11.427 6.191 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.192 9.707 8.367 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.814 11.745 9.696 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.782 11.702 8.247 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.226 12.740 8.280 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.041 10.679 9.673 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.536 11.634 8.256 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.630 9.858 8.208 1.00 0.00 H new ATOM 635 N ASP A 61 -5.904 9.447 3.649 1.00 0.00 N ATOM 636 CA ASP A 61 -5.852 9.614 2.201 1.00 0.00 C ATOM 637 C ASP A 61 -6.411 8.383 1.493 1.00 0.00 C ATOM 638 O ASP A 61 -7.135 8.499 0.504 1.00 0.00 O ATOM 639 CB ASP A 61 -4.414 9.869 1.747 1.00 0.00 C ATOM 640 CG ASP A 61 -4.340 10.399 0.328 1.00 0.00 C ATOM 641 OD1 ASP A 61 -5.115 11.320 -0.001 1.00 0.00 O ATOM 642 OD2 ASP A 61 -3.509 9.890 -0.452 1.00 0.00 O ATOM 0 H ASP A 61 -5.003 9.244 4.082 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.466 10.475 1.936 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.944 10.583 2.423 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.845 8.942 1.816 1.00 0.00 H new ATOM 647 N GLY A 62 -6.070 7.206 2.007 1.00 0.00 N ATOM 648 CA GLY A 62 -6.546 5.971 1.412 1.00 0.00 C ATOM 649 C GLY A 62 -5.754 5.576 0.181 1.00 0.00 C ATOM 650 O GLY A 62 -6.111 5.939 -0.939 1.00 0.00 O ATOM 0 H GLY A 62 -5.473 7.085 2.825 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.488 5.170 2.149 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.597 6.082 1.144 1.00 0.00 H new ATOM 654 N THR A 63 -4.674 4.829 0.391 1.00 0.00 N ATOM 655 CA THR A 63 -3.827 4.383 -0.711 1.00 0.00 C ATOM 656 C THR A 63 -3.029 3.145 -0.317 1.00 0.00 C ATOM 657 O THR A 63 -2.979 2.163 -1.060 1.00 0.00 O ATOM 658 CB THR A 63 -2.871 5.500 -1.131 1.00 0.00 C ATOM 659 OG1 THR A 63 -1.984 5.049 -2.140 1.00 0.00 O ATOM 660 CG2 THR A 63 -2.031 6.032 0.011 1.00 0.00 C ATOM 0 H THR A 63 -4.365 4.520 1.313 1.00 0.00 H new ATOM 0 HA THR A 63 -4.473 4.128 -1.551 1.00 0.00 H new ATOM 0 HB THR A 63 -3.511 6.303 -1.496 1.00 0.00 H new ATOM 0 HG1 THR A 63 -2.302 5.354 -3.015 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.375 6.822 -0.357 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.683 6.434 0.786 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.428 5.224 0.426 1.00 0.00 H new ATOM 668 N VAL A 64 -2.405 3.198 0.854 1.00 0.00 N ATOM 669 CA VAL A 64 -1.605 2.084 1.348 1.00 0.00 C ATOM 670 C VAL A 64 -2.072 1.639 2.729 1.00 0.00 C ATOM 671 O VAL A 64 -2.345 2.466 3.599 1.00 0.00 O ATOM 672 CB VAL A 64 -0.114 2.459 1.417 1.00 0.00 C ATOM 673 CG1 VAL A 64 0.481 2.546 0.020 1.00 0.00 C ATOM 674 CG2 VAL A 64 0.071 3.770 2.165 1.00 0.00 C ATOM 0 H VAL A 64 -2.438 4.003 1.480 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.736 1.261 0.645 1.00 0.00 H new ATOM 0 HB VAL A 64 0.414 1.677 1.963 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.536 2.812 0.090 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.382 1.582 -0.478 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.048 3.307 -0.554 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.131 4.020 2.204 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.470 4.563 1.649 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.316 3.668 3.179 1.00 0.00 H new ATOM 684 N ALA A 65 -2.162 0.327 2.924 1.00 0.00 N ATOM 685 CA ALA A 65 -2.595 -0.229 4.200 1.00 0.00 C ATOM 686 C ALA A 65 -2.282 -1.718 4.285 1.00 0.00 C ATOM 687 O ALA A 65 -1.683 -2.290 3.373 1.00 0.00 O ATOM 688 CB ALA A 65 -4.084 0.012 4.400 1.00 0.00 C ATOM 0 H ALA A 65 -1.941 -0.371 2.214 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.045 0.276 4.994 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.395 -0.408 5.357 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.283 1.084 4.392 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.641 -0.467 3.595 1.00 0.00 H new ATOM 694 N ALA A 66 -2.691 -2.345 5.384 1.00 0.00 N ATOM 695 CA ALA A 66 -2.455 -3.771 5.587 1.00 0.00 C ATOM 696 C ALA A 66 -3.049 -4.593 4.449 1.00 0.00 C ATOM 697 O ALA A 66 -4.212 -4.996 4.502 1.00 0.00 O ATOM 698 CB ALA A 66 -3.033 -4.216 6.922 1.00 0.00 C ATOM 0 H ALA A 66 -3.188 -1.888 6.148 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.378 -3.939 5.596 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.850 -5.282 7.061 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.557 -3.658 7.729 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.107 -4.028 6.935 1.00 0.00 H new ATOM 704 N GLY A 67 -2.243 -4.841 3.422 1.00 0.00 N ATOM 705 CA GLY A 67 -2.705 -5.615 2.286 1.00 0.00 C ATOM 706 C GLY A 67 -1.783 -5.493 1.089 1.00 0.00 C ATOM 707 O GLY A 67 -1.666 -6.423 0.289 1.00 0.00 O ATOM 0 H GLY A 67 -1.277 -4.519 3.357 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.786 -6.663 2.573 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.705 -5.283 2.006 1.00 0.00 H new ATOM 711 N ASP A 68 -1.128 -4.344 0.965 1.00 0.00 N ATOM 712 CA ASP A 68 -0.212 -4.102 -0.144 1.00 0.00 C ATOM 713 C ASP A 68 1.211 -4.506 0.228 1.00 0.00 C ATOM 714 O ASP A 68 1.476 -4.916 1.359 1.00 0.00 O ATOM 715 CB ASP A 68 -0.246 -2.627 -0.549 1.00 0.00 C ATOM 716 CG ASP A 68 -1.641 -2.159 -0.910 1.00 0.00 C ATOM 717 OD1 ASP A 68 -2.502 -3.020 -1.192 1.00 0.00 O ATOM 718 OD2 ASP A 68 -1.875 -0.932 -0.911 1.00 0.00 O ATOM 0 H ASP A 68 -1.214 -3.566 1.618 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.535 -4.711 -0.988 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.137 -2.019 0.270 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.418 -2.471 -1.399 1.00 0.00 H new ATOM 723 N GLU A 69 2.125 -4.389 -0.730 1.00 0.00 N ATOM 724 CA GLU A 69 3.521 -4.742 -0.503 1.00 0.00 C ATOM 725 C GLU A 69 4.447 -3.616 -0.950 1.00 0.00 C ATOM 726 O GLU A 69 4.636 -3.392 -2.146 1.00 0.00 O ATOM 727 CB GLU A 69 3.870 -6.032 -1.246 1.00 0.00 C ATOM 728 CG GLU A 69 5.148 -6.691 -0.754 1.00 0.00 C ATOM 729 CD GLU A 69 5.321 -8.100 -1.285 1.00 0.00 C ATOM 730 OE1 GLU A 69 4.847 -9.047 -0.624 1.00 0.00 O ATOM 731 OE2 GLU A 69 5.931 -8.256 -2.365 1.00 0.00 O ATOM 0 H GLU A 69 1.923 -4.052 -1.671 1.00 0.00 H new ATOM 0 HA GLU A 69 3.661 -4.899 0.567 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.045 -6.736 -1.142 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.970 -5.813 -2.309 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.003 -6.086 -1.055 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.143 -6.716 0.336 1.00 0.00 H new ATOM 738 N ILE A 70 5.024 -2.911 0.016 1.00 0.00 N ATOM 739 CA ILE A 70 5.930 -1.808 -0.277 1.00 0.00 C ATOM 740 C ILE A 70 7.246 -2.319 -0.860 1.00 0.00 C ATOM 741 O ILE A 70 7.710 -3.404 -0.511 1.00 0.00 O ATOM 742 CB ILE A 70 6.223 -0.970 0.984 1.00 0.00 C ATOM 743 CG1 ILE A 70 7.092 0.239 0.635 1.00 0.00 C ATOM 744 CG2 ILE A 70 6.899 -1.826 2.047 1.00 0.00 C ATOM 745 CD1 ILE A 70 7.375 1.142 1.815 1.00 0.00 C ATOM 0 H ILE A 70 4.880 -3.084 1.011 1.00 0.00 H new ATOM 0 HA ILE A 70 5.434 -1.175 -1.013 1.00 0.00 H new ATOM 0 HB ILE A 70 5.276 -0.607 1.385 1.00 0.00 H new ATOM 0 HG12 ILE A 70 8.038 -0.111 0.221 1.00 0.00 H new ATOM 0 HG13 ILE A 70 6.598 0.818 -0.145 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.099 -1.219 2.930 1.00 0.00 H new ATOM 0 HG22 ILE A 70 6.245 -2.655 2.317 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.838 -2.217 1.656 1.00 0.00 H new ATOM 0 HD11 ILE A 70 7.996 1.978 1.493 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.435 1.522 2.216 1.00 0.00 H new ATOM 0 HD13 ILE A 70 7.898 0.578 2.588 1.00 0.00 H new ATOM 757 N THR A 71 7.840 -1.529 -1.748 1.00 0.00 N ATOM 758 CA THR A 71 9.101 -1.903 -2.378 1.00 0.00 C ATOM 759 C THR A 71 9.713 -0.717 -3.119 1.00 0.00 C ATOM 760 O THR A 71 10.360 -0.886 -4.153 1.00 0.00 O ATOM 761 CB THR A 71 8.888 -3.068 -3.345 1.00 0.00 C ATOM 762 OG1 THR A 71 10.113 -3.464 -3.934 1.00 0.00 O ATOM 763 CG2 THR A 71 7.922 -2.745 -4.466 1.00 0.00 C ATOM 0 H THR A 71 7.469 -0.627 -2.047 1.00 0.00 H new ATOM 0 HA THR A 71 9.791 -2.214 -1.593 1.00 0.00 H new ATOM 0 HB THR A 71 8.465 -3.870 -2.741 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.656 -2.671 -4.125 1.00 0.00 H new ATOM 0 HG21 THR A 71 7.815 -3.613 -5.116 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.951 -2.485 -4.046 1.00 0.00 H new ATOM 0 HG23 THR A 71 8.304 -1.904 -5.044 1.00 0.00 H new ATOM 771 N GLY A 72 9.502 0.481 -2.584 1.00 0.00 N ATOM 772 CA GLY A 72 10.040 1.676 -3.208 1.00 0.00 C ATOM 773 C GLY A 72 9.675 2.938 -2.453 1.00 0.00 C ATOM 774 O GLY A 72 8.586 3.039 -1.887 1.00 0.00 O ATOM 0 H GLY A 72 8.969 0.646 -1.730 1.00 0.00 H new ATOM 0 HA2 GLY A 72 11.125 1.593 -3.269 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.668 1.747 -4.230 1.00 0.00 H new ATOM 778 N VAL A 73 10.587 3.906 -2.445 1.00 0.00 N ATOM 779 CA VAL A 73 10.354 5.167 -1.753 1.00 0.00 C ATOM 780 C VAL A 73 11.174 6.294 -2.377 1.00 0.00 C ATOM 781 O VAL A 73 12.399 6.210 -2.462 1.00 0.00 O ATOM 782 CB VAL A 73 10.701 5.059 -0.255 1.00 0.00 C ATOM 783 CG1 VAL A 73 12.167 4.695 -0.068 1.00 0.00 C ATOM 784 CG2 VAL A 73 10.366 6.353 0.473 1.00 0.00 C ATOM 0 H VAL A 73 11.493 3.840 -2.910 1.00 0.00 H new ATOM 0 HA VAL A 73 9.293 5.394 -1.855 1.00 0.00 H new ATOM 0 HB VAL A 73 10.096 4.263 0.178 1.00 0.00 H new ATOM 0 HG11 VAL A 73 12.391 4.624 0.996 1.00 0.00 H new ATOM 0 HG12 VAL A 73 12.368 3.736 -0.546 1.00 0.00 H new ATOM 0 HG13 VAL A 73 12.793 5.464 -0.520 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.619 6.253 1.528 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.938 7.173 0.039 1.00 0.00 H new ATOM 0 HG23 VAL A 73 9.301 6.561 0.374 1.00 0.00 H new ATOM 794 N ASN A 74 10.489 7.348 -2.811 1.00 0.00 N ATOM 795 CA ASN A 74 11.152 8.492 -3.426 1.00 0.00 C ATOM 796 C ASN A 74 11.933 8.066 -4.666 1.00 0.00 C ATOM 797 O ASN A 74 13.015 8.585 -4.938 1.00 0.00 O ATOM 798 CB ASN A 74 12.090 9.164 -2.421 1.00 0.00 C ATOM 799 CG ASN A 74 12.034 10.677 -2.501 1.00 0.00 C ATOM 800 OD1 ASN A 74 11.470 11.240 -3.439 1.00 0.00 O ATOM 801 ND2 ASN A 74 12.621 11.344 -1.513 1.00 0.00 N ATOM 0 H ASN A 74 9.475 7.433 -2.748 1.00 0.00 H new ATOM 0 HA ASN A 74 10.386 9.206 -3.730 1.00 0.00 H new ATOM 0 HB2 ASN A 74 11.826 8.846 -1.412 1.00 0.00 H new ATOM 0 HB3 ASN A 74 13.112 8.831 -2.603 1.00 0.00 H new ATOM 0 HD21 ASN A 74 12.616 12.364 -1.512 1.00 0.00 H new ATOM 0 HD22 ASN A 74 13.077 10.836 -0.755 1.00 0.00 H new ATOM 808 N GLY A 75 11.376 7.118 -5.412 1.00 0.00 N ATOM 809 CA GLY A 75 12.033 6.638 -6.613 1.00 0.00 C ATOM 810 C GLY A 75 13.225 5.746 -6.316 1.00 0.00 C ATOM 811 O GLY A 75 14.002 5.418 -7.213 1.00 0.00 O ATOM 0 H GLY A 75 10.481 6.674 -5.206 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.314 6.086 -7.219 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.362 7.491 -7.207 1.00 0.00 H new ATOM 815 N ARG A 76 13.374 5.350 -5.053 1.00 0.00 N ATOM 816 CA ARG A 76 14.479 4.491 -4.646 1.00 0.00 C ATOM 817 C ARG A 76 13.986 3.083 -4.333 1.00 0.00 C ATOM 818 O ARG A 76 12.896 2.902 -3.788 1.00 0.00 O ATOM 819 CB ARG A 76 15.189 5.084 -3.426 1.00 0.00 C ATOM 820 CG ARG A 76 16.572 5.632 -3.735 1.00 0.00 C ATOM 821 CD ARG A 76 17.666 4.727 -3.189 1.00 0.00 C ATOM 822 NE ARG A 76 17.916 3.582 -4.062 1.00 0.00 N ATOM 823 CZ ARG A 76 18.808 2.630 -3.798 1.00 0.00 C ATOM 824 NH1 ARG A 76 19.538 2.681 -2.690 1.00 0.00 N ATOM 825 NH2 ARG A 76 18.971 1.623 -4.646 1.00 0.00 N ATOM 0 H ARG A 76 12.742 5.611 -4.296 1.00 0.00 H new ATOM 0 HA ARG A 76 15.186 4.430 -5.473 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.575 5.883 -3.011 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.275 4.316 -2.657 1.00 0.00 H new ATOM 0 HG2 ARG A 76 16.690 5.737 -4.813 1.00 0.00 H new ATOM 0 HG3 ARG A 76 16.674 6.628 -3.305 1.00 0.00 H new ATOM 0 HD2 ARG A 76 18.585 5.300 -3.071 1.00 0.00 H new ATOM 0 HD3 ARG A 76 17.382 4.372 -2.198 1.00 0.00 H new ATOM 0 HE ARG A 76 17.375 3.508 -4.924 1.00 0.00 H new ATOM 0 HH11 ARG A 76 19.417 3.453 -2.035 1.00 0.00 H new ATOM 0 HH12 ARG A 76 20.220 1.948 -2.494 1.00 0.00 H new ATOM 0 HH21 ARG A 76 18.413 1.579 -5.499 1.00 0.00 H new ATOM 0 HH22 ARG A 76 19.654 0.893 -4.445 1.00 0.00 H new ATOM 839 N SER A 77 14.796 2.086 -4.678 1.00 0.00 N ATOM 840 CA SER A 77 14.441 0.693 -4.431 1.00 0.00 C ATOM 841 C SER A 77 14.801 0.286 -3.005 1.00 0.00 C ATOM 842 O SER A 77 15.975 0.263 -2.633 1.00 0.00 O ATOM 843 CB SER A 77 15.152 -0.220 -5.431 1.00 0.00 C ATOM 844 OG SER A 77 14.347 -0.450 -6.574 1.00 0.00 O ATOM 0 H SER A 77 15.701 2.217 -5.129 1.00 0.00 H new ATOM 0 HA SER A 77 13.363 0.589 -4.558 1.00 0.00 H new ATOM 0 HB2 SER A 77 16.097 0.232 -5.733 1.00 0.00 H new ATOM 0 HB3 SER A 77 15.391 -1.170 -4.954 1.00 0.00 H new ATOM 0 HG SER A 77 14.825 -1.035 -7.198 1.00 0.00 H new ATOM 850 N ILE A 78 13.785 -0.035 -2.213 1.00 0.00 N ATOM 851 CA ILE A 78 13.996 -0.441 -0.828 1.00 0.00 C ATOM 852 C ILE A 78 14.113 -1.960 -0.699 1.00 0.00 C ATOM 853 O ILE A 78 14.028 -2.504 0.401 1.00 0.00 O ATOM 854 CB ILE A 78 12.852 0.052 0.081 1.00 0.00 C ATOM 855 CG1 ILE A 78 11.529 -0.615 -0.308 1.00 0.00 C ATOM 856 CG2 ILE A 78 12.730 1.566 0.003 1.00 0.00 C ATOM 857 CD1 ILE A 78 11.309 -1.954 0.359 1.00 0.00 C ATOM 0 H ILE A 78 12.808 -0.022 -2.505 1.00 0.00 H new ATOM 0 HA ILE A 78 14.933 0.016 -0.509 1.00 0.00 H new ATOM 0 HB ILE A 78 13.084 -0.224 1.110 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.706 0.051 -0.049 1.00 0.00 H new ATOM 0 HG13 ILE A 78 11.503 -0.748 -1.390 1.00 0.00 H new ATOM 0 HG21 ILE A 78 11.918 1.899 0.650 1.00 0.00 H new ATOM 0 HG22 ILE A 78 13.664 2.024 0.328 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.520 1.862 -1.025 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.353 -2.368 0.038 1.00 0.00 H new ATOM 0 HD12 ILE A 78 12.112 -2.636 0.080 1.00 0.00 H new ATOM 0 HD13 ILE A 78 11.303 -1.825 1.441 1.00 0.00 H new ATOM 869 N LYS A 79 14.306 -2.638 -1.826 1.00 0.00 N ATOM 870 CA LYS A 79 14.431 -4.091 -1.827 1.00 0.00 C ATOM 871 C LYS A 79 15.761 -4.524 -1.221 1.00 0.00 C ATOM 872 O LYS A 79 15.864 -5.598 -0.628 1.00 0.00 O ATOM 873 CB LYS A 79 14.307 -4.635 -3.252 1.00 0.00 C ATOM 874 CG LYS A 79 12.913 -4.485 -3.841 1.00 0.00 C ATOM 875 CD LYS A 79 12.716 -5.394 -5.044 1.00 0.00 C ATOM 876 CE LYS A 79 11.942 -4.695 -6.151 1.00 0.00 C ATOM 877 NZ LYS A 79 12.841 -4.194 -7.226 1.00 0.00 N ATOM 0 H LYS A 79 14.379 -2.206 -2.747 1.00 0.00 H new ATOM 0 HA LYS A 79 13.624 -4.499 -1.218 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.021 -4.118 -3.893 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.582 -5.690 -3.255 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.168 -4.720 -3.080 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.751 -3.448 -4.136 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.687 -5.713 -5.423 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.182 -6.294 -4.738 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.216 -5.386 -6.578 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.380 -3.861 -5.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.275 -3.724 -7.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.518 -3.515 -6.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.359 -4.992 -7.645 1.00 0.00 H new ATOM 891 N GLY A 80 16.779 -3.682 -1.373 1.00 0.00 N ATOM 892 CA GLY A 80 18.089 -3.997 -0.835 1.00 0.00 C ATOM 893 C GLY A 80 18.395 -3.231 0.437 1.00 0.00 C ATOM 894 O GLY A 80 19.477 -2.662 0.582 1.00 0.00 O ATOM 0 H GLY A 80 16.719 -2.787 -1.859 1.00 0.00 H new ATOM 0 HA2 GLY A 80 18.148 -5.067 -0.634 1.00 0.00 H new ATOM 0 HA3 GLY A 80 18.849 -3.771 -1.583 1.00 0.00 H new ATOM 898 N LYS A 81 17.440 -3.216 1.361 1.00 0.00 N ATOM 899 CA LYS A 81 17.613 -2.516 2.629 1.00 0.00 C ATOM 900 C LYS A 81 16.971 -3.294 3.772 1.00 0.00 C ATOM 901 O LYS A 81 16.008 -4.035 3.569 1.00 0.00 O ATOM 902 CB LYS A 81 17.007 -1.112 2.547 1.00 0.00 C ATOM 903 CG LYS A 81 17.527 -0.293 1.379 1.00 0.00 C ATOM 904 CD LYS A 81 17.761 1.157 1.774 1.00 0.00 C ATOM 905 CE LYS A 81 18.105 2.017 0.567 1.00 0.00 C ATOM 906 NZ LYS A 81 19.221 2.961 0.854 1.00 0.00 N ATOM 0 H LYS A 81 16.538 -3.681 1.256 1.00 0.00 H new ATOM 0 HA LYS A 81 18.682 -2.432 2.827 1.00 0.00 H new ATOM 0 HB2 LYS A 81 15.923 -1.197 2.466 1.00 0.00 H new ATOM 0 HB3 LYS A 81 17.217 -0.580 3.475 1.00 0.00 H new ATOM 0 HG2 LYS A 81 18.459 -0.727 1.015 1.00 0.00 H new ATOM 0 HG3 LYS A 81 16.813 -0.336 0.557 1.00 0.00 H new ATOM 0 HD2 LYS A 81 16.868 1.551 2.260 1.00 0.00 H new ATOM 0 HD3 LYS A 81 18.570 1.210 2.502 1.00 0.00 H new ATOM 0 HE2 LYS A 81 18.380 1.374 -0.269 1.00 0.00 H new ATOM 0 HE3 LYS A 81 17.224 2.580 0.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 19.423 3.528 0.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 18.950 3.592 1.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 20.070 2.424 1.122 1.00 0.00 H new ATOM 920 N THR A 82 17.510 -3.121 4.974 1.00 0.00 N ATOM 921 CA THR A 82 16.991 -3.807 6.151 1.00 0.00 C ATOM 922 C THR A 82 15.781 -3.071 6.720 1.00 0.00 C ATOM 923 O THR A 82 15.457 -1.965 6.291 1.00 0.00 O ATOM 924 CB THR A 82 18.080 -3.928 7.219 1.00 0.00 C ATOM 925 OG1 THR A 82 18.997 -2.853 7.123 1.00 0.00 O ATOM 926 CG2 THR A 82 18.870 -5.215 7.124 1.00 0.00 C ATOM 0 H THR A 82 18.307 -2.511 5.159 1.00 0.00 H new ATOM 0 HA THR A 82 16.677 -4.806 5.850 1.00 0.00 H new ATOM 0 HB THR A 82 17.553 -3.914 8.173 1.00 0.00 H new ATOM 0 HG1 THR A 82 19.685 -2.947 7.815 1.00 0.00 H new ATOM 0 HG21 THR A 82 19.625 -5.237 7.910 1.00 0.00 H new ATOM 0 HG22 THR A 82 18.197 -6.064 7.243 1.00 0.00 H new ATOM 0 HG23 THR A 82 19.357 -5.272 6.151 1.00 0.00 H new ATOM 934 N LYS A 83 15.118 -3.693 7.691 1.00 0.00 N ATOM 935 CA LYS A 83 13.945 -3.096 8.320 1.00 0.00 C ATOM 936 C LYS A 83 14.281 -1.734 8.919 1.00 0.00 C ATOM 937 O LYS A 83 13.598 -0.743 8.656 1.00 0.00 O ATOM 938 CB LYS A 83 13.395 -4.028 9.404 1.00 0.00 C ATOM 939 CG LYS A 83 11.972 -4.492 9.141 1.00 0.00 C ATOM 940 CD LYS A 83 11.244 -4.818 10.435 1.00 0.00 C ATOM 941 CE LYS A 83 11.481 -6.257 10.861 1.00 0.00 C ATOM 942 NZ LYS A 83 10.512 -7.191 10.223 1.00 0.00 N ATOM 0 H LYS A 83 15.373 -4.610 8.059 1.00 0.00 H new ATOM 0 HA LYS A 83 13.183 -2.953 7.554 1.00 0.00 H new ATOM 0 HB2 LYS A 83 14.044 -4.900 9.485 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.429 -3.515 10.365 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.429 -3.716 8.602 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.988 -5.373 8.500 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.581 -4.144 11.223 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.175 -4.647 10.305 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.497 -6.551 10.597 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.399 -6.333 11.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.983 -8.096 10.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 9.711 -7.353 10.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.165 -6.777 9.334 1.00 0.00 H new ATOM 956 N VAL A 84 15.340 -1.689 9.721 1.00 0.00 N ATOM 957 CA VAL A 84 15.766 -0.447 10.355 1.00 0.00 C ATOM 958 C VAL A 84 16.201 0.579 9.313 1.00 0.00 C ATOM 959 O VAL A 84 16.066 1.785 9.520 1.00 0.00 O ATOM 960 CB VAL A 84 16.927 -0.686 11.339 1.00 0.00 C ATOM 961 CG1 VAL A 84 16.418 -1.327 12.619 1.00 0.00 C ATOM 962 CG2 VAL A 84 18.006 -1.544 10.695 1.00 0.00 C ATOM 0 H VAL A 84 15.919 -2.498 9.947 1.00 0.00 H new ATOM 0 HA VAL A 84 14.908 -0.062 10.906 1.00 0.00 H new ATOM 0 HB VAL A 84 17.367 0.278 11.594 1.00 0.00 H new ATOM 0 HG11 VAL A 84 17.252 -1.488 13.302 1.00 0.00 H new ATOM 0 HG12 VAL A 84 15.686 -0.670 13.089 1.00 0.00 H new ATOM 0 HG13 VAL A 84 15.950 -2.283 12.386 1.00 0.00 H new ATOM 0 HG21 VAL A 84 18.818 -1.702 11.405 1.00 0.00 H new ATOM 0 HG22 VAL A 84 17.582 -2.507 10.408 1.00 0.00 H new ATOM 0 HG23 VAL A 84 18.392 -1.039 9.809 1.00 0.00 H new ATOM 972 N GLU A 85 16.722 0.090 8.192 1.00 0.00 N ATOM 973 CA GLU A 85 17.177 0.964 7.116 1.00 0.00 C ATOM 974 C GLU A 85 15.996 1.646 6.433 1.00 0.00 C ATOM 975 O GLU A 85 15.975 2.865 6.274 1.00 0.00 O ATOM 976 CB GLU A 85 17.984 0.168 6.091 1.00 0.00 C ATOM 977 CG GLU A 85 19.464 0.075 6.421 1.00 0.00 C ATOM 978 CD GLU A 85 20.303 1.045 5.612 1.00 0.00 C ATOM 979 OE1 GLU A 85 20.007 2.258 5.648 1.00 0.00 O ATOM 980 OE2 GLU A 85 21.256 0.592 4.943 1.00 0.00 O ATOM 0 H GLU A 85 16.840 -0.906 8.005 1.00 0.00 H new ATOM 0 HA GLU A 85 17.815 1.733 7.552 1.00 0.00 H new ATOM 0 HB2 GLU A 85 17.572 -0.839 6.020 1.00 0.00 H new ATOM 0 HB3 GLU A 85 17.867 0.630 5.111 1.00 0.00 H new ATOM 0 HG2 GLU A 85 19.609 0.273 7.483 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.811 -0.942 6.236 1.00 0.00 H new ATOM 987 N VAL A 86 15.009 0.849 6.033 1.00 0.00 N ATOM 988 CA VAL A 86 13.824 1.374 5.368 1.00 0.00 C ATOM 989 C VAL A 86 13.087 2.362 6.264 1.00 0.00 C ATOM 990 O VAL A 86 12.707 3.448 5.828 1.00 0.00 O ATOM 991 CB VAL A 86 12.857 0.245 4.962 1.00 0.00 C ATOM 992 CG1 VAL A 86 11.715 0.794 4.122 1.00 0.00 C ATOM 993 CG2 VAL A 86 13.601 -0.854 4.217 1.00 0.00 C ATOM 0 H VAL A 86 15.008 -0.163 6.159 1.00 0.00 H new ATOM 0 HA VAL A 86 14.167 1.886 4.469 1.00 0.00 H new ATOM 0 HB VAL A 86 12.432 -0.187 5.868 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.043 -0.019 3.845 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.166 1.539 4.697 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.116 1.256 3.220 1.00 0.00 H new ATOM 0 HG21 VAL A 86 12.902 -1.642 3.938 1.00 0.00 H new ATOM 0 HG22 VAL A 86 14.057 -0.440 3.318 1.00 0.00 H new ATOM 0 HG23 VAL A 86 14.377 -1.268 4.860 1.00 0.00 H new ATOM 1003 N ALA A 87 12.886 1.977 7.521 1.00 0.00 N ATOM 1004 CA ALA A 87 12.195 2.829 8.480 1.00 0.00 C ATOM 1005 C ALA A 87 12.916 4.162 8.650 1.00 0.00 C ATOM 1006 O ALA A 87 12.283 5.214 8.745 1.00 0.00 O ATOM 1007 CB ALA A 87 12.072 2.119 9.821 1.00 0.00 C ATOM 0 H ALA A 87 13.192 1.080 7.898 1.00 0.00 H new ATOM 0 HA ALA A 87 11.196 3.033 8.095 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.554 2.766 10.529 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.508 1.195 9.693 1.00 0.00 H new ATOM 0 HB3 ALA A 87 13.066 1.887 10.202 1.00 0.00 H new ATOM 1013 N LYS A 88 14.243 4.111 8.686 1.00 0.00 N ATOM 1014 CA LYS A 88 15.051 5.315 8.844 1.00 0.00 C ATOM 1015 C LYS A 88 14.903 6.230 7.633 1.00 0.00 C ATOM 1016 O LYS A 88 14.871 7.453 7.767 1.00 0.00 O ATOM 1017 CB LYS A 88 16.522 4.944 9.048 1.00 0.00 C ATOM 1018 CG LYS A 88 17.064 5.335 10.416 1.00 0.00 C ATOM 1019 CD LYS A 88 17.692 4.150 11.134 1.00 0.00 C ATOM 1020 CE LYS A 88 16.942 3.811 12.413 1.00 0.00 C ATOM 1021 NZ LYS A 88 16.014 2.662 12.224 1.00 0.00 N ATOM 0 H LYS A 88 14.782 3.249 8.608 1.00 0.00 H new ATOM 0 HA LYS A 88 14.696 5.851 9.725 1.00 0.00 H new ATOM 0 HB2 LYS A 88 16.639 3.869 8.914 1.00 0.00 H new ATOM 0 HB3 LYS A 88 17.121 5.429 8.277 1.00 0.00 H new ATOM 0 HG2 LYS A 88 17.806 6.125 10.301 1.00 0.00 H new ATOM 0 HG3 LYS A 88 16.256 5.742 11.024 1.00 0.00 H new ATOM 0 HD2 LYS A 88 17.696 3.283 10.473 1.00 0.00 H new ATOM 0 HD3 LYS A 88 18.732 4.376 11.370 1.00 0.00 H new ATOM 0 HE2 LYS A 88 17.657 3.575 13.201 1.00 0.00 H new ATOM 0 HE3 LYS A 88 16.378 4.683 12.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 15.048 2.951 12.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 16.036 2.358 11.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 16.310 1.873 12.833 1.00 0.00 H new ATOM 1035 N MET A 89 14.814 5.629 6.452 1.00 0.00 N ATOM 1036 CA MET A 89 14.672 6.389 5.215 1.00 0.00 C ATOM 1037 C MET A 89 13.376 7.195 5.219 1.00 0.00 C ATOM 1038 O MET A 89 13.384 8.402 4.980 1.00 0.00 O ATOM 1039 CB MET A 89 14.699 5.452 4.007 1.00 0.00 C ATOM 1040 CG MET A 89 15.209 6.110 2.736 1.00 0.00 C ATOM 1041 SD MET A 89 16.225 5.004 1.740 1.00 0.00 S ATOM 1042 CE MET A 89 14.977 3.906 1.074 1.00 0.00 C ATOM 0 H MET A 89 14.838 4.617 6.325 1.00 0.00 H new ATOM 0 HA MET A 89 15.511 7.081 5.146 1.00 0.00 H new ATOM 0 HB2 MET A 89 15.328 4.593 4.239 1.00 0.00 H new ATOM 0 HB3 MET A 89 13.693 5.072 3.830 1.00 0.00 H new ATOM 0 HG2 MET A 89 14.361 6.451 2.142 1.00 0.00 H new ATOM 0 HG3 MET A 89 15.790 6.994 2.998 1.00 0.00 H new ATOM 0 HE1 MET A 89 15.296 2.872 1.202 1.00 0.00 H new ATOM 0 HE2 MET A 89 14.036 4.063 1.601 1.00 0.00 H new ATOM 0 HE3 MET A 89 14.838 4.114 0.013 1.00 0.00 H new ATOM 1052 N ILE A 90 12.266 6.519 5.493 1.00 0.00 N ATOM 1053 CA ILE A 90 10.963 7.172 5.528 1.00 0.00 C ATOM 1054 C ILE A 90 10.897 8.212 6.641 1.00 0.00 C ATOM 1055 O ILE A 90 10.183 9.209 6.532 1.00 0.00 O ATOM 1056 CB ILE A 90 9.825 6.151 5.727 1.00 0.00 C ATOM 1057 CG1 ILE A 90 9.975 4.983 4.749 1.00 0.00 C ATOM 1058 CG2 ILE A 90 8.472 6.825 5.552 1.00 0.00 C ATOM 1059 CD1 ILE A 90 10.102 5.415 3.303 1.00 0.00 C ATOM 0 H ILE A 90 12.242 5.519 5.694 1.00 0.00 H new ATOM 0 HA ILE A 90 10.833 7.666 4.565 1.00 0.00 H new ATOM 0 HB ILE A 90 9.886 5.758 6.742 1.00 0.00 H new ATOM 0 HG12 ILE A 90 10.854 4.401 5.024 1.00 0.00 H new ATOM 0 HG13 ILE A 90 9.112 4.324 4.848 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.679 6.091 5.695 1.00 0.00 H new ATOM 0 HG22 ILE A 90 8.365 7.623 6.287 1.00 0.00 H new ATOM 0 HG23 ILE A 90 8.401 7.244 4.548 1.00 0.00 H new ATOM 0 HD11 ILE A 90 10.205 4.535 2.668 1.00 0.00 H new ATOM 0 HD12 ILE A 90 9.212 5.972 3.010 1.00 0.00 H new ATOM 0 HD13 ILE A 90 10.981 6.049 3.189 1.00 0.00 H new ATOM 1071 N GLN A 91 11.647 7.973 7.712 1.00 0.00 N ATOM 1072 CA GLN A 91 11.673 8.890 8.846 1.00 0.00 C ATOM 1073 C GLN A 91 12.535 10.113 8.538 1.00 0.00 C ATOM 1074 O GLN A 91 12.343 11.180 9.121 1.00 0.00 O ATOM 1075 CB GLN A 91 12.205 8.178 10.091 1.00 0.00 C ATOM 1076 CG GLN A 91 11.119 7.521 10.926 1.00 0.00 C ATOM 1077 CD GLN A 91 11.286 7.782 12.411 1.00 0.00 C ATOM 1078 OE1 GLN A 91 11.292 8.930 12.855 1.00 0.00 O ATOM 1079 NE2 GLN A 91 11.425 6.713 13.188 1.00 0.00 N ATOM 0 H GLN A 91 12.244 7.153 7.818 1.00 0.00 H new ATOM 0 HA GLN A 91 10.653 9.225 9.034 1.00 0.00 H new ATOM 0 HB2 GLN A 91 12.926 7.420 9.786 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.742 8.897 10.709 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.145 7.889 10.603 1.00 0.00 H new ATOM 0 HG3 GLN A 91 11.128 6.446 10.747 1.00 0.00 H new ATOM 0 HE21 GLN A 91 11.414 5.779 12.778 1.00 0.00 H new ATOM 0 HE22 GLN A 91 11.543 6.826 14.195 1.00 0.00 H new ATOM 1088 N GLU A 92 13.485 9.950 7.624 1.00 0.00 N ATOM 1089 CA GLU A 92 14.376 11.041 7.245 1.00 0.00 C ATOM 1090 C GLU A 92 13.722 11.948 6.209 1.00 0.00 C ATOM 1091 O GLU A 92 13.610 13.158 6.411 1.00 0.00 O ATOM 1092 CB GLU A 92 15.690 10.485 6.696 1.00 0.00 C ATOM 1093 CG GLU A 92 16.573 9.853 7.759 1.00 0.00 C ATOM 1094 CD GLU A 92 17.365 10.878 8.545 1.00 0.00 C ATOM 1095 OE1 GLU A 92 17.975 11.767 7.915 1.00 0.00 O ATOM 1096 OE2 GLU A 92 17.375 10.794 9.792 1.00 0.00 O ATOM 0 H GLU A 92 13.658 9.074 7.132 1.00 0.00 H new ATOM 0 HA GLU A 92 14.582 11.633 8.137 1.00 0.00 H new ATOM 0 HB2 GLU A 92 15.469 9.742 5.930 1.00 0.00 H new ATOM 0 HB3 GLU A 92 16.241 11.290 6.209 1.00 0.00 H new ATOM 0 HG2 GLU A 92 15.953 9.275 8.444 1.00 0.00 H new ATOM 0 HG3 GLU A 92 17.261 9.153 7.285 1.00 0.00 H new ATOM 1103 N VAL A 93 13.293 11.361 5.097 1.00 0.00 N ATOM 1104 CA VAL A 93 12.653 12.118 4.029 1.00 0.00 C ATOM 1105 C VAL A 93 11.407 12.840 4.535 1.00 0.00 C ATOM 1106 O VAL A 93 10.624 12.283 5.306 1.00 0.00 O ATOM 1107 CB VAL A 93 12.268 11.208 2.845 1.00 0.00 C ATOM 1108 CG1 VAL A 93 11.247 10.165 3.275 1.00 0.00 C ATOM 1109 CG2 VAL A 93 11.741 12.035 1.681 1.00 0.00 C ATOM 0 H VAL A 93 13.377 10.361 4.912 1.00 0.00 H new ATOM 0 HA VAL A 93 13.379 12.855 3.685 1.00 0.00 H new ATOM 0 HB VAL A 93 13.164 10.685 2.512 1.00 0.00 H new ATOM 0 HG11 VAL A 93 10.990 9.535 2.424 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.669 9.549 4.069 1.00 0.00 H new ATOM 0 HG13 VAL A 93 10.349 10.664 3.641 1.00 0.00 H new ATOM 0 HG21 VAL A 93 11.475 11.374 0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 93 10.859 12.591 1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 93 12.511 12.733 1.353 1.00 0.00 H new ATOM 1119 N LYS A 94 11.229 14.082 4.096 1.00 0.00 N ATOM 1120 CA LYS A 94 10.079 14.881 4.504 1.00 0.00 C ATOM 1121 C LYS A 94 9.264 15.315 3.290 1.00 0.00 C ATOM 1122 O LYS A 94 9.537 14.898 2.164 1.00 0.00 O ATOM 1123 CB LYS A 94 10.538 16.108 5.291 1.00 0.00 C ATOM 1124 CG LYS A 94 11.475 15.778 6.443 1.00 0.00 C ATOM 1125 CD LYS A 94 11.069 16.499 7.719 1.00 0.00 C ATOM 1126 CE LYS A 94 12.156 16.415 8.776 1.00 0.00 C ATOM 1127 NZ LYS A 94 12.152 15.100 9.476 1.00 0.00 N ATOM 0 H LYS A 94 11.867 14.557 3.457 1.00 0.00 H new ATOM 0 HA LYS A 94 9.446 14.265 5.144 1.00 0.00 H new ATOM 0 HB2 LYS A 94 11.039 16.798 4.612 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.663 16.626 5.683 1.00 0.00 H new ATOM 0 HG2 LYS A 94 11.474 14.702 6.617 1.00 0.00 H new ATOM 0 HG3 LYS A 94 12.494 16.057 6.175 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.857 17.545 7.496 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.148 16.063 8.107 1.00 0.00 H new ATOM 0 HE2 LYS A 94 13.128 16.575 8.310 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.016 17.214 9.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 13.058 14.967 9.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.374 15.077 10.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.021 14.337 8.781 1.00 0.00 H new ATOM 1141 N GLY A 95 8.262 16.157 3.526 1.00 0.00 N ATOM 1142 CA GLY A 95 7.422 16.634 2.442 1.00 0.00 C ATOM 1143 C GLY A 95 6.715 15.508 1.716 1.00 0.00 C ATOM 1144 O GLY A 95 6.709 14.367 2.182 1.00 0.00 O ATOM 0 H GLY A 95 8.017 16.517 4.448 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.681 17.327 2.839 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.033 17.192 1.732 1.00 0.00 H new ATOM 1148 N GLU A 96 6.115 15.825 0.572 1.00 0.00 N ATOM 1149 CA GLU A 96 5.401 14.830 -0.219 1.00 0.00 C ATOM 1150 C GLU A 96 6.329 13.689 -0.624 1.00 0.00 C ATOM 1151 O GLU A 96 7.190 13.853 -1.487 1.00 0.00 O ATOM 1152 CB GLU A 96 4.792 15.477 -1.465 1.00 0.00 C ATOM 1153 CG GLU A 96 5.761 16.368 -2.225 1.00 0.00 C ATOM 1154 CD GLU A 96 5.250 16.741 -3.602 1.00 0.00 C ATOM 1155 OE1 GLU A 96 4.674 15.865 -4.280 1.00 0.00 O ATOM 1156 OE2 GLU A 96 5.429 17.910 -4.006 1.00 0.00 O ATOM 0 H GLU A 96 6.110 16.764 0.173 1.00 0.00 H new ATOM 0 HA GLU A 96 4.599 14.421 0.396 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.433 14.693 -2.132 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.924 16.067 -1.170 1.00 0.00 H new ATOM 0 HG2 GLU A 96 5.942 17.276 -1.650 1.00 0.00 H new ATOM 0 HG3 GLU A 96 6.719 15.857 -2.323 1.00 0.00 H new ATOM 1163 N VAL A 97 6.148 12.534 0.006 1.00 0.00 N ATOM 1164 CA VAL A 97 6.969 11.366 -0.290 1.00 0.00 C ATOM 1165 C VAL A 97 6.183 10.323 -1.073 1.00 0.00 C ATOM 1166 O VAL A 97 4.997 10.108 -0.823 1.00 0.00 O ATOM 1167 CB VAL A 97 7.514 10.723 1.000 1.00 0.00 C ATOM 1168 CG1 VAL A 97 8.505 11.651 1.682 1.00 0.00 C ATOM 1169 CG2 VAL A 97 6.374 10.365 1.940 1.00 0.00 C ATOM 0 H VAL A 97 5.440 12.381 0.725 1.00 0.00 H new ATOM 0 HA VAL A 97 7.806 11.713 -0.896 1.00 0.00 H new ATOM 0 HB VAL A 97 8.037 9.805 0.733 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.879 11.180 2.591 1.00 0.00 H new ATOM 0 HG12 VAL A 97 9.338 11.852 1.008 1.00 0.00 H new ATOM 0 HG13 VAL A 97 8.010 12.588 1.937 1.00 0.00 H new ATOM 0 HG21 VAL A 97 6.778 9.912 2.846 1.00 0.00 H new ATOM 0 HG22 VAL A 97 5.821 11.267 2.201 1.00 0.00 H new ATOM 0 HG23 VAL A 97 5.705 9.659 1.448 1.00 0.00 H new ATOM 1179 N THR A 98 6.851 9.675 -2.023 1.00 0.00 N ATOM 1180 CA THR A 98 6.214 8.653 -2.843 1.00 0.00 C ATOM 1181 C THR A 98 6.656 7.258 -2.415 1.00 0.00 C ATOM 1182 O THR A 98 7.818 7.041 -2.077 1.00 0.00 O ATOM 1183 CB THR A 98 6.545 8.875 -4.321 1.00 0.00 C ATOM 1184 OG1 THR A 98 6.617 10.258 -4.616 1.00 0.00 O ATOM 1185 CG2 THR A 98 5.531 8.257 -5.260 1.00 0.00 C ATOM 0 H THR A 98 7.833 9.840 -2.243 1.00 0.00 H new ATOM 0 HA THR A 98 5.136 8.731 -2.704 1.00 0.00 H new ATOM 0 HB THR A 98 7.507 8.387 -4.479 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.831 10.379 -5.565 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.825 8.451 -6.292 1.00 0.00 H new ATOM 0 HG22 THR A 98 5.487 7.181 -5.091 1.00 0.00 H new ATOM 0 HG23 THR A 98 4.550 8.693 -5.074 1.00 0.00 H new ATOM 1193 N ILE A 99 5.720 6.314 -2.436 1.00 0.00 N ATOM 1194 CA ILE A 99 6.010 4.939 -2.052 1.00 0.00 C ATOM 1195 C ILE A 99 5.419 3.958 -3.060 1.00 0.00 C ATOM 1196 O ILE A 99 4.252 4.069 -3.438 1.00 0.00 O ATOM 1197 CB ILE A 99 5.460 4.619 -0.647 1.00 0.00 C ATOM 1198 CG1 ILE A 99 6.015 5.612 0.377 1.00 0.00 C ATOM 1199 CG2 ILE A 99 5.805 3.192 -0.247 1.00 0.00 C ATOM 1200 CD1 ILE A 99 5.240 6.910 0.441 1.00 0.00 C ATOM 0 H ILE A 99 4.753 6.478 -2.716 1.00 0.00 H new ATOM 0 HA ILE A 99 7.095 4.832 -2.037 1.00 0.00 H new ATOM 0 HB ILE A 99 4.374 4.713 -0.671 1.00 0.00 H new ATOM 0 HG12 ILE A 99 6.010 5.146 1.362 1.00 0.00 H new ATOM 0 HG13 ILE A 99 7.055 5.830 0.133 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.408 2.987 0.747 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.367 2.497 -0.963 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.888 3.068 -0.238 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.689 7.565 1.187 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.266 7.398 -0.533 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.206 6.703 0.715 1.00 0.00 H new ATOM 1212 N HIS A 100 6.231 2.999 -3.493 1.00 0.00 N ATOM 1213 CA HIS A 100 5.788 2.000 -4.458 1.00 0.00 C ATOM 1214 C HIS A 100 5.218 0.775 -3.751 1.00 0.00 C ATOM 1215 O HIS A 100 5.960 -0.040 -3.204 1.00 0.00 O ATOM 1216 CB HIS A 100 6.950 1.586 -5.364 1.00 0.00 C ATOM 1217 CG HIS A 100 7.614 2.741 -6.049 1.00 0.00 C ATOM 1218 ND1 HIS A 100 8.361 3.754 -5.551 1.00 0.00 N flip ATOM 1219 CD2 HIS A 100 7.546 2.949 -7.410 1.00 0.00 C flip ATOM 1220 CE1 HIS A 100 8.727 4.547 -6.611 1.00 0.00 C flip ATOM 1221 NE2 HIS A 100 8.225 4.040 -7.720 1.00 0.00 N flip ATOM 0 H HIS A 100 7.199 2.893 -3.191 1.00 0.00 H new ATOM 0 HA HIS A 100 5.001 2.444 -5.067 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.691 1.051 -4.770 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.583 0.889 -6.117 1.00 0.00 H new ATOM 0 HD2 HIS A 100 7.020 2.319 -8.113 1.00 0.00 H new ATOM 0 HE1 HIS A 100 9.329 5.441 -6.547 1.00 0.00 H new ATOM 0 HE2 HIS A 100 8.341 4.424 -8.658 1.00 0.00 H new ATOM 1230 N TYR A 101 3.894 0.654 -3.768 1.00 0.00 N ATOM 1231 CA TYR A 101 3.223 -0.471 -3.128 1.00 0.00 C ATOM 1232 C TYR A 101 2.587 -1.389 -4.169 1.00 0.00 C ATOM 1233 O TYR A 101 2.192 -0.942 -5.245 1.00 0.00 O ATOM 1234 CB TYR A 101 2.157 0.032 -2.153 1.00 0.00 C ATOM 1235 CG TYR A 101 1.027 0.783 -2.822 1.00 0.00 C ATOM 1236 CD1 TYR A 101 1.116 2.151 -3.049 1.00 0.00 C ATOM 1237 CD2 TYR A 101 -0.126 0.125 -3.228 1.00 0.00 C ATOM 1238 CE1 TYR A 101 0.086 2.843 -3.658 1.00 0.00 C ATOM 1239 CE2 TYR A 101 -1.161 0.808 -3.840 1.00 0.00 C ATOM 1240 CZ TYR A 101 -1.049 2.166 -4.052 1.00 0.00 C ATOM 1241 OH TYR A 101 -2.077 2.849 -4.660 1.00 0.00 O ATOM 0 H TYR A 101 3.266 1.320 -4.217 1.00 0.00 H new ATOM 0 HA TYR A 101 3.970 -1.042 -2.575 1.00 0.00 H new ATOM 0 HB2 TYR A 101 1.745 -0.818 -1.609 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.629 0.683 -1.417 1.00 0.00 H new ATOM 0 HD1 TYR A 101 2.005 2.683 -2.744 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -0.216 -0.939 -3.063 1.00 0.00 H new ATOM 0 HE1 TYR A 101 0.170 3.907 -3.824 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -2.051 0.281 -4.150 1.00 0.00 H new ATOM 0 HH TYR A 101 -2.802 2.225 -4.875 1.00 0.00 H new ATOM 1251 N ASN A 102 2.495 -2.673 -3.841 1.00 0.00 N ATOM 1252 CA ASN A 102 1.910 -3.654 -4.747 1.00 0.00 C ATOM 1253 C ASN A 102 0.669 -4.293 -4.130 1.00 0.00 C ATOM 1254 O ASN A 102 0.717 -4.820 -3.017 1.00 0.00 O ATOM 1255 CB ASN A 102 2.938 -4.734 -5.093 1.00 0.00 C ATOM 1256 CG ASN A 102 3.382 -4.668 -6.542 1.00 0.00 C ATOM 1257 OD1 ASN A 102 2.560 -4.554 -7.451 1.00 0.00 O ATOM 1258 ND2 ASN A 102 4.690 -4.740 -6.762 1.00 0.00 N ATOM 0 H ASN A 102 2.818 -3.059 -2.954 1.00 0.00 H new ATOM 0 HA ASN A 102 1.613 -3.138 -5.660 1.00 0.00 H new ATOM 0 HB2 ASN A 102 3.807 -4.625 -4.444 1.00 0.00 H new ATOM 0 HB3 ASN A 102 2.511 -5.716 -4.891 1.00 0.00 H new ATOM 0 HD21 ASN A 102 5.050 -4.701 -7.716 1.00 0.00 H new ATOM 0 HD22 ASN A 102 5.335 -4.834 -5.977 1.00 0.00 H new ATOM 1265 N LYS A 103 -0.441 -4.245 -4.859 1.00 0.00 N ATOM 1266 CA LYS A 103 -1.692 -4.821 -4.383 1.00 0.00 C ATOM 1267 C LYS A 103 -1.796 -6.292 -4.775 1.00 0.00 C ATOM 1268 O LYS A 103 -1.627 -6.646 -5.942 1.00 0.00 O ATOM 1269 CB LYS A 103 -2.884 -4.045 -4.949 1.00 0.00 C ATOM 1270 CG LYS A 103 -2.974 -2.616 -4.443 1.00 0.00 C ATOM 1271 CD LYS A 103 -4.296 -1.970 -4.827 1.00 0.00 C ATOM 1272 CE LYS A 103 -4.854 -1.125 -3.694 1.00 0.00 C ATOM 1273 NZ LYS A 103 -5.983 -1.803 -3.000 1.00 0.00 N ATOM 0 H LYS A 103 -0.499 -3.813 -5.781 1.00 0.00 H new ATOM 0 HA LYS A 103 -1.705 -4.750 -3.295 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -2.816 -4.033 -6.037 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -3.804 -4.571 -4.693 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -2.864 -2.606 -3.359 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -2.150 -2.032 -4.852 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -4.155 -1.348 -5.711 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -5.016 -2.744 -5.094 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -4.062 -0.912 -2.976 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -5.193 -0.167 -4.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -6.336 -1.194 -2.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -6.750 -1.984 -3.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -5.654 -2.705 -2.601 1.00 0.00 H new ATOM 1287 N LEU A 104 -2.072 -7.143 -3.794 1.00 0.00 N ATOM 1288 CA LEU A 104 -2.196 -8.577 -4.038 1.00 0.00 C ATOM 1289 C LEU A 104 -3.621 -9.059 -3.778 1.00 0.00 C ATOM 1290 O LEU A 104 -3.854 -10.252 -3.579 1.00 0.00 O ATOM 1291 CB LEU A 104 -1.215 -9.351 -3.154 1.00 0.00 C ATOM 1292 CG LEU A 104 0.212 -8.802 -3.136 1.00 0.00 C ATOM 1293 CD1 LEU A 104 0.364 -7.748 -2.049 1.00 0.00 C ATOM 1294 CD2 LEU A 104 1.213 -9.930 -2.931 1.00 0.00 C ATOM 0 H LEU A 104 -2.214 -6.866 -2.823 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.958 -8.761 -5.086 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.598 -9.359 -2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.185 -10.387 -3.491 1.00 0.00 H new ATOM 0 HG LEU A 104 0.414 -8.333 -4.099 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.386 -7.368 -2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.328 -6.928 -2.238 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.144 -8.192 -1.078 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.224 -9.522 -2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.012 -10.426 -1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.121 -10.650 -3.744 1.00 0.00 H new ATOM 1307 N GLU B 121 7.256 -8.529 14.547 1.00 0.00 N ATOM 1308 CA GLU B 121 8.147 -7.417 14.855 1.00 0.00 C ATOM 1309 C GLU B 121 8.306 -6.495 13.648 1.00 0.00 C ATOM 1310 O GLU B 121 9.286 -6.589 12.909 1.00 0.00 O ATOM 1311 CB GLU B 121 9.516 -7.938 15.297 1.00 0.00 C ATOM 1312 CG GLU B 121 10.382 -6.884 15.966 1.00 0.00 C ATOM 1313 CD GLU B 121 10.936 -7.344 17.302 1.00 0.00 C ATOM 1314 OE1 GLU B 121 11.082 -8.569 17.493 1.00 0.00 O ATOM 1315 OE2 GLU B 121 11.222 -6.478 18.155 1.00 0.00 O ATOM 0 HA GLU B 121 7.703 -6.846 15.670 1.00 0.00 H new ATOM 0 HB2 GLU B 121 9.373 -8.770 15.987 1.00 0.00 H new ATOM 0 HB3 GLU B 121 10.043 -8.331 14.428 1.00 0.00 H new ATOM 0 HG2 GLU B 121 11.208 -6.625 15.304 1.00 0.00 H new ATOM 0 HG3 GLU B 121 9.795 -5.977 16.113 1.00 0.00 H new ATOM 1322 N SER B 122 7.336 -5.609 13.457 1.00 0.00 N ATOM 1323 CA SER B 122 7.367 -4.671 12.340 1.00 0.00 C ATOM 1324 C SER B 122 7.756 -3.275 12.812 1.00 0.00 C ATOM 1325 O SER B 122 7.720 -2.981 14.006 1.00 0.00 O ATOM 1326 CB SER B 122 6.004 -4.627 11.647 1.00 0.00 C ATOM 1327 OG SER B 122 5.587 -5.923 11.253 1.00 0.00 O ATOM 0 H SER B 122 6.518 -5.520 14.060 1.00 0.00 H new ATOM 0 HA SER B 122 8.118 -5.016 11.629 1.00 0.00 H new ATOM 0 HB2 SER B 122 5.265 -4.193 12.320 1.00 0.00 H new ATOM 0 HB3 SER B 122 6.058 -3.978 10.773 1.00 0.00 H new ATOM 0 HG SER B 122 5.163 -5.876 10.371 1.00 0.00 H new ATOM 1333 N VAL B 123 8.129 -2.419 11.866 1.00 0.00 N ATOM 1334 CA VAL B 123 8.525 -1.053 12.187 1.00 0.00 C ATOM 1335 C VAL B 123 7.474 -0.051 11.715 1.00 0.00 C ATOM 1336 O VAL B 123 7.072 -0.060 10.552 1.00 0.00 O ATOM 1337 CB VAL B 123 9.881 -0.696 11.547 1.00 0.00 C ATOM 1338 CG1 VAL B 123 10.353 0.672 12.019 1.00 0.00 C ATOM 1339 CG2 VAL B 123 10.920 -1.762 11.864 1.00 0.00 C ATOM 0 H VAL B 123 8.165 -2.647 10.872 1.00 0.00 H new ATOM 0 HA VAL B 123 8.617 -0.997 13.272 1.00 0.00 H new ATOM 0 HB VAL B 123 9.750 -0.657 10.466 1.00 0.00 H new ATOM 0 HG11 VAL B 123 11.312 0.906 11.556 1.00 0.00 H new ATOM 0 HG12 VAL B 123 9.620 1.427 11.736 1.00 0.00 H new ATOM 0 HG13 VAL B 123 10.466 0.664 13.103 1.00 0.00 H new ATOM 0 HG21 VAL B 123 11.870 -1.492 11.404 1.00 0.00 H new ATOM 0 HG22 VAL B 123 11.048 -1.836 12.944 1.00 0.00 H new ATOM 0 HG23 VAL B 123 10.587 -2.723 11.472 1.00 0.00 H new ATOM 1349 N LYS B 124 7.034 0.809 12.627 1.00 0.00 N ATOM 1350 CA LYS B 124 6.031 1.817 12.305 1.00 0.00 C ATOM 1351 C LYS B 124 6.689 3.155 11.982 1.00 0.00 C ATOM 1352 O LYS B 124 7.371 3.741 12.822 1.00 0.00 O ATOM 1353 CB LYS B 124 5.053 1.983 13.471 1.00 0.00 C ATOM 1354 CG LYS B 124 3.616 2.206 13.030 1.00 0.00 C ATOM 1355 CD LYS B 124 3.464 3.512 12.267 1.00 0.00 C ATOM 1356 CE LYS B 124 3.515 4.711 13.200 1.00 0.00 C ATOM 1357 NZ LYS B 124 2.152 5.195 13.560 1.00 0.00 N ATOM 0 H LYS B 124 7.356 0.828 13.595 1.00 0.00 H new ATOM 0 HA LYS B 124 5.483 1.481 11.425 1.00 0.00 H new ATOM 0 HB2 LYS B 124 5.098 1.095 14.101 1.00 0.00 H new ATOM 0 HB3 LYS B 124 5.371 2.826 14.085 1.00 0.00 H new ATOM 0 HG2 LYS B 124 3.294 1.376 12.401 1.00 0.00 H new ATOM 0 HG3 LYS B 124 2.964 2.215 13.903 1.00 0.00 H new ATOM 0 HD2 LYS B 124 4.256 3.594 11.523 1.00 0.00 H new ATOM 0 HD3 LYS B 124 2.518 3.511 11.726 1.00 0.00 H new ATOM 0 HE2 LYS B 124 4.056 4.442 14.107 1.00 0.00 H new ATOM 0 HE3 LYS B 124 4.072 5.518 12.724 1.00 0.00 H new ATOM 0 HZ1 LYS B 124 2.180 5.648 14.496 1.00 0.00 H new ATOM 0 HZ2 LYS B 124 1.830 5.884 12.851 1.00 0.00 H new ATOM 0 HZ3 LYS B 124 1.493 4.391 13.585 1.00 0.00 H new ATOM 1371 N ILE B 125 6.480 3.632 10.760 1.00 0.00 N ATOM 1372 CA ILE B 125 7.052 4.901 10.325 1.00 0.00 C ATOM 1373 C ILE B 125 6.048 5.708 9.511 1.00 0.00 C ATOM 1374 O ILE B 125 4.877 5.280 9.425 1.00 0.00 O ATOM 1375 CB ILE B 125 8.324 4.685 9.484 1.00 0.00 C ATOM 1376 CG1 ILE B 125 8.070 3.644 8.393 1.00 0.00 C ATOM 1377 CG2 ILE B 125 9.481 4.256 10.373 1.00 0.00 C ATOM 1378 CD1 ILE B 125 7.284 4.180 7.216 1.00 0.00 C ATOM 1379 OXT ILE B 125 6.439 6.760 8.965 1.00 0.00 O ATOM 0 H ILE B 125 5.918 3.159 10.052 1.00 0.00 H new ATOM 0 HA ILE B 125 7.312 5.455 11.227 1.00 0.00 H new ATOM 0 HB ILE B 125 8.589 5.628 9.006 1.00 0.00 H new ATOM 0 HG12 ILE B 125 9.027 3.262 8.037 1.00 0.00 H new ATOM 0 HG13 ILE B 125 7.531 2.801 8.825 1.00 0.00 H new ATOM 0 HG21 ILE B 125 10.372 4.107 9.764 1.00 0.00 H new ATOM 0 HG22 ILE B 125 9.675 5.029 11.117 1.00 0.00 H new ATOM 0 HG23 ILE B 125 9.226 3.324 10.877 1.00 0.00 H new ATOM 0 HD11 ILE B 125 7.142 3.387 6.482 1.00 0.00 H new ATOM 0 HD12 ILE B 125 6.312 4.536 7.559 1.00 0.00 H new ATOM 0 HD13 ILE B 125 7.831 5.004 6.758 1.00 0.00 H new