USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 844 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: C 13 ASN : amide:sc= -0.528 K(o=-0.53,f=-1.4!) USER MOD Set 1.2: C 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: C 11 SER OG : rot 180:sc= 0 USER MOD Set 2.2: C 21 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 13 ASN : amide:sc= -0.145 K(o=-0.14,f=-1.4!) USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -161:sc= -0.0546 (180deg=-0.352) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.595 K(o=-0.6,f=-1.5) USER MOD Single : A 29 GLN : amide:sc= -0.466 X(o=-0.47,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.0904 K(o=-0.09,f=-2.3!) USER MOD Single : A 38 LYS NZ :NH3+ -169:sc= -0.0147 (180deg=-0.163) USER MOD Single : A 43 HIS : no HE2:sc= -1.04 X(o=-1,f=-1.3) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0.927 K(o=0.93,f=0) USER MOD Single : C 1 MET CE :methyl 174:sc=-0.00116 (180deg=-0.0193) USER MOD Single : C 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 180:sc= 0 USER MOD Single : C 7 LYS NZ :NH3+ -159:sc= -0.096 (180deg=-0.488) USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 28 GLN : amide:sc= 0.161 K(o=0.16,f=-1.6) USER MOD Single : C 29 GLN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : C 35 ASN : amide:sc= -0.0643 K(o=-0.064,f=-1.9) USER MOD Single : C 38 LYS NZ :NH3+ 139:sc= -0.606 (180deg=-2.63!) USER MOD Single : C 43 HIS : no HE2:sc= -1.93 K(o=-1.9,f=-3.4) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 49 GLN : amide:sc= 0.771 K(o=0.77,f=-0.8) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.111 3.000 -2.015 1.00 0.00 N ATOM 2 CA MET A 1 -12.213 2.532 -0.945 1.00 0.00 C ATOM 3 C MET A 1 -12.202 1.011 -0.889 1.00 0.00 C ATOM 4 O MET A 1 -13.233 0.405 -0.641 1.00 0.00 O ATOM 5 CB MET A 1 -12.650 3.078 0.418 1.00 0.00 C ATOM 6 CG MET A 1 -11.823 2.458 1.546 1.00 0.00 C ATOM 7 SD MET A 1 -10.065 2.871 1.492 1.00 0.00 S ATOM 8 CE MET A 1 -10.172 4.449 2.370 1.00 0.00 C ATOM 0 H1 MET A 1 -13.108 4.040 -2.041 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.783 2.630 -2.930 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.077 2.661 -1.831 1.00 0.00 H new ATOM 0 HA MET A 1 -11.212 2.899 -1.171 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.537 4.162 0.433 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.707 2.865 0.577 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.232 2.785 2.502 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.931 1.374 1.507 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.178 4.888 2.452 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.824 5.128 1.820 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.578 4.283 3.368 1.00 0.00 H new ATOM 20 N LEU A 2 -11.038 0.400 -1.113 1.00 0.00 N ATOM 21 CA LEU A 2 -10.877 -1.043 -1.033 1.00 0.00 C ATOM 22 C LEU A 2 -9.744 -1.328 -0.053 1.00 0.00 C ATOM 23 O LEU A 2 -8.584 -1.033 -0.340 1.00 0.00 O ATOM 24 CB LEU A 2 -10.617 -1.584 -2.443 1.00 0.00 C ATOM 25 CG LEU A 2 -10.676 -3.110 -2.582 1.00 0.00 C ATOM 26 CD1 LEU A 2 -9.266 -3.678 -2.554 1.00 0.00 C ATOM 27 CD2 LEU A 2 -11.462 -3.820 -1.481 1.00 0.00 C ATOM 0 H LEU A 2 -10.181 0.898 -1.355 1.00 0.00 H new ATOM 0 HA LEU A 2 -11.770 -1.547 -0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.348 -1.145 -3.123 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -9.634 -1.244 -2.769 1.00 0.00 H new ATOM 0 HG LEU A 2 -11.190 -3.289 -3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -9.309 -4.763 -2.653 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.689 -3.261 -3.379 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.788 -3.418 -1.610 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -11.450 -4.895 -1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -11.005 -3.609 -0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -12.492 -3.463 -1.481 1.00 0.00 H new ATOM 39 N ILE A 3 -10.087 -1.901 1.104 1.00 0.00 N ATOM 40 CA ILE A 3 -9.125 -2.236 2.138 1.00 0.00 C ATOM 41 C ILE A 3 -8.607 -3.650 1.914 1.00 0.00 C ATOM 42 O ILE A 3 -9.330 -4.519 1.431 1.00 0.00 O ATOM 43 CB ILE A 3 -9.756 -2.158 3.543 1.00 0.00 C ATOM 44 CG1 ILE A 3 -10.168 -0.733 3.921 1.00 0.00 C ATOM 45 CG2 ILE A 3 -8.711 -2.605 4.572 1.00 0.00 C ATOM 46 CD1 ILE A 3 -11.579 -0.394 3.458 1.00 0.00 C ATOM 0 H ILE A 3 -11.048 -2.144 1.344 1.00 0.00 H new ATOM 0 HA ILE A 3 -8.310 -1.515 2.081 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.642 -2.793 3.535 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.105 -0.615 5.003 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.465 -0.026 3.482 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.141 -2.556 5.572 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.405 -3.629 4.359 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -7.843 -1.948 4.518 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -11.822 0.627 3.751 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -11.638 -0.484 2.373 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -12.288 -1.082 3.918 1.00 0.00 H new ATOM 58 N LEU A 4 -7.342 -3.858 2.277 1.00 0.00 N ATOM 59 CA LEU A 4 -6.698 -5.158 2.283 1.00 0.00 C ATOM 60 C LEU A 4 -5.809 -5.234 3.521 1.00 0.00 C ATOM 61 O LEU A 4 -5.420 -4.204 4.076 1.00 0.00 O ATOM 62 CB LEU A 4 -5.860 -5.328 1.009 1.00 0.00 C ATOM 63 CG LEU A 4 -6.707 -5.334 -0.273 1.00 0.00 C ATOM 64 CD1 LEU A 4 -5.798 -5.346 -1.498 1.00 0.00 C ATOM 65 CD2 LEU A 4 -7.617 -6.560 -0.341 1.00 0.00 C ATOM 0 H LEU A 4 -6.727 -3.104 2.582 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.441 -5.956 2.308 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.130 -4.521 0.951 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.300 -6.261 1.072 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.323 -4.435 -0.258 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.406 -5.350 -2.402 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.165 -4.458 -1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.172 -6.238 -1.478 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.200 -6.529 -1.261 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.010 -7.465 -0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.291 -6.561 0.516 1.00 0.00 H new ATOM 77 N THR A 5 -5.484 -6.453 3.955 1.00 0.00 N ATOM 78 CA THR A 5 -4.579 -6.669 5.079 1.00 0.00 C ATOM 79 C THR A 5 -3.410 -7.519 4.621 1.00 0.00 C ATOM 80 O THR A 5 -3.588 -8.480 3.873 1.00 0.00 O ATOM 81 CB THR A 5 -5.277 -7.372 6.242 1.00 0.00 C ATOM 82 OG1 THR A 5 -5.964 -8.519 5.797 1.00 0.00 O ATOM 83 CG2 THR A 5 -6.270 -6.446 6.925 1.00 0.00 C ATOM 0 H THR A 5 -5.840 -7.313 3.538 1.00 0.00 H new ATOM 0 HA THR A 5 -4.237 -5.694 5.427 1.00 0.00 H new ATOM 0 HB THR A 5 -4.503 -7.661 6.953 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.402 -8.954 6.558 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.752 -6.973 7.749 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.746 -5.571 7.311 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.025 -6.129 6.206 1.00 0.00 H new ATOM 91 N ARG A 6 -2.206 -7.165 5.069 1.00 0.00 N ATOM 92 CA ARG A 6 -1.016 -7.927 4.713 1.00 0.00 C ATOM 93 C ARG A 6 0.077 -7.781 5.768 1.00 0.00 C ATOM 94 O ARG A 6 0.237 -6.713 6.356 1.00 0.00 O ATOM 95 CB ARG A 6 -0.557 -7.525 3.304 1.00 0.00 C ATOM 96 CG ARG A 6 -0.613 -6.017 3.019 1.00 0.00 C ATOM 97 CD ARG A 6 0.759 -5.373 3.161 1.00 0.00 C ATOM 98 NE ARG A 6 1.633 -5.719 2.038 1.00 0.00 N ATOM 99 CZ ARG A 6 1.924 -4.885 1.036 1.00 0.00 C ATOM 100 NH1 ARG A 6 1.376 -3.676 0.964 1.00 0.00 N ATOM 101 NH2 ARG A 6 2.775 -5.260 0.088 1.00 0.00 N ATOM 0 H ARG A 6 -2.032 -6.362 5.674 1.00 0.00 H new ATOM 0 HA ARG A 6 -1.256 -8.990 4.691 1.00 0.00 H new ATOM 0 HB2 ARG A 6 0.466 -7.871 3.157 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -1.177 -8.043 2.573 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.992 -5.850 2.011 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.313 -5.541 3.706 1.00 0.00 H new ATOM 0 HD2 ARG A 6 0.650 -4.290 3.218 1.00 0.00 H new ATOM 0 HD3 ARG A 6 1.219 -5.697 4.095 1.00 0.00 H new ATOM 0 HE ARG A 6 2.044 -6.652 2.020 1.00 0.00 H new ATOM 0 HH11 ARG A 6 0.720 -3.370 1.682 1.00 0.00 H new ATOM 0 HH12 ARG A 6 1.612 -3.054 0.190 1.00 0.00 H new ATOM 0 HH21 ARG A 6 3.206 -6.184 0.126 1.00 0.00 H new ATOM 0 HH22 ARG A 6 2.998 -4.624 -0.678 1.00 0.00 H new ATOM 115 N LYS A 7 0.822 -8.865 5.996 1.00 0.00 N ATOM 116 CA LYS A 7 1.876 -8.941 7.003 1.00 0.00 C ATOM 117 C LYS A 7 3.155 -8.341 6.428 1.00 0.00 C ATOM 118 O LYS A 7 3.285 -8.246 5.208 1.00 0.00 O ATOM 119 CB LYS A 7 2.104 -10.416 7.370 1.00 0.00 C ATOM 120 CG LYS A 7 2.073 -10.698 8.877 1.00 0.00 C ATOM 121 CD LYS A 7 0.684 -10.461 9.478 1.00 0.00 C ATOM 122 CE LYS A 7 0.626 -10.947 10.926 1.00 0.00 C ATOM 123 NZ LYS A 7 0.778 -12.412 11.020 1.00 0.00 N ATOM 0 H LYS A 7 0.704 -9.732 5.472 1.00 0.00 H new ATOM 0 HA LYS A 7 1.590 -8.386 7.897 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.341 -11.023 6.882 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.067 -10.734 6.971 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.375 -11.729 9.059 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.799 -10.060 9.380 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.442 -9.399 9.437 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.067 -10.983 8.885 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.413 -10.462 11.504 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.324 -10.651 11.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.421 -12.740 11.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.237 -12.867 10.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.783 -12.663 10.929 1.00 0.00 H new ATOM 137 N VAL A 8 4.110 -7.936 7.271 1.00 0.00 N ATOM 138 CA VAL A 8 5.371 -7.426 6.734 1.00 0.00 C ATOM 139 C VAL A 8 6.039 -8.507 5.879 1.00 0.00 C ATOM 140 O VAL A 8 5.932 -9.696 6.178 1.00 0.00 O ATOM 141 CB VAL A 8 6.303 -6.919 7.838 1.00 0.00 C ATOM 142 CG1 VAL A 8 5.607 -5.822 8.644 1.00 0.00 C ATOM 143 CG2 VAL A 8 6.755 -8.025 8.788 1.00 0.00 C ATOM 0 H VAL A 8 4.039 -7.950 8.288 1.00 0.00 H new ATOM 0 HA VAL A 8 5.154 -6.564 6.103 1.00 0.00 H new ATOM 0 HB VAL A 8 7.191 -6.528 7.342 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.276 -5.466 9.428 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.348 -4.994 7.984 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.700 -6.223 9.096 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.413 -7.605 9.549 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.884 -8.471 9.268 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.291 -8.790 8.227 1.00 0.00 H new ATOM 153 N GLY A 9 6.728 -8.091 4.814 1.00 0.00 N ATOM 154 CA GLY A 9 7.389 -9.001 3.891 1.00 0.00 C ATOM 155 C GLY A 9 6.468 -9.481 2.765 1.00 0.00 C ATOM 156 O GLY A 9 6.915 -10.227 1.895 1.00 0.00 O ATOM 0 H GLY A 9 6.840 -7.107 4.571 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.256 -8.504 3.457 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.760 -9.865 4.443 1.00 0.00 H new ATOM 160 N GLU A 10 5.190 -9.075 2.763 1.00 0.00 N ATOM 161 CA GLU A 10 4.240 -9.505 1.741 1.00 0.00 C ATOM 162 C GLU A 10 4.092 -8.470 0.617 1.00 0.00 C ATOM 163 O GLU A 10 4.832 -7.488 0.557 1.00 0.00 O ATOM 164 CB GLU A 10 2.891 -9.834 2.382 1.00 0.00 C ATOM 165 CG GLU A 10 3.052 -11.004 3.357 1.00 0.00 C ATOM 166 CD GLU A 10 1.704 -11.525 3.855 1.00 0.00 C ATOM 167 OE1 GLU A 10 0.747 -10.721 3.920 1.00 0.00 O ATOM 168 OE2 GLU A 10 1.639 -12.734 4.169 1.00 0.00 O ATOM 0 H GLU A 10 4.795 -8.447 3.463 1.00 0.00 H new ATOM 0 HA GLU A 10 4.633 -10.409 1.277 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.505 -8.961 2.908 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.164 -10.089 1.611 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.594 -11.812 2.867 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.655 -10.686 4.208 1.00 0.00 H new ATOM 175 N SER A 11 3.124 -8.697 -0.276 1.00 0.00 N ATOM 176 CA SER A 11 2.983 -7.945 -1.520 1.00 0.00 C ATOM 177 C SER A 11 1.512 -7.697 -1.854 1.00 0.00 C ATOM 178 O SER A 11 0.629 -8.411 -1.381 1.00 0.00 O ATOM 179 CB SER A 11 3.640 -8.721 -2.662 1.00 0.00 C ATOM 180 OG SER A 11 5.024 -8.873 -2.416 1.00 0.00 O ATOM 0 H SER A 11 2.411 -9.416 -0.152 1.00 0.00 H new ATOM 0 HA SER A 11 3.472 -6.979 -1.393 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.171 -9.700 -2.763 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.486 -8.195 -3.604 1.00 0.00 H new ATOM 0 HG SER A 11 5.434 -9.373 -3.153 1.00 0.00 H new ATOM 186 N ILE A 12 1.268 -6.674 -2.679 1.00 0.00 N ATOM 187 CA ILE A 12 -0.056 -6.226 -3.112 1.00 0.00 C ATOM 188 C ILE A 12 0.089 -5.702 -4.546 1.00 0.00 C ATOM 189 O ILE A 12 1.210 -5.467 -4.992 1.00 0.00 O ATOM 190 CB ILE A 12 -0.554 -5.144 -2.134 1.00 0.00 C ATOM 191 CG1 ILE A 12 -0.858 -5.707 -0.738 1.00 0.00 C ATOM 192 CG2 ILE A 12 -1.806 -4.407 -2.629 1.00 0.00 C ATOM 193 CD1 ILE A 12 -1.993 -6.732 -0.714 1.00 0.00 C ATOM 0 H ILE A 12 2.020 -6.113 -3.079 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.793 -7.029 -3.107 1.00 0.00 H new ATOM 0 HB ILE A 12 0.274 -4.438 -2.076 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.045 -6.170 -0.340 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.113 -4.882 -0.072 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.103 -3.660 -1.893 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.588 -3.916 -3.577 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.617 -5.121 -2.768 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.146 -7.082 0.307 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.909 -6.269 -1.080 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.734 -7.577 -1.352 1.00 0.00 H new ATOM 205 N ASN A 13 -1.013 -5.511 -5.281 1.00 0.00 N ATOM 206 CA ASN A 13 -0.948 -5.108 -6.683 1.00 0.00 C ATOM 207 C ASN A 13 -2.012 -4.076 -7.044 1.00 0.00 C ATOM 208 O ASN A 13 -3.071 -4.008 -6.427 1.00 0.00 O ATOM 209 CB ASN A 13 -1.113 -6.344 -7.569 1.00 0.00 C ATOM 210 CG ASN A 13 0.194 -7.108 -7.684 1.00 0.00 C ATOM 211 OD1 ASN A 13 0.397 -8.109 -7.009 1.00 0.00 O ATOM 212 ND2 ASN A 13 1.088 -6.631 -8.543 1.00 0.00 N ATOM 0 H ASN A 13 -1.961 -5.630 -4.923 1.00 0.00 H new ATOM 0 HA ASN A 13 0.024 -4.642 -6.848 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.883 -6.994 -7.153 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.451 -6.043 -8.561 1.00 0.00 H new ATOM 0 HD21 ASN A 13 1.985 -7.102 -8.660 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.877 -5.793 -9.086 1.00 0.00 H new ATOM 219 N ILE A 14 -1.698 -3.271 -8.070 1.00 0.00 N ATOM 220 CA ILE A 14 -2.562 -2.207 -8.567 1.00 0.00 C ATOM 221 C ILE A 14 -2.405 -2.120 -10.087 1.00 0.00 C ATOM 222 O ILE A 14 -1.321 -2.363 -10.623 1.00 0.00 O ATOM 223 CB ILE A 14 -2.164 -0.871 -7.913 1.00 0.00 C ATOM 224 CG1 ILE A 14 -2.243 -0.984 -6.384 1.00 0.00 C ATOM 225 CG2 ILE A 14 -3.080 0.251 -8.407 1.00 0.00 C ATOM 226 CD1 ILE A 14 -1.847 0.311 -5.678 1.00 0.00 C ATOM 0 H ILE A 14 -0.819 -3.348 -8.582 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.602 -2.419 -8.319 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.137 -0.636 -8.194 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.259 -1.255 -6.095 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.591 -1.790 -6.049 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.789 1.191 -7.938 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.991 0.343 -9.489 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.113 0.019 -8.146 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.921 0.175 -4.599 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.822 0.570 -5.942 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.515 1.114 -5.989 1.00 0.00 H new ATOM 238 N GLY A 15 -3.491 -1.775 -10.781 1.00 0.00 N ATOM 239 CA GLY A 15 -3.497 -1.672 -12.230 1.00 0.00 C ATOM 240 C GLY A 15 -3.044 -2.979 -12.866 1.00 0.00 C ATOM 241 O GLY A 15 -3.367 -4.064 -12.381 1.00 0.00 O ATOM 0 H GLY A 15 -4.389 -1.560 -10.348 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.499 -1.421 -12.577 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.839 -0.862 -12.544 1.00 0.00 H new ATOM 245 N ASP A 16 -2.289 -2.863 -13.958 1.00 0.00 N ATOM 246 CA ASP A 16 -1.715 -3.998 -14.664 1.00 0.00 C ATOM 247 C ASP A 16 -0.213 -3.773 -14.859 1.00 0.00 C ATOM 248 O ASP A 16 0.441 -4.507 -15.596 1.00 0.00 O ATOM 249 CB ASP A 16 -2.436 -4.192 -15.999 1.00 0.00 C ATOM 250 CG ASP A 16 -3.922 -4.473 -15.797 1.00 0.00 C ATOM 251 OD1 ASP A 16 -4.260 -5.656 -15.566 1.00 0.00 O ATOM 252 OD2 ASP A 16 -4.711 -3.506 -15.878 1.00 0.00 O ATOM 0 H ASP A 16 -2.058 -1.963 -14.380 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.846 -4.908 -14.079 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.314 -3.300 -16.613 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.979 -5.018 -16.544 1.00 0.00 H new ATOM 257 N ASP A 17 0.330 -2.749 -14.191 1.00 0.00 N ATOM 258 CA ASP A 17 1.719 -2.348 -14.326 1.00 0.00 C ATOM 259 C ASP A 17 2.311 -1.892 -12.990 1.00 0.00 C ATOM 260 O ASP A 17 3.413 -1.341 -12.978 1.00 0.00 O ATOM 261 CB ASP A 17 1.824 -1.224 -15.361 1.00 0.00 C ATOM 262 CG ASP A 17 1.382 -1.673 -16.749 1.00 0.00 C ATOM 263 OD1 ASP A 17 2.206 -2.318 -17.438 1.00 0.00 O ATOM 264 OD2 ASP A 17 0.223 -1.373 -17.114 1.00 0.00 O ATOM 0 H ASP A 17 -0.197 -2.173 -13.535 1.00 0.00 H new ATOM 0 HA ASP A 17 2.293 -3.213 -14.658 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.211 -0.381 -15.042 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.854 -0.870 -15.407 1.00 0.00 H new ATOM 269 N ILE A 18 1.613 -2.098 -11.863 1.00 0.00 N ATOM 270 CA ILE A 18 2.127 -1.671 -10.571 1.00 0.00 C ATOM 271 C ILE A 18 2.059 -2.809 -9.555 1.00 0.00 C ATOM 272 O ILE A 18 1.140 -3.629 -9.563 1.00 0.00 O ATOM 273 CB ILE A 18 1.367 -0.433 -10.062 1.00 0.00 C ATOM 274 CG1 ILE A 18 1.432 0.744 -11.046 1.00 0.00 C ATOM 275 CG2 ILE A 18 1.968 0.040 -8.732 1.00 0.00 C ATOM 276 CD1 ILE A 18 0.260 0.723 -12.029 1.00 0.00 C ATOM 0 H ILE A 18 0.701 -2.554 -11.829 1.00 0.00 H new ATOM 0 HA ILE A 18 3.174 -1.396 -10.698 1.00 0.00 H new ATOM 0 HB ILE A 18 0.327 -0.736 -9.945 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.426 1.683 -10.492 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.371 0.706 -11.598 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.425 0.916 -8.378 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.890 -0.758 -7.993 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.017 0.298 -8.878 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.340 1.571 -12.709 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.282 -0.204 -12.601 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.678 0.788 -11.478 1.00 0.00 H new ATOM 288 N THR A 19 3.053 -2.842 -8.668 1.00 0.00 N ATOM 289 CA THR A 19 3.135 -3.798 -7.573 1.00 0.00 C ATOM 290 C THR A 19 3.585 -3.039 -6.330 1.00 0.00 C ATOM 291 O THR A 19 4.240 -2.003 -6.438 1.00 0.00 O ATOM 292 CB THR A 19 4.127 -4.911 -7.930 1.00 0.00 C ATOM 293 OG1 THR A 19 3.760 -5.519 -9.147 1.00 0.00 O ATOM 294 CG2 THR A 19 4.172 -5.993 -6.851 1.00 0.00 C ATOM 0 H THR A 19 3.837 -2.191 -8.694 1.00 0.00 H new ATOM 0 HA THR A 19 2.168 -4.266 -7.388 1.00 0.00 H new ATOM 0 HB THR A 19 5.110 -4.448 -8.014 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.401 -6.227 -9.365 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.886 -6.765 -7.139 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.479 -5.550 -5.904 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.183 -6.437 -6.740 1.00 0.00 H new ATOM 302 N ILE A 20 3.232 -3.551 -5.149 1.00 0.00 N ATOM 303 CA ILE A 20 3.504 -2.888 -3.883 1.00 0.00 C ATOM 304 C ILE A 20 4.100 -3.913 -2.922 1.00 0.00 C ATOM 305 O ILE A 20 3.764 -5.092 -2.988 1.00 0.00 O ATOM 306 CB ILE A 20 2.189 -2.331 -3.312 1.00 0.00 C ATOM 307 CG1 ILE A 20 1.418 -1.460 -4.318 1.00 0.00 C ATOM 308 CG2 ILE A 20 2.452 -1.535 -2.031 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.134 -0.149 -4.647 1.00 0.00 C ATOM 0 H ILE A 20 2.747 -4.443 -5.049 1.00 0.00 H new ATOM 0 HA ILE A 20 4.205 -2.065 -4.024 1.00 0.00 H new ATOM 0 HB ILE A 20 1.563 -3.194 -3.087 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.266 -2.025 -5.238 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.430 -1.237 -3.914 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.510 -1.149 -1.642 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.912 -2.185 -1.287 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.122 -0.703 -2.250 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.540 0.421 -5.362 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.262 0.434 -3.735 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.111 -0.366 -5.079 1.00 0.00 H new ATOM 321 N THR A 21 4.980 -3.464 -2.024 1.00 0.00 N ATOM 322 CA THR A 21 5.657 -4.330 -1.067 1.00 0.00 C ATOM 323 C THR A 21 5.645 -3.667 0.308 1.00 0.00 C ATOM 324 O THR A 21 5.562 -2.445 0.405 1.00 0.00 O ATOM 325 CB THR A 21 7.094 -4.589 -1.531 1.00 0.00 C ATOM 326 OG1 THR A 21 7.099 -5.042 -2.869 1.00 0.00 O ATOM 327 CG2 THR A 21 7.775 -5.652 -0.672 1.00 0.00 C ATOM 0 H THR A 21 5.242 -2.482 -1.943 1.00 0.00 H new ATOM 0 HA THR A 21 5.139 -5.287 -1.002 1.00 0.00 H new ATOM 0 HB THR A 21 7.636 -3.648 -1.440 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.022 -5.203 -3.156 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.793 -5.811 -1.029 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.802 -5.319 0.366 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.217 -6.586 -0.739 1.00 0.00 H new ATOM 335 N ILE A 22 5.732 -4.464 1.373 1.00 0.00 N ATOM 336 CA ILE A 22 5.773 -3.945 2.736 1.00 0.00 C ATOM 337 C ILE A 22 7.099 -4.350 3.375 1.00 0.00 C ATOM 338 O ILE A 22 7.243 -5.455 3.895 1.00 0.00 O ATOM 339 CB ILE A 22 4.533 -4.395 3.519 1.00 0.00 C ATOM 340 CG1 ILE A 22 4.618 -4.057 5.008 1.00 0.00 C ATOM 341 CG2 ILE A 22 4.299 -5.900 3.415 1.00 0.00 C ATOM 342 CD1 ILE A 22 4.751 -2.557 5.240 1.00 0.00 C ATOM 0 H ILE A 22 5.776 -5.481 1.314 1.00 0.00 H new ATOM 0 HA ILE A 22 5.735 -2.856 2.742 1.00 0.00 H new ATOM 0 HB ILE A 22 3.709 -3.848 3.061 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.727 -4.426 5.516 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.472 -4.570 5.449 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.410 -6.170 3.985 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.157 -6.175 2.370 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.163 -6.431 3.815 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.808 -2.358 6.310 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.656 -2.193 4.754 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.884 -2.046 4.822 1.00 0.00 H new ATOM 354 N LEU A 23 8.080 -3.448 3.337 1.00 0.00 N ATOM 355 CA LEU A 23 9.403 -3.746 3.864 1.00 0.00 C ATOM 356 C LEU A 23 9.347 -3.927 5.381 1.00 0.00 C ATOM 357 O LEU A 23 10.148 -4.678 5.933 1.00 0.00 O ATOM 358 CB LEU A 23 10.387 -2.629 3.504 1.00 0.00 C ATOM 359 CG LEU A 23 10.320 -2.193 2.035 1.00 0.00 C ATOM 360 CD1 LEU A 23 11.452 -1.208 1.764 1.00 0.00 C ATOM 361 CD2 LEU A 23 10.485 -3.362 1.068 1.00 0.00 C ATOM 0 H LEU A 23 7.980 -2.510 2.948 1.00 0.00 H new ATOM 0 HA LEU A 23 9.749 -4.676 3.414 1.00 0.00 H new ATOM 0 HB2 LEU A 23 10.189 -1.765 4.139 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.400 -2.964 3.728 1.00 0.00 H new ATOM 0 HG LEU A 23 9.338 -1.749 1.874 1.00 0.00 H new ATOM 0 HD11 LEU A 23 11.416 -0.890 0.722 1.00 0.00 H new ATOM 0 HD12 LEU A 23 11.341 -0.339 2.413 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.409 -1.690 1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.429 -2.997 0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 23 11.453 -3.836 1.232 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.691 -4.089 1.238 1.00 0.00 H new ATOM 373 N GLY A 24 8.404 -3.251 6.056 1.00 0.00 N ATOM 374 CA GLY A 24 8.185 -3.477 7.482 1.00 0.00 C ATOM 375 C GLY A 24 7.565 -2.279 8.192 1.00 0.00 C ATOM 376 O GLY A 24 7.147 -1.319 7.546 1.00 0.00 O ATOM 0 H GLY A 24 7.790 -2.552 5.638 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.536 -4.343 7.610 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.137 -3.719 7.955 1.00 0.00 H new ATOM 380 N VAL A 25 7.505 -2.337 9.528 1.00 0.00 N ATOM 381 CA VAL A 25 6.983 -1.242 10.342 1.00 0.00 C ATOM 382 C VAL A 25 7.922 -0.952 11.509 1.00 0.00 C ATOM 383 O VAL A 25 8.761 -1.779 11.866 1.00 0.00 O ATOM 384 CB VAL A 25 5.571 -1.556 10.866 1.00 0.00 C ATOM 385 CG1 VAL A 25 4.696 -2.184 9.781 1.00 0.00 C ATOM 386 CG2 VAL A 25 5.598 -2.497 12.072 1.00 0.00 C ATOM 0 H VAL A 25 7.817 -3.143 10.070 1.00 0.00 H new ATOM 0 HA VAL A 25 6.919 -0.358 9.707 1.00 0.00 H new ATOM 0 HB VAL A 25 5.148 -0.599 11.171 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.706 -2.392 10.187 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.606 -1.494 8.942 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.151 -3.114 9.440 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.579 -2.689 12.406 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.071 -3.438 11.789 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.164 -2.035 12.881 1.00 0.00 H new ATOM 396 N SER A 26 7.767 0.233 12.105 1.00 0.00 N ATOM 397 CA SER A 26 8.539 0.677 13.259 1.00 0.00 C ATOM 398 C SER A 26 7.674 1.634 14.067 1.00 0.00 C ATOM 399 O SER A 26 7.476 2.777 13.659 1.00 0.00 O ATOM 400 CB SER A 26 9.815 1.387 12.804 1.00 0.00 C ATOM 401 OG SER A 26 10.626 0.523 12.035 1.00 0.00 O ATOM 0 H SER A 26 7.085 0.923 11.789 1.00 0.00 H new ATOM 0 HA SER A 26 8.826 -0.181 13.867 1.00 0.00 H new ATOM 0 HB2 SER A 26 9.556 2.268 12.216 1.00 0.00 H new ATOM 0 HB3 SER A 26 10.371 1.736 13.674 1.00 0.00 H new ATOM 0 HG SER A 26 11.435 0.998 11.754 1.00 0.00 H new ATOM 407 N GLY A 27 7.153 1.182 15.212 1.00 0.00 N ATOM 408 CA GLY A 27 6.204 1.959 15.986 1.00 0.00 C ATOM 409 C GLY A 27 4.907 2.080 15.205 1.00 0.00 C ATOM 410 O GLY A 27 4.081 1.174 15.241 1.00 0.00 O ATOM 0 H GLY A 27 7.380 0.274 15.618 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.021 1.479 16.947 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.610 2.948 16.196 1.00 0.00 H new ATOM 414 N GLN A 28 4.738 3.201 14.499 1.00 0.00 N ATOM 415 CA GLN A 28 3.607 3.418 13.605 1.00 0.00 C ATOM 416 C GLN A 28 4.084 3.808 12.211 1.00 0.00 C ATOM 417 O GLN A 28 3.262 4.019 11.321 1.00 0.00 O ATOM 418 CB GLN A 28 2.685 4.509 14.154 1.00 0.00 C ATOM 419 CG GLN A 28 1.954 4.138 15.443 1.00 0.00 C ATOM 420 CD GLN A 28 0.955 2.998 15.256 1.00 0.00 C ATOM 421 OE1 GLN A 28 -0.252 3.215 15.261 1.00 0.00 O ATOM 422 NE2 GLN A 28 1.436 1.771 15.088 1.00 0.00 N ATOM 0 H GLN A 28 5.388 3.986 14.535 1.00 0.00 H new ATOM 0 HA GLN A 28 3.052 2.482 13.540 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.275 5.408 14.333 1.00 0.00 H new ATOM 0 HB3 GLN A 28 1.946 4.759 13.392 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.685 3.853 16.199 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.429 5.015 15.822 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.444 1.614 15.087 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.797 0.986 14.960 1.00 0.00 H new ATOM 431 N GLN A 29 5.403 3.907 12.015 1.00 0.00 N ATOM 432 CA GLN A 29 5.964 4.114 10.691 1.00 0.00 C ATOM 433 C GLN A 29 5.833 2.818 9.910 1.00 0.00 C ATOM 434 O GLN A 29 5.777 1.736 10.493 1.00 0.00 O ATOM 435 CB GLN A 29 7.440 4.497 10.787 1.00 0.00 C ATOM 436 CG GLN A 29 7.586 5.932 11.292 1.00 0.00 C ATOM 437 CD GLN A 29 9.019 6.266 11.660 1.00 0.00 C ATOM 438 OE1 GLN A 29 9.251 7.036 12.586 1.00 0.00 O ATOM 439 NE2 GLN A 29 9.981 5.695 10.942 1.00 0.00 N ATOM 0 H GLN A 29 6.096 3.846 12.761 1.00 0.00 H new ATOM 0 HA GLN A 29 5.429 4.922 10.192 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.957 3.813 11.461 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.912 4.399 9.809 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.239 6.623 10.524 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.946 6.076 12.162 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.741 5.061 10.180 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.959 5.891 11.153 1.00 0.00 H new ATOM 448 N VAL A 30 5.788 2.931 8.584 1.00 0.00 N ATOM 449 CA VAL A 30 5.665 1.788 7.706 1.00 0.00 C ATOM 450 C VAL A 30 6.558 2.024 6.498 1.00 0.00 C ATOM 451 O VAL A 30 6.300 2.941 5.724 1.00 0.00 O ATOM 452 CB VAL A 30 4.201 1.637 7.272 1.00 0.00 C ATOM 453 CG1 VAL A 30 4.035 0.368 6.446 1.00 0.00 C ATOM 454 CG2 VAL A 30 3.259 1.534 8.470 1.00 0.00 C ATOM 0 H VAL A 30 5.837 3.825 8.095 1.00 0.00 H new ATOM 0 HA VAL A 30 5.969 0.873 8.214 1.00 0.00 H new ATOM 0 HB VAL A 30 3.948 2.524 6.691 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.994 0.266 6.141 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.669 0.424 5.561 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.324 -0.496 7.044 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.233 1.428 8.118 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.528 0.665 9.071 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.343 2.435 9.078 1.00 0.00 H new ATOM 464 N ARG A 31 7.606 1.206 6.340 1.00 0.00 N ATOM 465 CA ARG A 31 8.405 1.234 5.125 1.00 0.00 C ATOM 466 C ARG A 31 7.629 0.488 4.056 1.00 0.00 C ATOM 467 O ARG A 31 7.612 -0.745 4.046 1.00 0.00 O ATOM 468 CB ARG A 31 9.776 0.572 5.304 1.00 0.00 C ATOM 469 CG ARG A 31 10.794 1.510 5.953 1.00 0.00 C ATOM 470 CD ARG A 31 12.207 1.102 5.515 1.00 0.00 C ATOM 471 NE ARG A 31 12.572 -0.250 5.955 1.00 0.00 N ATOM 472 CZ ARG A 31 13.673 -0.878 5.539 1.00 0.00 C ATOM 473 NH1 ARG A 31 14.516 -0.283 4.696 1.00 0.00 N ATOM 474 NH2 ARG A 31 13.942 -2.110 5.962 1.00 0.00 N ATOM 0 H ARG A 31 7.912 0.525 7.035 1.00 0.00 H new ATOM 0 HA ARG A 31 8.589 2.273 4.852 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.667 -0.323 5.917 1.00 0.00 H new ATOM 0 HB3 ARG A 31 10.151 0.249 4.333 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.594 2.541 5.662 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.709 1.463 7.039 1.00 0.00 H new ATOM 0 HD2 ARG A 31 12.275 1.156 4.428 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.927 1.816 5.916 1.00 0.00 H new ATOM 0 HE ARG A 31 11.955 -0.732 6.609 1.00 0.00 H new ATOM 0 HH11 ARG A 31 14.322 0.661 4.363 1.00 0.00 H new ATOM 0 HH12 ARG A 31 15.355 -0.772 4.384 1.00 0.00 H new ATOM 0 HH21 ARG A 31 13.305 -2.578 6.607 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.785 -2.587 5.641 1.00 0.00 H new ATOM 488 N ILE A 32 6.995 1.251 3.166 1.00 0.00 N ATOM 489 CA ILE A 32 6.261 0.717 2.035 1.00 0.00 C ATOM 490 C ILE A 32 7.165 0.825 0.816 1.00 0.00 C ATOM 491 O ILE A 32 7.949 1.768 0.707 1.00 0.00 O ATOM 492 CB ILE A 32 4.971 1.520 1.821 1.00 0.00 C ATOM 493 CG1 ILE A 32 4.233 1.707 3.154 1.00 0.00 C ATOM 494 CG2 ILE A 32 4.089 0.794 0.798 1.00 0.00 C ATOM 495 CD1 ILE A 32 2.871 2.376 2.990 1.00 0.00 C ATOM 0 H ILE A 32 6.981 2.270 3.217 1.00 0.00 H new ATOM 0 HA ILE A 32 5.981 -0.322 2.209 1.00 0.00 H new ATOM 0 HB ILE A 32 5.215 2.510 1.435 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.100 0.735 3.629 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.849 2.308 3.823 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.171 1.360 0.642 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.625 0.705 -0.147 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.843 -0.200 1.170 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.397 2.481 3.966 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.001 3.361 2.542 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.240 1.764 2.345 1.00 0.00 H new ATOM 507 N GLY A 33 7.059 -0.131 -0.104 1.00 0.00 N ATOM 508 CA GLY A 33 7.833 -0.128 -1.328 1.00 0.00 C ATOM 509 C GLY A 33 6.880 -0.180 -2.511 1.00 0.00 C ATOM 510 O GLY A 33 5.794 -0.744 -2.398 1.00 0.00 O ATOM 0 H GLY A 33 6.430 -0.929 -0.015 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.452 0.768 -1.381 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.508 -0.983 -1.350 1.00 0.00 H new ATOM 514 N ILE A 34 7.281 0.402 -3.639 1.00 0.00 N ATOM 515 CA ILE A 34 6.441 0.448 -4.822 1.00 0.00 C ATOM 516 C ILE A 34 7.291 0.087 -6.030 1.00 0.00 C ATOM 517 O ILE A 34 8.474 0.430 -6.092 1.00 0.00 O ATOM 518 CB ILE A 34 5.818 1.846 -4.957 1.00 0.00 C ATOM 519 CG1 ILE A 34 4.998 2.161 -3.694 1.00 0.00 C ATOM 520 CG2 ILE A 34 4.935 1.898 -6.210 1.00 0.00 C ATOM 521 CD1 ILE A 34 4.392 3.560 -3.722 1.00 0.00 C ATOM 0 H ILE A 34 8.190 0.850 -3.753 1.00 0.00 H new ATOM 0 HA ILE A 34 5.623 -0.268 -4.747 1.00 0.00 H new ATOM 0 HB ILE A 34 6.603 2.595 -5.060 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.200 1.426 -3.590 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.637 2.063 -2.817 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.494 2.891 -6.304 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.541 1.685 -7.091 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.142 1.155 -6.127 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.824 3.729 -2.807 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.189 4.300 -3.797 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.729 3.652 -4.582 1.00 0.00 H new ATOM 533 N ASN A 35 6.680 -0.607 -6.992 1.00 0.00 N ATOM 534 CA ASN A 35 7.368 -1.074 -8.179 1.00 0.00 C ATOM 535 C ASN A 35 6.494 -0.787 -9.395 1.00 0.00 C ATOM 536 O ASN A 35 5.527 -1.500 -9.666 1.00 0.00 O ATOM 537 CB ASN A 35 7.682 -2.565 -8.027 1.00 0.00 C ATOM 538 CG ASN A 35 8.607 -3.079 -9.123 1.00 0.00 C ATOM 539 OD1 ASN A 35 8.877 -2.391 -10.100 1.00 0.00 O ATOM 540 ND2 ASN A 35 9.107 -4.301 -8.964 1.00 0.00 N ATOM 0 H ASN A 35 5.692 -0.857 -6.962 1.00 0.00 H new ATOM 0 HA ASN A 35 8.316 -0.553 -8.315 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.143 -2.739 -7.055 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.752 -3.133 -8.045 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.735 -4.691 -9.667 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.863 -4.849 -8.139 1.00 0.00 H new ATOM 547 N ALA A 36 6.852 0.273 -10.117 1.00 0.00 N ATOM 548 CA ALA A 36 6.124 0.730 -11.287 1.00 0.00 C ATOM 549 C ALA A 36 7.118 1.276 -12.314 1.00 0.00 C ATOM 550 O ALA A 36 8.203 1.721 -11.938 1.00 0.00 O ATOM 551 CB ALA A 36 5.149 1.824 -10.839 1.00 0.00 C ATOM 0 H ALA A 36 7.669 0.843 -9.898 1.00 0.00 H new ATOM 0 HA ALA A 36 5.568 -0.086 -11.748 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.588 2.186 -11.700 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.458 1.416 -10.101 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.707 2.649 -10.396 1.00 0.00 H new ATOM 557 N PRO A 37 6.771 1.253 -13.607 1.00 0.00 N ATOM 558 CA PRO A 37 7.609 1.799 -14.661 1.00 0.00 C ATOM 559 C PRO A 37 7.635 3.321 -14.585 1.00 0.00 C ATOM 560 O PRO A 37 6.683 3.940 -14.115 1.00 0.00 O ATOM 561 CB PRO A 37 6.956 1.331 -15.965 1.00 0.00 C ATOM 562 CG PRO A 37 5.482 1.166 -15.593 1.00 0.00 C ATOM 563 CD PRO A 37 5.545 0.698 -14.145 1.00 0.00 C ATOM 0 HA PRO A 37 8.644 1.466 -14.581 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.088 2.061 -16.764 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.388 0.394 -16.315 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.934 2.103 -15.691 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.984 0.437 -16.232 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.678 1.046 -13.583 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.548 -0.390 -14.085 1.00 0.00 H new ATOM 571 N LYS A 38 8.726 3.934 -15.049 1.00 0.00 N ATOM 572 CA LYS A 38 8.827 5.392 -15.110 1.00 0.00 C ATOM 573 C LYS A 38 7.814 5.956 -16.109 1.00 0.00 C ATOM 574 O LYS A 38 7.705 7.171 -16.265 1.00 0.00 O ATOM 575 CB LYS A 38 10.261 5.803 -15.462 1.00 0.00 C ATOM 576 CG LYS A 38 11.255 5.403 -14.357 1.00 0.00 C ATOM 577 CD LYS A 38 11.025 6.163 -13.043 1.00 0.00 C ATOM 578 CE LYS A 38 11.241 7.668 -13.188 1.00 0.00 C ATOM 579 NZ LYS A 38 12.622 7.987 -13.594 1.00 0.00 N ATOM 0 H LYS A 38 9.553 3.442 -15.388 1.00 0.00 H new ATOM 0 HA LYS A 38 8.589 5.811 -14.132 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.554 5.335 -16.402 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.303 6.881 -15.617 1.00 0.00 H new ATOM 0 HG2 LYS A 38 11.172 4.332 -14.171 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.271 5.588 -14.705 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.009 5.978 -12.694 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.700 5.775 -12.280 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.544 8.066 -13.926 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.018 8.160 -12.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.783 9.010 -13.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 13.290 7.475 -12.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.768 7.701 -14.583 1.00 0.00 H new ATOM 593 N ASP A 39 7.078 5.070 -16.786 1.00 0.00 N ATOM 594 CA ASP A 39 5.973 5.426 -17.662 1.00 0.00 C ATOM 595 C ASP A 39 4.805 6.002 -16.855 1.00 0.00 C ATOM 596 O ASP A 39 3.868 6.556 -17.432 1.00 0.00 O ATOM 597 CB ASP A 39 5.530 4.163 -18.408 1.00 0.00 C ATOM 598 CG ASP A 39 4.566 4.491 -19.547 1.00 0.00 C ATOM 599 OD1 ASP A 39 4.957 5.290 -20.427 1.00 0.00 O ATOM 600 OD2 ASP A 39 3.442 3.941 -19.530 1.00 0.00 O ATOM 0 H ASP A 39 7.243 4.065 -16.735 1.00 0.00 H new ATOM 0 HA ASP A 39 6.295 6.190 -18.370 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.405 3.650 -18.807 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.050 3.477 -17.710 1.00 0.00 H new ATOM 605 N VAL A 40 4.859 5.866 -15.524 1.00 0.00 N ATOM 606 CA VAL A 40 3.844 6.371 -14.610 1.00 0.00 C ATOM 607 C VAL A 40 4.525 7.001 -13.397 1.00 0.00 C ATOM 608 O VAL A 40 5.697 6.736 -13.122 1.00 0.00 O ATOM 609 CB VAL A 40 2.881 5.252 -14.180 1.00 0.00 C ATOM 610 CG1 VAL A 40 2.261 4.567 -15.400 1.00 0.00 C ATOM 611 CG2 VAL A 40 3.569 4.180 -13.336 1.00 0.00 C ATOM 0 H VAL A 40 5.627 5.391 -15.050 1.00 0.00 H new ATOM 0 HA VAL A 40 3.252 7.130 -15.122 1.00 0.00 H new ATOM 0 HB VAL A 40 2.111 5.735 -13.579 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.584 3.779 -15.070 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.707 5.300 -15.986 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.050 4.133 -16.014 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.844 3.414 -13.059 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.375 3.726 -13.912 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.979 4.635 -12.434 1.00 0.00 H new ATOM 621 N ALA A 41 3.793 7.840 -12.661 1.00 0.00 N ATOM 622 CA ALA A 41 4.356 8.584 -11.545 1.00 0.00 C ATOM 623 C ALA A 41 3.901 8.006 -10.206 1.00 0.00 C ATOM 624 O ALA A 41 2.874 7.336 -10.125 1.00 0.00 O ATOM 625 CB ALA A 41 3.937 10.050 -11.676 1.00 0.00 C ATOM 0 H ALA A 41 2.802 8.018 -12.824 1.00 0.00 H new ATOM 0 HA ALA A 41 5.443 8.507 -11.572 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.351 10.622 -10.846 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.311 10.453 -12.617 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.849 10.121 -11.658 1.00 0.00 H new ATOM 631 N VAL A 42 4.673 8.272 -9.150 1.00 0.00 N ATOM 632 CA VAL A 42 4.334 7.844 -7.795 1.00 0.00 C ATOM 633 C VAL A 42 4.969 8.799 -6.788 1.00 0.00 C ATOM 634 O VAL A 42 6.128 9.171 -6.940 1.00 0.00 O ATOM 635 CB VAL A 42 4.806 6.395 -7.589 1.00 0.00 C ATOM 636 CG1 VAL A 42 6.251 6.176 -8.042 1.00 0.00 C ATOM 637 CG2 VAL A 42 4.714 5.965 -6.132 1.00 0.00 C ATOM 0 H VAL A 42 5.550 8.790 -9.212 1.00 0.00 H new ATOM 0 HA VAL A 42 3.255 7.871 -7.644 1.00 0.00 H new ATOM 0 HB VAL A 42 4.135 5.794 -8.202 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.531 5.136 -7.874 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.339 6.408 -9.103 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.914 6.827 -7.472 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.058 4.935 -6.034 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.339 6.616 -5.520 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.679 6.036 -5.796 1.00 0.00 H new ATOM 647 N HIS A 43 4.210 9.195 -5.759 1.00 0.00 N ATOM 648 CA HIS A 43 4.677 10.131 -4.741 1.00 0.00 C ATOM 649 C HIS A 43 3.862 9.978 -3.463 1.00 0.00 C ATOM 650 O HIS A 43 2.788 9.376 -3.473 1.00 0.00 O ATOM 651 CB HIS A 43 4.472 11.573 -5.221 1.00 0.00 C ATOM 652 CG HIS A 43 4.999 11.874 -6.599 1.00 0.00 C ATOM 653 ND1 HIS A 43 6.302 12.274 -6.897 1.00 0.00 N ATOM 654 CD2 HIS A 43 4.268 11.805 -7.751 1.00 0.00 C ATOM 655 CE1 HIS A 43 6.324 12.437 -8.231 1.00 0.00 C ATOM 656 NE2 HIS A 43 5.120 12.160 -8.768 1.00 0.00 N ATOM 0 H HIS A 43 3.254 8.872 -5.613 1.00 0.00 H new ATOM 0 HA HIS A 43 5.731 9.919 -4.558 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.405 11.797 -5.201 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.952 12.246 -4.511 1.00 0.00 H new ATOM 0 HD1 HIS A 43 7.072 12.413 -6.243 1.00 0.00 H new ATOM 0 HD2 HIS A 43 3.228 11.527 -7.843 1.00 0.00 H new ATOM 0 HE1 HIS A 43 7.190 12.748 -8.796 1.00 0.00 H new ATOM 664 N ARG A 44 4.361 10.524 -2.352 1.00 0.00 N ATOM 665 CA ARG A 44 3.557 10.629 -1.142 1.00 0.00 C ATOM 666 C ARG A 44 2.535 11.750 -1.335 1.00 0.00 C ATOM 667 O ARG A 44 2.681 12.582 -2.228 1.00 0.00 O ATOM 668 CB ARG A 44 4.446 10.847 0.087 1.00 0.00 C ATOM 669 CG ARG A 44 5.342 12.074 -0.049 1.00 0.00 C ATOM 670 CD ARG A 44 6.201 12.215 1.204 1.00 0.00 C ATOM 671 NE ARG A 44 7.135 13.335 1.068 1.00 0.00 N ATOM 672 CZ ARG A 44 7.629 14.038 2.094 1.00 0.00 C ATOM 673 NH1 ARG A 44 7.269 13.760 3.343 1.00 0.00 N ATOM 674 NH2 ARG A 44 8.488 15.028 1.880 1.00 0.00 N ATOM 0 H ARG A 44 5.307 10.895 -2.269 1.00 0.00 H new ATOM 0 HA ARG A 44 3.019 9.698 -0.962 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.818 10.956 0.971 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.066 9.964 0.244 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.977 11.979 -0.930 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.734 12.968 -0.189 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.562 12.371 2.073 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.755 11.292 1.377 1.00 0.00 H new ATOM 0 HE ARG A 44 7.429 13.597 0.127 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.610 13.004 3.527 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.652 14.303 4.117 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.775 15.257 0.929 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.860 15.559 2.667 1.00 0.00 H new ATOM 688 N GLU A 45 1.501 11.774 -0.496 1.00 0.00 N ATOM 689 CA GLU A 45 0.364 12.672 -0.681 1.00 0.00 C ATOM 690 C GLU A 45 0.746 14.147 -0.520 1.00 0.00 C ATOM 691 O GLU A 45 0.064 15.015 -1.055 1.00 0.00 O ATOM 692 CB GLU A 45 -0.740 12.237 0.292 1.00 0.00 C ATOM 693 CG GLU A 45 -2.040 13.034 0.132 1.00 0.00 C ATOM 694 CD GLU A 45 -2.114 14.282 1.013 1.00 0.00 C ATOM 695 OE1 GLU A 45 -1.111 14.602 1.690 1.00 0.00 O ATOM 696 OE2 GLU A 45 -3.190 14.917 1.005 1.00 0.00 O ATOM 0 H GLU A 45 1.428 11.175 0.326 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.001 12.596 -1.705 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.951 11.178 0.141 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.378 12.348 1.314 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.147 13.331 -0.911 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.884 12.385 0.367 1.00 0.00 H new ATOM 703 N GLU A 46 1.829 14.447 0.207 1.00 0.00 N ATOM 704 CA GLU A 46 2.279 15.822 0.410 1.00 0.00 C ATOM 705 C GLU A 46 3.231 16.279 -0.698 1.00 0.00 C ATOM 706 O GLU A 46 3.701 17.418 -0.675 1.00 0.00 O ATOM 707 CB GLU A 46 2.924 15.958 1.793 1.00 0.00 C ATOM 708 CG GLU A 46 4.130 15.039 1.974 1.00 0.00 C ATOM 709 CD GLU A 46 4.545 14.983 3.444 1.00 0.00 C ATOM 710 OE1 GLU A 46 5.033 16.013 3.956 1.00 0.00 O ATOM 711 OE2 GLU A 46 4.373 13.899 4.044 1.00 0.00 O ATOM 0 H GLU A 46 2.411 13.747 0.666 1.00 0.00 H new ATOM 0 HA GLU A 46 1.409 16.477 0.363 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.234 16.992 1.945 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.182 15.732 2.559 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.887 14.037 1.620 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.962 15.398 1.369 1.00 0.00 H new ATOM 718 N ILE A 47 3.515 15.402 -1.668 1.00 0.00 N ATOM 719 CA ILE A 47 4.363 15.708 -2.811 1.00 0.00 C ATOM 720 C ILE A 47 3.557 15.572 -4.089 1.00 0.00 C ATOM 721 O ILE A 47 3.784 16.310 -5.043 1.00 0.00 O ATOM 722 CB ILE A 47 5.565 14.764 -2.813 1.00 0.00 C ATOM 723 CG1 ILE A 47 6.457 15.024 -1.592 1.00 0.00 C ATOM 724 CG2 ILE A 47 6.381 14.914 -4.099 1.00 0.00 C ATOM 725 CD1 ILE A 47 6.997 16.455 -1.527 1.00 0.00 C ATOM 0 H ILE A 47 3.154 14.448 -1.675 1.00 0.00 H new ATOM 0 HA ILE A 47 4.729 16.733 -2.746 1.00 0.00 H new ATOM 0 HB ILE A 47 5.187 13.743 -2.763 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.889 14.817 -0.685 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.295 14.328 -1.609 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.230 14.231 -4.073 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.752 14.680 -4.958 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.743 15.939 -4.183 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.619 16.569 -0.639 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.593 16.660 -2.417 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.164 17.156 -1.479 1.00 0.00 H new ATOM 737 N TYR A 48 2.610 14.632 -4.126 1.00 0.00 N ATOM 738 CA TYR A 48 1.780 14.427 -5.301 1.00 0.00 C ATOM 739 C TYR A 48 1.103 15.730 -5.718 1.00 0.00 C ATOM 740 O TYR A 48 1.114 16.077 -6.896 1.00 0.00 O ATOM 741 CB TYR A 48 0.744 13.355 -4.978 1.00 0.00 C ATOM 742 CG TYR A 48 -0.342 13.261 -6.024 1.00 0.00 C ATOM 743 CD1 TYR A 48 -0.014 13.035 -7.366 1.00 0.00 C ATOM 744 CD2 TYR A 48 -1.681 13.413 -5.640 1.00 0.00 C ATOM 745 CE1 TYR A 48 -1.023 12.973 -8.334 1.00 0.00 C ATOM 746 CE2 TYR A 48 -2.699 13.340 -6.597 1.00 0.00 C ATOM 747 CZ TYR A 48 -2.374 13.120 -7.951 1.00 0.00 C ATOM 748 OH TYR A 48 -3.355 13.051 -8.893 1.00 0.00 O ATOM 0 H TYR A 48 2.403 14.002 -3.350 1.00 0.00 H new ATOM 0 HA TYR A 48 2.398 14.100 -6.138 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.242 12.389 -4.889 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.293 13.571 -4.010 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.019 12.908 -7.655 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -1.928 13.587 -4.603 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -0.769 12.813 -9.371 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -3.731 13.452 -6.299 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.228 13.171 -8.465 1.00 0.00 H new ATOM 758 N GLN A 49 0.519 16.449 -4.753 1.00 0.00 N ATOM 759 CA GLN A 49 -0.185 17.701 -5.010 1.00 0.00 C ATOM 760 C GLN A 49 0.744 18.751 -5.599 1.00 0.00 C ATOM 761 O GLN A 49 0.286 19.669 -6.278 1.00 0.00 O ATOM 762 CB GLN A 49 -0.785 18.223 -3.703 1.00 0.00 C ATOM 763 CG GLN A 49 -1.731 17.204 -3.066 1.00 0.00 C ATOM 764 CD GLN A 49 -2.277 17.732 -1.745 1.00 0.00 C ATOM 765 OE1 GLN A 49 -3.058 18.680 -1.713 1.00 0.00 O ATOM 766 NE2 GLN A 49 -1.866 17.118 -0.643 1.00 0.00 N ATOM 0 H GLN A 49 0.524 16.174 -3.771 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.975 17.505 -5.735 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.017 18.461 -3.004 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.325 19.150 -3.896 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.555 16.990 -3.747 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.203 16.265 -2.898 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.217 16.334 -0.708 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.199 17.430 0.269 1.00 0.00 H new ATOM 775 N ARG A 50 2.050 18.628 -5.350 1.00 0.00 N ATOM 776 CA ARG A 50 3.014 19.571 -5.883 1.00 0.00 C ATOM 777 C ARG A 50 3.227 19.312 -7.371 1.00 0.00 C ATOM 778 O ARG A 50 3.277 20.261 -8.147 1.00 0.00 O ATOM 779 CB ARG A 50 4.309 19.452 -5.083 1.00 0.00 C ATOM 780 CG ARG A 50 5.328 20.459 -5.601 1.00 0.00 C ATOM 781 CD ARG A 50 6.549 20.433 -4.684 1.00 0.00 C ATOM 782 NE ARG A 50 6.231 21.005 -3.369 1.00 0.00 N ATOM 783 CZ ARG A 50 6.745 20.584 -2.210 1.00 0.00 C ATOM 784 NH1 ARG A 50 7.616 19.582 -2.166 1.00 0.00 N ATOM 785 NH2 ARG A 50 6.385 21.174 -1.076 1.00 0.00 N ATOM 0 H ARG A 50 2.456 17.883 -4.783 1.00 0.00 H new ATOM 0 HA ARG A 50 2.647 20.593 -5.787 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.112 19.631 -4.026 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.708 18.441 -5.167 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.617 20.213 -6.623 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.894 21.459 -5.624 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.896 19.407 -4.564 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.364 20.994 -5.141 1.00 0.00 H new ATOM 0 HE ARG A 50 5.569 21.781 -3.339 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.904 19.119 -3.028 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.997 19.276 -1.270 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.718 21.946 -1.092 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.775 20.855 -0.189 1.00 0.00 H new ATOM 799 N ILE A 51 3.348 18.048 -7.783 1.00 0.00 N ATOM 800 CA ILE A 51 3.508 17.719 -9.197 1.00 0.00 C ATOM 801 C ILE A 51 2.241 18.112 -9.963 1.00 0.00 C ATOM 802 O ILE A 51 2.290 18.284 -11.180 1.00 0.00 O ATOM 803 CB ILE A 51 3.866 16.234 -9.381 1.00 0.00 C ATOM 804 CG1 ILE A 51 5.296 15.925 -8.913 1.00 0.00 C ATOM 805 CG2 ILE A 51 3.813 15.836 -10.862 1.00 0.00 C ATOM 806 CD1 ILE A 51 5.408 15.856 -7.395 1.00 0.00 C ATOM 0 H ILE A 51 3.338 17.241 -7.159 1.00 0.00 H new ATOM 0 HA ILE A 51 4.340 18.290 -9.609 1.00 0.00 H new ATOM 0 HB ILE A 51 3.138 15.681 -8.788 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.619 14.976 -9.342 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.973 16.692 -9.290 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.070 14.782 -10.965 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.808 16.004 -11.248 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.524 16.439 -11.427 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.438 15.635 -7.116 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.113 16.813 -6.965 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.753 15.071 -7.017 1.00 0.00 H new ATOM 1635 N MET C 1 12.132 -0.021 -7.510 1.00 0.00 N ATOM 1636 CA MET C 1 11.582 0.121 -6.148 1.00 0.00 C ATOM 1637 C MET C 1 11.695 1.558 -5.674 1.00 0.00 C ATOM 1638 O MET C 1 12.777 2.135 -5.731 1.00 0.00 O ATOM 1639 CB MET C 1 12.339 -0.767 -5.158 1.00 0.00 C ATOM 1640 CG MET C 1 11.782 -0.609 -3.742 1.00 0.00 C ATOM 1641 SD MET C 1 10.237 -1.489 -3.428 1.00 0.00 S ATOM 1642 CE MET C 1 10.970 -3.118 -3.147 1.00 0.00 C ATOM 0 H1 MET C 1 12.046 -1.011 -7.818 1.00 0.00 H new ATOM 0 H2 MET C 1 11.604 0.592 -8.163 1.00 0.00 H new ATOM 0 H3 MET C 1 13.134 0.256 -7.510 1.00 0.00 H new ATOM 0 HA MET C 1 10.535 -0.180 -6.188 1.00 0.00 H new ATOM 0 HB2 MET C 1 12.264 -1.809 -5.468 1.00 0.00 H new ATOM 0 HB3 MET C 1 13.398 -0.507 -5.167 1.00 0.00 H new ATOM 0 HG2 MET C 1 12.532 -0.957 -3.032 1.00 0.00 H new ATOM 0 HG3 MET C 1 11.625 0.452 -3.546 1.00 0.00 H new ATOM 0 HE1 MET C 1 10.196 -3.815 -2.826 1.00 0.00 H new ATOM 0 HE2 MET C 1 11.422 -3.478 -4.071 1.00 0.00 H new ATOM 0 HE3 MET C 1 11.735 -3.044 -2.374 1.00 0.00 H new ATOM 1654 N LEU C 2 10.587 2.136 -5.206 1.00 0.00 N ATOM 1655 CA LEU C 2 10.583 3.465 -4.619 1.00 0.00 C ATOM 1656 C LEU C 2 9.947 3.334 -3.236 1.00 0.00 C ATOM 1657 O LEU C 2 8.750 3.076 -3.114 1.00 0.00 O ATOM 1658 CB LEU C 2 9.827 4.412 -5.554 1.00 0.00 C ATOM 1659 CG LEU C 2 9.912 5.905 -5.191 1.00 0.00 C ATOM 1660 CD1 LEU C 2 8.639 6.330 -4.480 1.00 0.00 C ATOM 1661 CD2 LEU C 2 11.089 6.273 -4.292 1.00 0.00 C ATOM 0 H LEU C 2 9.670 1.690 -5.226 1.00 0.00 H new ATOM 0 HA LEU C 2 11.582 3.885 -4.498 1.00 0.00 H new ATOM 0 HB2 LEU C 2 10.210 4.279 -6.566 1.00 0.00 H new ATOM 0 HB3 LEU C 2 8.777 4.118 -5.570 1.00 0.00 H new ATOM 0 HG LEU C 2 10.053 6.424 -6.139 1.00 0.00 H new ATOM 0 HD11 LEU C 2 8.701 7.388 -4.224 1.00 0.00 H new ATOM 0 HD12 LEU C 2 7.784 6.165 -5.135 1.00 0.00 H new ATOM 0 HD13 LEU C 2 8.517 5.743 -3.570 1.00 0.00 H new ATOM 0 HD21 LEU C 2 11.070 7.344 -4.088 1.00 0.00 H new ATOM 0 HD22 LEU C 2 11.016 5.723 -3.354 1.00 0.00 H new ATOM 0 HD23 LEU C 2 12.023 6.016 -4.792 1.00 0.00 H new ATOM 1673 N ILE C 3 10.763 3.509 -2.192 1.00 0.00 N ATOM 1674 CA ILE C 3 10.328 3.390 -0.809 1.00 0.00 C ATOM 1675 C ILE C 3 9.766 4.723 -0.333 1.00 0.00 C ATOM 1676 O ILE C 3 10.237 5.786 -0.731 1.00 0.00 O ATOM 1677 CB ILE C 3 11.497 2.988 0.109 1.00 0.00 C ATOM 1678 CG1 ILE C 3 11.975 1.552 -0.140 1.00 0.00 C ATOM 1679 CG2 ILE C 3 11.037 3.049 1.572 1.00 0.00 C ATOM 1680 CD1 ILE C 3 13.000 1.463 -1.262 1.00 0.00 C ATOM 0 H ILE C 3 11.752 3.739 -2.291 1.00 0.00 H new ATOM 0 HA ILE C 3 9.562 2.616 -0.762 1.00 0.00 H new ATOM 0 HB ILE C 3 12.312 3.681 -0.103 1.00 0.00 H new ATOM 0 HG12 ILE C 3 12.410 1.153 0.777 1.00 0.00 H new ATOM 0 HG13 ILE C 3 11.118 0.925 -0.385 1.00 0.00 H new ATOM 0 HG21 ILE C 3 11.862 2.765 2.225 1.00 0.00 H new ATOM 0 HG22 ILE C 3 10.718 4.063 1.811 1.00 0.00 H new ATOM 0 HG23 ILE C 3 10.204 2.362 1.720 1.00 0.00 H new ATOM 0 HD11 ILE C 3 13.304 0.425 -1.396 1.00 0.00 H new ATOM 0 HD12 ILE C 3 12.560 1.834 -2.187 1.00 0.00 H new ATOM 0 HD13 ILE C 3 13.871 2.066 -1.007 1.00 0.00 H new ATOM 1692 N LEU C 4 8.748 4.644 0.526 1.00 0.00 N ATOM 1693 CA LEU C 4 8.177 5.794 1.209 1.00 0.00 C ATOM 1694 C LEU C 4 7.801 5.353 2.619 1.00 0.00 C ATOM 1695 O LEU C 4 7.210 4.288 2.798 1.00 0.00 O ATOM 1696 CB LEU C 4 6.925 6.284 0.464 1.00 0.00 C ATOM 1697 CG LEU C 4 7.232 6.869 -0.917 1.00 0.00 C ATOM 1698 CD1 LEU C 4 5.921 7.191 -1.633 1.00 0.00 C ATOM 1699 CD2 LEU C 4 8.040 8.158 -0.809 1.00 0.00 C ATOM 0 H LEU C 4 8.294 3.763 0.767 1.00 0.00 H new ATOM 0 HA LEU C 4 8.896 6.613 1.241 1.00 0.00 H new ATOM 0 HB2 LEU C 4 6.229 5.453 0.352 1.00 0.00 H new ATOM 0 HB3 LEU C 4 6.424 7.040 1.068 1.00 0.00 H new ATOM 0 HG LEU C 4 7.812 6.130 -1.470 1.00 0.00 H new ATOM 0 HD11 LEU C 4 6.137 7.608 -2.617 1.00 0.00 H new ATOM 0 HD12 LEU C 4 5.335 6.279 -1.746 1.00 0.00 H new ATOM 0 HD13 LEU C 4 5.355 7.916 -1.048 1.00 0.00 H new ATOM 0 HD21 LEU C 4 8.240 8.546 -1.807 1.00 0.00 H new ATOM 0 HD22 LEU C 4 7.474 8.895 -0.240 1.00 0.00 H new ATOM 0 HD23 LEU C 4 8.984 7.955 -0.303 1.00 0.00 H new ATOM 1711 N THR C 5 8.141 6.164 3.624 1.00 0.00 N ATOM 1712 CA THR C 5 7.752 5.879 4.997 1.00 0.00 C ATOM 1713 C THR C 5 6.450 6.612 5.288 1.00 0.00 C ATOM 1714 O THR C 5 6.226 7.706 4.777 1.00 0.00 O ATOM 1715 CB THR C 5 8.824 6.333 5.993 1.00 0.00 C ATOM 1716 OG1 THR C 5 9.136 7.692 5.801 1.00 0.00 O ATOM 1717 CG2 THR C 5 10.092 5.508 5.827 1.00 0.00 C ATOM 0 H THR C 5 8.684 7.020 3.508 1.00 0.00 H new ATOM 0 HA THR C 5 7.628 4.802 5.110 1.00 0.00 H new ATOM 0 HB THR C 5 8.426 6.190 6.998 1.00 0.00 H new ATOM 0 HG1 THR C 5 9.821 7.965 6.447 1.00 0.00 H new ATOM 0 HG21 THR C 5 10.842 5.845 6.543 1.00 0.00 H new ATOM 0 HG22 THR C 5 9.868 4.456 6.005 1.00 0.00 H new ATOM 0 HG23 THR C 5 10.476 5.631 4.814 1.00 0.00 H new ATOM 1725 N ARG C 6 5.589 6.008 6.108 1.00 0.00 N ATOM 1726 CA ARG C 6 4.315 6.628 6.434 1.00 0.00 C ATOM 1727 C ARG C 6 3.853 6.248 7.839 1.00 0.00 C ATOM 1728 O ARG C 6 3.860 5.068 8.184 1.00 0.00 O ATOM 1729 CB ARG C 6 3.310 6.157 5.376 1.00 0.00 C ATOM 1730 CG ARG C 6 2.093 7.069 5.252 1.00 0.00 C ATOM 1731 CD ARG C 6 2.340 8.300 4.375 1.00 0.00 C ATOM 1732 NE ARG C 6 3.216 9.300 5.001 1.00 0.00 N ATOM 1733 CZ ARG C 6 3.294 10.574 4.603 1.00 0.00 C ATOM 1734 NH1 ARG C 6 2.548 11.019 3.590 1.00 0.00 N ATOM 1735 NH2 ARG C 6 4.117 11.418 5.217 1.00 0.00 N ATOM 0 H ARG C 6 5.751 5.103 6.550 1.00 0.00 H new ATOM 0 HA ARG C 6 4.405 7.714 6.428 1.00 0.00 H new ATOM 0 HB2 ARG C 6 3.811 6.098 4.410 1.00 0.00 H new ATOM 0 HB3 ARG C 6 2.977 5.149 5.625 1.00 0.00 H new ATOM 0 HG2 ARG C 6 1.262 6.498 4.838 1.00 0.00 H new ATOM 0 HG3 ARG C 6 1.791 7.396 6.247 1.00 0.00 H new ATOM 0 HD2 ARG C 6 2.782 7.981 3.431 1.00 0.00 H new ATOM 0 HD3 ARG C 6 1.383 8.765 4.137 1.00 0.00 H new ATOM 0 HE ARG C 6 3.798 9.005 5.785 1.00 0.00 H new ATOM 0 HH11 ARG C 6 1.909 10.385 3.110 1.00 0.00 H new ATOM 0 HH12 ARG C 6 2.617 11.993 3.296 1.00 0.00 H new ATOM 0 HH21 ARG C 6 4.692 11.095 5.995 1.00 0.00 H new ATOM 0 HH22 ARG C 6 4.174 12.389 4.910 1.00 0.00 H new ATOM 1749 N LYS C 7 3.454 7.239 8.646 1.00 0.00 N ATOM 1750 CA LYS C 7 2.855 6.987 9.955 1.00 0.00 C ATOM 1751 C LYS C 7 1.385 6.650 9.723 1.00 0.00 C ATOM 1752 O LYS C 7 0.779 7.176 8.787 1.00 0.00 O ATOM 1753 CB LYS C 7 2.974 8.247 10.827 1.00 0.00 C ATOM 1754 CG LYS C 7 3.456 7.975 12.256 1.00 0.00 C ATOM 1755 CD LYS C 7 4.899 7.463 12.315 1.00 0.00 C ATOM 1756 CE LYS C 7 5.392 7.395 13.764 1.00 0.00 C ATOM 1757 NZ LYS C 7 5.404 8.724 14.406 1.00 0.00 N ATOM 0 H LYS C 7 3.538 8.228 8.410 1.00 0.00 H new ATOM 0 HA LYS C 7 3.361 6.167 10.465 1.00 0.00 H new ATOM 0 HB2 LYS C 7 3.663 8.943 10.349 1.00 0.00 H new ATOM 0 HB3 LYS C 7 2.002 8.739 10.870 1.00 0.00 H new ATOM 0 HG2 LYS C 7 3.378 8.892 12.840 1.00 0.00 H new ATOM 0 HG3 LYS C 7 2.797 7.242 12.722 1.00 0.00 H new ATOM 0 HD2 LYS C 7 4.958 6.475 11.859 1.00 0.00 H new ATOM 0 HD3 LYS C 7 5.547 8.121 11.736 1.00 0.00 H new ATOM 0 HE2 LYS C 7 4.751 6.723 14.334 1.00 0.00 H new ATOM 0 HE3 LYS C 7 6.397 6.973 13.786 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 6.051 8.711 15.220 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 5.724 9.438 13.721 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 4.445 8.961 14.731 1.00 0.00 H new ATOM 1771 N VAL C 8 0.790 5.788 10.557 1.00 0.00 N ATOM 1772 CA VAL C 8 -0.618 5.452 10.373 1.00 0.00 C ATOM 1773 C VAL C 8 -1.467 6.723 10.373 1.00 0.00 C ATOM 1774 O VAL C 8 -1.241 7.629 11.173 1.00 0.00 O ATOM 1775 CB VAL C 8 -1.111 4.444 11.416 1.00 0.00 C ATOM 1776 CG1 VAL C 8 -0.216 3.204 11.423 1.00 0.00 C ATOM 1777 CG2 VAL C 8 -1.157 5.029 12.827 1.00 0.00 C ATOM 0 H VAL C 8 1.249 5.325 11.342 1.00 0.00 H new ATOM 0 HA VAL C 8 -0.723 4.966 9.403 1.00 0.00 H new ATOM 0 HB VAL C 8 -2.128 4.177 11.129 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -0.579 2.497 12.169 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -0.236 2.735 10.439 1.00 0.00 H new ATOM 0 HG13 VAL C 8 0.806 3.494 11.666 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -1.514 4.271 13.524 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -0.158 5.350 13.120 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -1.833 5.884 12.845 1.00 0.00 H new ATOM 1787 N GLY C 9 -2.447 6.787 9.466 1.00 0.00 N ATOM 1788 CA GLY C 9 -3.347 7.927 9.357 1.00 0.00 C ATOM 1789 C GLY C 9 -3.002 8.854 8.188 1.00 0.00 C ATOM 1790 O GLY C 9 -3.782 9.753 7.880 1.00 0.00 O ATOM 0 H GLY C 9 -2.634 6.047 8.789 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -4.368 7.566 9.238 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -3.317 8.497 10.286 1.00 0.00 H new ATOM 1794 N GLU C 10 -1.851 8.652 7.534 1.00 0.00 N ATOM 1795 CA GLU C 10 -1.445 9.487 6.403 1.00 0.00 C ATOM 1796 C GLU C 10 -1.710 8.778 5.068 1.00 0.00 C ATOM 1797 O GLU C 10 -2.293 7.693 5.045 1.00 0.00 O ATOM 1798 CB GLU C 10 0.025 9.879 6.555 1.00 0.00 C ATOM 1799 CG GLU C 10 0.266 10.710 7.824 1.00 0.00 C ATOM 1800 CD GLU C 10 -0.531 12.011 7.806 1.00 0.00 C ATOM 1801 OE1 GLU C 10 -0.473 12.717 6.774 1.00 0.00 O ATOM 1802 OE2 GLU C 10 -1.197 12.298 8.826 1.00 0.00 O ATOM 0 H GLU C 10 -1.186 7.916 7.771 1.00 0.00 H new ATOM 0 HA GLU C 10 -2.045 10.397 6.400 1.00 0.00 H new ATOM 0 HB2 GLU C 10 0.639 8.979 6.588 1.00 0.00 H new ATOM 0 HB3 GLU C 10 0.341 10.449 5.682 1.00 0.00 H new ATOM 0 HG2 GLU C 10 -0.012 10.125 8.701 1.00 0.00 H new ATOM 0 HG3 GLU C 10 1.329 10.935 7.915 1.00 0.00 H new ATOM 1809 N SER C 11 -1.281 9.381 3.950 1.00 0.00 N ATOM 1810 CA SER C 11 -1.615 8.876 2.622 1.00 0.00 C ATOM 1811 C SER C 11 -0.453 8.967 1.631 1.00 0.00 C ATOM 1812 O SER C 11 0.571 9.595 1.901 1.00 0.00 O ATOM 1813 CB SER C 11 -2.808 9.662 2.078 1.00 0.00 C ATOM 1814 OG SER C 11 -3.912 9.549 2.951 1.00 0.00 O ATOM 0 H SER C 11 -0.701 10.220 3.945 1.00 0.00 H new ATOM 0 HA SER C 11 -1.854 7.818 2.730 1.00 0.00 H new ATOM 0 HB2 SER C 11 -2.537 10.711 1.959 1.00 0.00 H new ATOM 0 HB3 SER C 11 -3.078 9.288 1.090 1.00 0.00 H new ATOM 0 HG SER C 11 -4.668 10.059 2.591 1.00 0.00 H new ATOM 1820 N ILE C 12 -0.639 8.325 0.475 1.00 0.00 N ATOM 1821 CA ILE C 12 0.318 8.217 -0.623 1.00 0.00 C ATOM 1822 C ILE C 12 -0.479 8.209 -1.936 1.00 0.00 C ATOM 1823 O ILE C 12 -1.693 8.017 -1.919 1.00 0.00 O ATOM 1824 CB ILE C 12 1.160 6.938 -0.443 1.00 0.00 C ATOM 1825 CG1 ILE C 12 1.986 7.050 0.845 1.00 0.00 C ATOM 1826 CG2 ILE C 12 2.099 6.672 -1.627 1.00 0.00 C ATOM 1827 CD1 ILE C 12 2.875 5.829 1.080 1.00 0.00 C ATOM 0 H ILE C 12 -1.513 7.840 0.271 1.00 0.00 H new ATOM 0 HA ILE C 12 1.012 9.058 -0.638 1.00 0.00 H new ATOM 0 HB ILE C 12 0.465 6.100 -0.387 1.00 0.00 H new ATOM 0 HG12 ILE C 12 2.608 7.944 0.797 1.00 0.00 H new ATOM 0 HG13 ILE C 12 1.314 7.174 1.694 1.00 0.00 H new ATOM 0 HG21 ILE C 12 2.666 5.759 -1.444 1.00 0.00 H new ATOM 0 HG22 ILE C 12 1.512 6.558 -2.538 1.00 0.00 H new ATOM 0 HG23 ILE C 12 2.787 7.510 -1.741 1.00 0.00 H new ATOM 0 HD11 ILE C 12 3.437 5.961 2.004 1.00 0.00 H new ATOM 0 HD12 ILE C 12 2.254 4.936 1.157 1.00 0.00 H new ATOM 0 HD13 ILE C 12 3.568 5.718 0.246 1.00 0.00 H new ATOM 1839 N ASN C 13 0.180 8.414 -3.081 1.00 0.00 N ATOM 1840 CA ASN C 13 -0.485 8.489 -4.375 1.00 0.00 C ATOM 1841 C ASN C 13 0.294 7.753 -5.465 1.00 0.00 C ATOM 1842 O ASN C 13 1.510 7.600 -5.385 1.00 0.00 O ATOM 1843 CB ASN C 13 -0.648 9.960 -4.761 1.00 0.00 C ATOM 1844 CG ASN C 13 -1.818 10.593 -4.026 1.00 0.00 C ATOM 1845 OD1 ASN C 13 -1.635 11.290 -3.030 1.00 0.00 O ATOM 1846 ND2 ASN C 13 -3.030 10.354 -4.510 1.00 0.00 N ATOM 0 H ASN C 13 1.192 8.532 -3.131 1.00 0.00 H new ATOM 0 HA ASN C 13 -1.457 8.004 -4.288 1.00 0.00 H new ATOM 0 HB2 ASN C 13 0.268 10.504 -4.529 1.00 0.00 H new ATOM 0 HB3 ASN C 13 -0.803 10.042 -5.837 1.00 0.00 H new ATOM 0 HD21 ASN C 13 -3.850 10.754 -4.053 1.00 0.00 H new ATOM 0 HD22 ASN C 13 -3.142 9.770 -5.339 1.00 0.00 H new ATOM 1853 N ILE C 14 -0.433 7.296 -6.489 1.00 0.00 N ATOM 1854 CA ILE C 14 0.132 6.574 -7.622 1.00 0.00 C ATOM 1855 C ILE C 14 -0.615 6.986 -8.889 1.00 0.00 C ATOM 1856 O ILE C 14 -1.824 7.235 -8.852 1.00 0.00 O ATOM 1857 CB ILE C 14 0.012 5.056 -7.391 1.00 0.00 C ATOM 1858 CG1 ILE C 14 0.705 4.651 -6.084 1.00 0.00 C ATOM 1859 CG2 ILE C 14 0.630 4.298 -8.571 1.00 0.00 C ATOM 1860 CD1 ILE C 14 0.582 3.154 -5.800 1.00 0.00 C ATOM 0 H ILE C 14 -1.443 7.421 -6.551 1.00 0.00 H new ATOM 0 HA ILE C 14 1.189 6.818 -7.730 1.00 0.00 H new ATOM 0 HB ILE C 14 -1.044 4.799 -7.314 1.00 0.00 H new ATOM 0 HG12 ILE C 14 1.759 4.923 -6.135 1.00 0.00 H new ATOM 0 HG13 ILE C 14 0.271 5.212 -5.256 1.00 0.00 H new ATOM 0 HG21 ILE C 14 0.542 3.225 -8.401 1.00 0.00 H new ATOM 0 HG22 ILE C 14 0.106 4.564 -9.489 1.00 0.00 H new ATOM 0 HG23 ILE C 14 1.683 4.565 -8.664 1.00 0.00 H new ATOM 0 HD11 ILE C 14 1.089 2.918 -4.864 1.00 0.00 H new ATOM 0 HD12 ILE C 14 -0.471 2.884 -5.720 1.00 0.00 H new ATOM 0 HD13 ILE C 14 1.040 2.591 -6.613 1.00 0.00 H new ATOM 1872 N GLY C 15 0.101 7.059 -10.012 1.00 0.00 N ATOM 1873 CA GLY C 15 -0.476 7.469 -11.281 1.00 0.00 C ATOM 1874 C GLY C 15 -1.122 8.845 -11.156 1.00 0.00 C ATOM 1875 O GLY C 15 -0.587 9.736 -10.499 1.00 0.00 O ATOM 0 H GLY C 15 1.095 6.835 -10.061 1.00 0.00 H new ATOM 0 HA2 GLY C 15 0.298 7.493 -12.048 1.00 0.00 H new ATOM 0 HA3 GLY C 15 -1.220 6.740 -11.601 1.00 0.00 H new ATOM 1879 N ASP C 16 -2.280 9.004 -11.793 1.00 0.00 N ATOM 1880 CA ASP C 16 -3.059 10.236 -11.754 1.00 0.00 C ATOM 1881 C ASP C 16 -4.509 9.908 -11.399 1.00 0.00 C ATOM 1882 O ASP C 16 -5.384 10.771 -11.494 1.00 0.00 O ATOM 1883 CB ASP C 16 -2.965 10.948 -13.104 1.00 0.00 C ATOM 1884 CG ASP C 16 -1.520 11.305 -13.450 1.00 0.00 C ATOM 1885 OD1 ASP C 16 -1.043 12.347 -12.946 1.00 0.00 O ATOM 1886 OD2 ASP C 16 -0.902 10.530 -14.212 1.00 0.00 O ATOM 0 H ASP C 16 -2.708 8.270 -12.358 1.00 0.00 H new ATOM 0 HA ASP C 16 -2.661 10.905 -10.991 1.00 0.00 H new ATOM 0 HB2 ASP C 16 -3.379 10.308 -13.883 1.00 0.00 H new ATOM 0 HB3 ASP C 16 -3.569 11.855 -13.081 1.00 0.00 H new ATOM 1891 N ASP C 17 -4.764 8.662 -10.990 1.00 0.00 N ATOM 1892 CA ASP C 17 -6.105 8.159 -10.711 1.00 0.00 C ATOM 1893 C ASP C 17 -6.126 7.225 -9.500 1.00 0.00 C ATOM 1894 O ASP C 17 -7.152 6.598 -9.243 1.00 0.00 O ATOM 1895 CB ASP C 17 -6.633 7.425 -11.948 1.00 0.00 C ATOM 1896 CG ASP C 17 -6.762 8.352 -13.150 1.00 0.00 C ATOM 1897 OD1 ASP C 17 -7.758 9.109 -13.188 1.00 0.00 O ATOM 1898 OD2 ASP C 17 -5.865 8.302 -14.024 1.00 0.00 O ATOM 0 H ASP C 17 -4.032 7.967 -10.842 1.00 0.00 H new ATOM 0 HA ASP C 17 -6.745 9.009 -10.475 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -5.962 6.602 -12.195 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -7.605 6.987 -11.722 1.00 0.00 H new ATOM 1903 N ILE C 18 -5.024 7.113 -8.742 1.00 0.00 N ATOM 1904 CA ILE C 18 -4.994 6.224 -7.588 1.00 0.00 C ATOM 1905 C ILE C 18 -4.455 6.944 -6.353 1.00 0.00 C ATOM 1906 O ILE C 18 -3.593 7.820 -6.442 1.00 0.00 O ATOM 1907 CB ILE C 18 -4.163 4.964 -7.893 1.00 0.00 C ATOM 1908 CG1 ILE C 18 -4.680 4.197 -9.117 1.00 0.00 C ATOM 1909 CG2 ILE C 18 -4.214 4.015 -6.694 1.00 0.00 C ATOM 1910 CD1 ILE C 18 -4.010 4.663 -10.410 1.00 0.00 C ATOM 0 H ILE C 18 -4.157 7.623 -8.910 1.00 0.00 H new ATOM 0 HA ILE C 18 -6.017 5.915 -7.375 1.00 0.00 H new ATOM 0 HB ILE C 18 -3.147 5.301 -8.098 1.00 0.00 H new ATOM 0 HG12 ILE C 18 -4.500 3.131 -8.979 1.00 0.00 H new ATOM 0 HG13 ILE C 18 -5.759 4.330 -9.199 1.00 0.00 H new ATOM 0 HG21 ILE C 18 -3.626 3.123 -6.910 1.00 0.00 H new ATOM 0 HG22 ILE C 18 -3.805 4.515 -5.816 1.00 0.00 H new ATOM 0 HG23 ILE C 18 -5.248 3.729 -6.500 1.00 0.00 H new ATOM 0 HD11 ILE C 18 -4.406 4.093 -11.251 1.00 0.00 H new ATOM 0 HD12 ILE C 18 -4.212 5.723 -10.563 1.00 0.00 H new ATOM 0 HD13 ILE C 18 -2.934 4.505 -10.339 1.00 0.00 H new ATOM 1922 N THR C 19 -4.979 6.553 -5.186 1.00 0.00 N ATOM 1923 CA THR C 19 -4.577 7.077 -3.887 1.00 0.00 C ATOM 1924 C THR C 19 -4.504 5.914 -2.906 1.00 0.00 C ATOM 1925 O THR C 19 -5.162 4.893 -3.102 1.00 0.00 O ATOM 1926 CB THR C 19 -5.586 8.130 -3.417 1.00 0.00 C ATOM 1927 OG1 THR C 19 -5.727 9.135 -4.398 1.00 0.00 O ATOM 1928 CG2 THR C 19 -5.154 8.783 -2.103 1.00 0.00 C ATOM 0 H THR C 19 -5.712 5.846 -5.123 1.00 0.00 H new ATOM 0 HA THR C 19 -3.601 7.557 -3.952 1.00 0.00 H new ATOM 0 HB THR C 19 -6.536 7.620 -3.256 1.00 0.00 H new ATOM 0 HG1 THR C 19 -6.374 9.803 -4.091 1.00 0.00 H new ATOM 0 HG21 THR C 19 -5.896 9.524 -1.804 1.00 0.00 H new ATOM 0 HG22 THR C 19 -5.069 8.021 -1.329 1.00 0.00 H new ATOM 0 HG23 THR C 19 -4.189 9.271 -2.239 1.00 0.00 H new ATOM 1936 N ILE C 20 -3.699 6.065 -1.853 1.00 0.00 N ATOM 1937 CA ILE C 20 -3.442 5.028 -0.866 1.00 0.00 C ATOM 1938 C ILE C 20 -3.503 5.660 0.518 1.00 0.00 C ATOM 1939 O ILE C 20 -3.141 6.821 0.683 1.00 0.00 O ATOM 1940 CB ILE C 20 -2.048 4.429 -1.111 1.00 0.00 C ATOM 1941 CG1 ILE C 20 -1.870 3.884 -2.533 1.00 0.00 C ATOM 1942 CG2 ILE C 20 -1.749 3.327 -0.092 1.00 0.00 C ATOM 1943 CD1 ILE C 20 -2.746 2.668 -2.819 1.00 0.00 C ATOM 0 H ILE C 20 -3.199 6.933 -1.663 1.00 0.00 H new ATOM 0 HA ILE C 20 -4.185 4.234 -0.942 1.00 0.00 H new ATOM 0 HB ILE C 20 -1.338 5.247 -0.989 1.00 0.00 H new ATOM 0 HG12 ILE C 20 -2.105 4.671 -3.250 1.00 0.00 H new ATOM 0 HG13 ILE C 20 -0.825 3.616 -2.685 1.00 0.00 H new ATOM 0 HG21 ILE C 20 -0.758 2.915 -0.282 1.00 0.00 H new ATOM 0 HG22 ILE C 20 -1.782 3.744 0.915 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -2.494 2.536 -0.182 1.00 0.00 H new ATOM 0 HD11 ILE C 20 -2.575 2.329 -3.841 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -2.495 1.867 -2.124 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -3.795 2.938 -2.697 1.00 0.00 H new ATOM 1955 N THR C 21 -3.961 4.901 1.517 1.00 0.00 N ATOM 1956 CA THR C 21 -4.101 5.404 2.872 1.00 0.00 C ATOM 1957 C THR C 21 -3.731 4.305 3.861 1.00 0.00 C ATOM 1958 O THR C 21 -4.359 3.247 3.880 1.00 0.00 O ATOM 1959 CB THR C 21 -5.546 5.856 3.111 1.00 0.00 C ATOM 1960 OG1 THR C 21 -5.959 6.737 2.085 1.00 0.00 O ATOM 1961 CG2 THR C 21 -5.669 6.577 4.451 1.00 0.00 C ATOM 0 H THR C 21 -4.242 3.927 1.403 1.00 0.00 H new ATOM 0 HA THR C 21 -3.436 6.256 3.013 1.00 0.00 H new ATOM 0 HB THR C 21 -6.178 4.968 3.115 1.00 0.00 H new ATOM 0 HG1 THR C 21 -6.884 7.018 2.247 1.00 0.00 H new ATOM 0 HG21 THR C 21 -6.702 6.890 4.602 1.00 0.00 H new ATOM 0 HG22 THR C 21 -5.372 5.904 5.255 1.00 0.00 H new ATOM 0 HG23 THR C 21 -5.020 7.453 4.454 1.00 0.00 H new ATOM 1969 N ILE C 22 -2.711 4.550 4.685 1.00 0.00 N ATOM 1970 CA ILE C 22 -2.287 3.606 5.711 1.00 0.00 C ATOM 1971 C ILE C 22 -3.275 3.678 6.874 1.00 0.00 C ATOM 1972 O ILE C 22 -3.118 4.477 7.795 1.00 0.00 O ATOM 1973 CB ILE C 22 -0.827 3.867 6.124 1.00 0.00 C ATOM 1974 CG1 ILE C 22 -0.408 3.029 7.333 1.00 0.00 C ATOM 1975 CG2 ILE C 22 -0.555 5.337 6.440 1.00 0.00 C ATOM 1976 CD1 ILE C 22 -0.611 1.534 7.083 1.00 0.00 C ATOM 0 H ILE C 22 -2.159 5.407 4.657 1.00 0.00 H new ATOM 0 HA ILE C 22 -2.300 2.586 5.327 1.00 0.00 H new ATOM 0 HB ILE C 22 -0.236 3.576 5.256 1.00 0.00 H new ATOM 0 HG12 ILE C 22 0.640 3.220 7.563 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -0.986 3.334 8.205 1.00 0.00 H new ATOM 0 HG21 ILE C 22 0.490 5.461 6.725 1.00 0.00 H new ATOM 0 HG22 ILE C 22 -0.765 5.943 5.559 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -1.195 5.657 7.262 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -0.302 0.972 7.965 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -1.664 1.339 6.879 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -0.012 1.224 6.227 1.00 0.00 H new ATOM 1988 N LEU C 23 -4.309 2.835 6.826 1.00 0.00 N ATOM 1989 CA LEU C 23 -5.363 2.846 7.834 1.00 0.00 C ATOM 1990 C LEU C 23 -4.817 2.450 9.202 1.00 0.00 C ATOM 1991 O LEU C 23 -5.321 2.922 10.218 1.00 0.00 O ATOM 1992 CB LEU C 23 -6.480 1.881 7.427 1.00 0.00 C ATOM 1993 CG LEU C 23 -6.956 2.096 5.988 1.00 0.00 C ATOM 1994 CD1 LEU C 23 -8.103 1.137 5.696 1.00 0.00 C ATOM 1995 CD2 LEU C 23 -7.464 3.517 5.761 1.00 0.00 C ATOM 0 H LEU C 23 -4.436 2.135 6.095 1.00 0.00 H new ATOM 0 HA LEU C 23 -5.759 3.859 7.902 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -6.127 0.856 7.538 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -7.324 2.003 8.106 1.00 0.00 H new ATOM 0 HG LEU C 23 -6.105 1.919 5.330 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -8.448 1.284 4.673 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -7.759 0.110 5.819 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -8.924 1.330 6.387 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -7.792 3.625 4.727 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -8.302 3.715 6.430 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -6.662 4.227 5.964 1.00 0.00 H new ATOM 2007 N GLY C 24 -3.793 1.591 9.240 1.00 0.00 N ATOM 2008 CA GLY C 24 -3.145 1.243 10.496 1.00 0.00 C ATOM 2009 C GLY C 24 -2.436 -0.105 10.443 1.00 0.00 C ATOM 2010 O GLY C 24 -2.293 -0.698 9.372 1.00 0.00 O ATOM 0 H GLY C 24 -3.402 1.130 8.419 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -2.423 2.018 10.754 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -3.890 1.225 11.291 1.00 0.00 H new ATOM 2014 N VAL C 25 -1.989 -0.590 11.606 1.00 0.00 N ATOM 2015 CA VAL C 25 -1.315 -1.880 11.713 1.00 0.00 C ATOM 2016 C VAL C 25 -1.908 -2.700 12.860 1.00 0.00 C ATOM 2017 O VAL C 25 -2.620 -2.167 13.710 1.00 0.00 O ATOM 2018 CB VAL C 25 0.202 -1.701 11.896 1.00 0.00 C ATOM 2019 CG1 VAL C 25 0.763 -0.667 10.919 1.00 0.00 C ATOM 2020 CG2 VAL C 25 0.556 -1.283 13.323 1.00 0.00 C ATOM 0 H VAL C 25 -2.086 -0.098 12.494 1.00 0.00 H new ATOM 0 HA VAL C 25 -1.475 -2.423 10.782 1.00 0.00 H new ATOM 0 HB VAL C 25 0.654 -2.672 11.691 1.00 0.00 H new ATOM 0 HG11 VAL C 25 1.837 -0.564 11.075 1.00 0.00 H new ATOM 0 HG12 VAL C 25 0.574 -0.993 9.896 1.00 0.00 H new ATOM 0 HG13 VAL C 25 0.278 0.294 11.089 1.00 0.00 H new ATOM 0 HG21 VAL C 25 1.636 -1.167 13.411 1.00 0.00 H new ATOM 0 HG22 VAL C 25 0.069 -0.336 13.556 1.00 0.00 H new ATOM 0 HG23 VAL C 25 0.215 -2.047 14.021 1.00 0.00 H new ATOM 2030 N SER C 26 -1.603 -3.995 12.876 1.00 0.00 N ATOM 2031 CA SER C 26 -2.038 -4.903 13.928 1.00 0.00 C ATOM 2032 C SER C 26 -1.030 -6.040 14.014 1.00 0.00 C ATOM 2033 O SER C 26 -1.015 -6.922 13.159 1.00 0.00 O ATOM 2034 CB SER C 26 -3.437 -5.431 13.615 1.00 0.00 C ATOM 2035 OG SER C 26 -3.848 -6.314 14.636 1.00 0.00 O ATOM 0 H SER C 26 -1.042 -4.445 12.152 1.00 0.00 H new ATOM 0 HA SER C 26 -2.088 -4.387 14.887 1.00 0.00 H new ATOM 0 HB2 SER C 26 -4.140 -4.602 13.532 1.00 0.00 H new ATOM 0 HB3 SER C 26 -3.436 -5.945 12.654 1.00 0.00 H new ATOM 0 HG SER C 26 -4.746 -6.651 14.435 1.00 0.00 H new ATOM 2041 N GLY C 27 -0.182 -6.022 15.047 1.00 0.00 N ATOM 2042 CA GLY C 27 0.915 -6.968 15.153 1.00 0.00 C ATOM 2043 C GLY C 27 1.936 -6.675 14.067 1.00 0.00 C ATOM 2044 O GLY C 27 2.788 -5.804 14.230 1.00 0.00 O ATOM 0 H GLY C 27 -0.241 -5.358 15.819 1.00 0.00 H new ATOM 0 HA2 GLY C 27 1.381 -6.894 16.136 1.00 0.00 H new ATOM 0 HA3 GLY C 27 0.542 -7.987 15.053 1.00 0.00 H new ATOM 2048 N GLN C 28 1.846 -7.406 12.954 1.00 0.00 N ATOM 2049 CA GLN C 28 2.658 -7.167 11.766 1.00 0.00 C ATOM 2050 C GLN C 28 1.774 -7.005 10.537 1.00 0.00 C ATOM 2051 O GLN C 28 2.290 -6.814 9.436 1.00 0.00 O ATOM 2052 CB GLN C 28 3.650 -8.314 11.560 1.00 0.00 C ATOM 2053 CG GLN C 28 4.783 -8.315 12.585 1.00 0.00 C ATOM 2054 CD GLN C 28 5.672 -7.078 12.480 1.00 0.00 C ATOM 2055 OE1 GLN C 28 6.709 -7.110 11.824 1.00 0.00 O ATOM 2056 NE2 GLN C 28 5.287 -5.980 13.125 1.00 0.00 N ATOM 0 H GLN C 28 1.199 -8.188 12.854 1.00 0.00 H new ATOM 0 HA GLN C 28 3.218 -6.243 11.912 1.00 0.00 H new ATOM 0 HB2 GLN C 28 3.116 -9.263 11.616 1.00 0.00 H new ATOM 0 HB3 GLN C 28 4.074 -8.245 10.558 1.00 0.00 H new ATOM 0 HG2 GLN C 28 4.360 -8.370 13.588 1.00 0.00 H new ATOM 0 HG3 GLN C 28 5.392 -9.208 12.447 1.00 0.00 H new ATOM 0 HE21 GLN C 28 4.420 -5.982 13.663 1.00 0.00 H new ATOM 0 HE22 GLN C 28 5.859 -5.136 13.082 1.00 0.00 H new ATOM 2065 N GLN C 29 0.449 -7.075 10.710 1.00 0.00 N ATOM 2066 CA GLN C 29 -0.473 -6.782 9.627 1.00 0.00 C ATOM 2067 C GLN C 29 -0.481 -5.287 9.367 1.00 0.00 C ATOM 2068 O GLN C 29 -0.079 -4.494 10.216 1.00 0.00 O ATOM 2069 CB GLN C 29 -1.902 -7.192 9.974 1.00 0.00 C ATOM 2070 CG GLN C 29 -2.117 -8.698 9.918 1.00 0.00 C ATOM 2071 CD GLN C 29 -3.607 -8.989 9.972 1.00 0.00 C ATOM 2072 OE1 GLN C 29 -4.214 -9.327 8.959 1.00 0.00 O ATOM 2073 NE2 GLN C 29 -4.206 -8.859 11.151 1.00 0.00 N ATOM 0 H GLN C 29 0.001 -7.332 11.589 1.00 0.00 H new ATOM 0 HA GLN C 29 -0.139 -7.343 8.754 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -2.145 -6.832 10.974 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -2.592 -6.706 9.284 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -1.687 -9.106 9.003 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -1.609 -9.182 10.752 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -3.666 -8.576 11.969 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -5.206 -9.042 11.238 1.00 0.00 H new ATOM 2082 N VAL C 30 -0.948 -4.913 8.178 1.00 0.00 N ATOM 2083 CA VAL C 30 -1.117 -3.530 7.801 1.00 0.00 C ATOM 2084 C VAL C 30 -2.446 -3.420 7.069 1.00 0.00 C ATOM 2085 O VAL C 30 -2.638 -4.076 6.045 1.00 0.00 O ATOM 2086 CB VAL C 30 0.038 -3.096 6.889 1.00 0.00 C ATOM 2087 CG1 VAL C 30 -0.100 -1.610 6.587 1.00 0.00 C ATOM 2088 CG2 VAL C 30 1.396 -3.321 7.554 1.00 0.00 C ATOM 0 H VAL C 30 -1.219 -5.574 7.450 1.00 0.00 H new ATOM 0 HA VAL C 30 -1.113 -2.881 8.677 1.00 0.00 H new ATOM 0 HB VAL C 30 -0.011 -3.694 5.979 1.00 0.00 H new ATOM 0 HG11 VAL C 30 0.717 -1.293 5.939 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -1.051 -1.427 6.087 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -0.065 -1.045 7.518 1.00 0.00 H new ATOM 0 HG21 VAL C 30 2.189 -3.002 6.878 1.00 0.00 H new ATOM 0 HG22 VAL C 30 1.450 -2.742 8.476 1.00 0.00 H new ATOM 0 HG23 VAL C 30 1.518 -4.380 7.783 1.00 0.00 H new ATOM 2098 N ARG C 31 -3.359 -2.594 7.596 1.00 0.00 N ATOM 2099 CA ARG C 31 -4.583 -2.247 6.893 1.00 0.00 C ATOM 2100 C ARG C 31 -4.238 -1.107 5.953 1.00 0.00 C ATOM 2101 O ARG C 31 -3.790 -0.047 6.394 1.00 0.00 O ATOM 2102 CB ARG C 31 -5.683 -1.767 7.837 1.00 0.00 C ATOM 2103 CG ARG C 31 -6.468 -2.911 8.475 1.00 0.00 C ATOM 2104 CD ARG C 31 -7.873 -2.424 8.830 1.00 0.00 C ATOM 2105 NE ARG C 31 -7.860 -1.310 9.789 1.00 0.00 N ATOM 2106 CZ ARG C 31 -8.957 -0.628 10.133 1.00 0.00 C ATOM 2107 NH1 ARG C 31 -10.144 -0.932 9.611 1.00 0.00 N ATOM 2108 NH2 ARG C 31 -8.874 0.367 11.008 1.00 0.00 N ATOM 0 H ARG C 31 -3.264 -2.156 8.512 1.00 0.00 H new ATOM 0 HA ARG C 31 -4.956 -3.132 6.377 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -5.238 -1.157 8.623 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -6.371 -1.125 7.287 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -6.526 -3.755 7.788 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -5.956 -3.264 9.370 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -8.385 -2.110 7.921 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -8.446 -3.252 9.248 1.00 0.00 H new ATOM 0 HE ARG C 31 -6.971 -1.045 10.212 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -10.225 -1.695 8.939 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -10.972 -0.402 9.884 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -7.973 0.612 11.418 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -9.712 0.887 11.270 1.00 0.00 H new ATOM 2122 N ILE C 32 -4.457 -1.340 4.660 1.00 0.00 N ATOM 2123 CA ILE C 32 -4.189 -0.355 3.632 1.00 0.00 C ATOM 2124 C ILE C 32 -5.462 -0.119 2.838 1.00 0.00 C ATOM 2125 O ILE C 32 -6.030 -1.058 2.283 1.00 0.00 O ATOM 2126 CB ILE C 32 -3.070 -0.844 2.704 1.00 0.00 C ATOM 2127 CG1 ILE C 32 -1.930 -1.462 3.521 1.00 0.00 C ATOM 2128 CG2 ILE C 32 -2.586 0.334 1.853 1.00 0.00 C ATOM 2129 CD1 ILE C 32 -0.699 -1.766 2.668 1.00 0.00 C ATOM 0 H ILE C 32 -4.826 -2.221 4.303 1.00 0.00 H new ATOM 0 HA ILE C 32 -3.864 0.577 4.094 1.00 0.00 H new ATOM 0 HB ILE C 32 -3.446 -1.623 2.041 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -1.652 -0.780 4.325 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -2.280 -2.382 3.990 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -1.790 -0.000 1.188 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -3.415 0.720 1.260 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -2.208 1.122 2.504 1.00 0.00 H new ATOM 0 HD11 ILE C 32 0.079 -2.202 3.294 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -0.967 -2.470 1.880 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -0.330 -0.843 2.220 1.00 0.00 H new ATOM 2141 N GLY C 33 -5.904 1.137 2.792 1.00 0.00 N ATOM 2142 CA GLY C 33 -7.045 1.532 1.995 1.00 0.00 C ATOM 2143 C GLY C 33 -6.537 1.993 0.639 1.00 0.00 C ATOM 2144 O GLY C 33 -5.446 2.551 0.541 1.00 0.00 O ATOM 0 H GLY C 33 -5.475 1.904 3.310 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -7.736 0.697 1.879 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -7.595 2.334 2.488 1.00 0.00 H new ATOM 2148 N ILE C 34 -7.329 1.760 -0.406 1.00 0.00 N ATOM 2149 CA ILE C 34 -6.950 2.139 -1.752 1.00 0.00 C ATOM 2150 C ILE C 34 -8.157 2.791 -2.400 1.00 0.00 C ATOM 2151 O ILE C 34 -9.295 2.391 -2.150 1.00 0.00 O ATOM 2152 CB ILE C 34 -6.471 0.896 -2.525 1.00 0.00 C ATOM 2153 CG1 ILE C 34 -5.317 0.229 -1.760 1.00 0.00 C ATOM 2154 CG2 ILE C 34 -6.039 1.310 -3.938 1.00 0.00 C ATOM 2155 CD1 ILE C 34 -4.817 -1.043 -2.442 1.00 0.00 C ATOM 0 H ILE C 34 -8.241 1.308 -0.338 1.00 0.00 H new ATOM 0 HA ILE C 34 -6.122 2.848 -1.752 1.00 0.00 H new ATOM 0 HB ILE C 34 -7.282 0.173 -2.614 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -4.492 0.935 -1.667 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -5.647 -0.011 -0.749 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -5.700 0.431 -4.487 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -6.884 1.760 -4.460 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -5.226 2.033 -3.873 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -4.002 -1.472 -1.859 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -5.632 -1.763 -2.511 1.00 0.00 H new ATOM 0 HD13 ILE C 34 -4.459 -0.803 -3.443 1.00 0.00 H new ATOM 2167 N ASN C 35 -7.912 3.802 -3.234 1.00 0.00 N ATOM 2168 CA ASN C 35 -8.974 4.555 -3.869 1.00 0.00 C ATOM 2169 C ASN C 35 -8.620 4.748 -5.335 1.00 0.00 C ATOM 2170 O ASN C 35 -7.760 5.554 -5.680 1.00 0.00 O ATOM 2171 CB ASN C 35 -9.160 5.885 -3.131 1.00 0.00 C ATOM 2172 CG ASN C 35 -10.419 6.614 -3.575 1.00 0.00 C ATOM 2173 OD1 ASN C 35 -11.117 6.183 -4.487 1.00 0.00 O ATOM 2174 ND2 ASN C 35 -10.720 7.736 -2.931 1.00 0.00 N ATOM 0 H ASN C 35 -6.973 4.115 -3.482 1.00 0.00 H new ATOM 0 HA ASN C 35 -9.923 4.021 -3.819 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -9.208 5.700 -2.058 1.00 0.00 H new ATOM 0 HB3 ASN C 35 -8.292 6.521 -3.306 1.00 0.00 H new ATOM 0 HD21 ASN C 35 -11.552 8.266 -3.191 1.00 0.00 H new ATOM 0 HD22 ASN C 35 -10.119 8.068 -2.177 1.00 0.00 H new ATOM 2181 N ALA C 36 -9.303 3.985 -6.190 1.00 0.00 N ATOM 2182 CA ALA C 36 -9.078 3.987 -7.622 1.00 0.00 C ATOM 2183 C ALA C 36 -10.407 3.752 -8.337 1.00 0.00 C ATOM 2184 O ALA C 36 -11.325 3.182 -7.745 1.00 0.00 O ATOM 2185 CB ALA C 36 -8.083 2.869 -7.941 1.00 0.00 C ATOM 0 H ALA C 36 -10.037 3.341 -5.895 1.00 0.00 H new ATOM 0 HA ALA C 36 -8.674 4.942 -7.958 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -7.894 2.846 -9.014 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -7.148 3.052 -7.411 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -8.498 1.912 -7.625 1.00 0.00 H new ATOM 2191 N PRO C 37 -10.539 4.178 -9.599 1.00 0.00 N ATOM 2192 CA PRO C 37 -11.732 3.945 -10.393 1.00 0.00 C ATOM 2193 C PRO C 37 -11.812 2.476 -10.796 1.00 0.00 C ATOM 2194 O PRO C 37 -10.786 1.804 -10.910 1.00 0.00 O ATOM 2195 CB PRO C 37 -11.561 4.838 -11.621 1.00 0.00 C ATOM 2196 CG PRO C 37 -10.047 4.923 -11.797 1.00 0.00 C ATOM 2197 CD PRO C 37 -9.546 4.919 -10.354 1.00 0.00 C ATOM 0 HA PRO C 37 -12.650 4.172 -9.850 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -12.043 4.408 -12.499 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -12.002 5.822 -11.465 1.00 0.00 H new ATOM 0 HG2 PRO C 37 -9.656 4.078 -12.365 1.00 0.00 H new ATOM 0 HG3 PRO C 37 -9.750 5.828 -12.327 1.00 0.00 H new ATOM 0 HD2 PRO C 37 -8.566 4.448 -10.281 1.00 0.00 H new ATOM 0 HD3 PRO C 37 -9.441 5.935 -9.973 1.00 0.00 H new ATOM 2205 N LYS C 38 -13.026 1.961 -11.021 1.00 0.00 N ATOM 2206 CA LYS C 38 -13.199 0.596 -11.505 1.00 0.00 C ATOM 2207 C LYS C 38 -12.623 0.453 -12.918 1.00 0.00 C ATOM 2208 O LYS C 38 -12.592 -0.646 -13.467 1.00 0.00 O ATOM 2209 CB LYS C 38 -14.683 0.209 -11.447 1.00 0.00 C ATOM 2210 CG LYS C 38 -15.189 0.076 -10.007 1.00 0.00 C ATOM 2211 CD LYS C 38 -14.551 -1.067 -9.207 1.00 0.00 C ATOM 2212 CE LYS C 38 -15.072 -2.458 -9.589 1.00 0.00 C ATOM 2213 NZ LYS C 38 -14.542 -2.929 -10.882 1.00 0.00 N ATOM 0 H LYS C 38 -13.897 2.471 -10.875 1.00 0.00 H new ATOM 0 HA LYS C 38 -12.649 -0.091 -10.862 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -15.274 0.961 -11.970 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -14.832 -0.735 -11.971 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -15.006 1.014 -9.484 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -16.269 -0.072 -10.028 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -13.471 -1.041 -9.353 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -14.733 -0.900 -8.145 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -14.801 -3.170 -8.809 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -16.161 -2.434 -9.634 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -14.302 -3.938 -10.812 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -15.261 -2.795 -11.622 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -13.689 -2.386 -11.126 1.00 0.00 H new ATOM 2227 N ASP C 39 -12.173 1.566 -13.504 1.00 0.00 N ATOM 2228 CA ASP C 39 -11.455 1.579 -14.770 1.00 0.00 C ATOM 2229 C ASP C 39 -10.075 0.931 -14.622 1.00 0.00 C ATOM 2230 O ASP C 39 -9.387 0.717 -15.618 1.00 0.00 O ATOM 2231 CB ASP C 39 -11.310 3.027 -15.244 1.00 0.00 C ATOM 2232 CG ASP C 39 -12.657 3.619 -15.647 1.00 0.00 C ATOM 2233 OD1 ASP C 39 -13.088 3.352 -16.790 1.00 0.00 O ATOM 2234 OD2 ASP C 39 -13.246 4.334 -14.806 1.00 0.00 O ATOM 0 H ASP C 39 -12.302 2.494 -13.102 1.00 0.00 H new ATOM 0 HA ASP C 39 -12.017 1.003 -15.505 1.00 0.00 H new ATOM 0 HB2 ASP C 39 -10.870 3.629 -14.449 1.00 0.00 H new ATOM 0 HB3 ASP C 39 -10.625 3.067 -16.091 1.00 0.00 H new ATOM 2239 N VAL C 40 -9.665 0.614 -13.388 1.00 0.00 N ATOM 2240 CA VAL C 40 -8.403 -0.062 -13.105 1.00 0.00 C ATOM 2241 C VAL C 40 -8.615 -1.106 -12.015 1.00 0.00 C ATOM 2242 O VAL C 40 -9.595 -1.046 -11.270 1.00 0.00 O ATOM 2243 CB VAL C 40 -7.303 0.931 -12.704 1.00 0.00 C ATOM 2244 CG1 VAL C 40 -7.137 2.021 -13.763 1.00 0.00 C ATOM 2245 CG2 VAL C 40 -7.585 1.602 -11.363 1.00 0.00 C ATOM 0 H VAL C 40 -10.210 0.824 -12.552 1.00 0.00 H new ATOM 0 HA VAL C 40 -8.068 -0.557 -14.017 1.00 0.00 H new ATOM 0 HB VAL C 40 -6.387 0.346 -12.617 1.00 0.00 H new ATOM 0 HG11 VAL C 40 -6.352 2.711 -13.455 1.00 0.00 H new ATOM 0 HG12 VAL C 40 -6.866 1.565 -14.715 1.00 0.00 H new ATOM 0 HG13 VAL C 40 -8.075 2.565 -13.875 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -6.777 2.294 -11.126 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -8.526 2.148 -11.420 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -7.653 0.843 -10.584 1.00 0.00 H new ATOM 2255 N ALA C 41 -7.691 -2.065 -11.919 1.00 0.00 N ATOM 2256 CA ALA C 41 -7.814 -3.169 -10.981 1.00 0.00 C ATOM 2257 C ALA C 41 -6.951 -2.954 -9.740 1.00 0.00 C ATOM 2258 O ALA C 41 -5.980 -2.199 -9.771 1.00 0.00 O ATOM 2259 CB ALA C 41 -7.401 -4.456 -11.704 1.00 0.00 C ATOM 0 H ALA C 41 -6.845 -2.093 -12.487 1.00 0.00 H new ATOM 0 HA ALA C 41 -8.847 -3.237 -10.639 1.00 0.00 H new ATOM 0 HB1 ALA C 41 -7.485 -5.301 -11.020 1.00 0.00 H new ATOM 0 HB2 ALA C 41 -8.054 -4.617 -12.561 1.00 0.00 H new ATOM 0 HB3 ALA C 41 -6.370 -4.367 -12.045 1.00 0.00 H new ATOM 2265 N VAL C 42 -7.310 -3.623 -8.640 1.00 0.00 N ATOM 2266 CA VAL C 42 -6.503 -3.627 -7.422 1.00 0.00 C ATOM 2267 C VAL C 42 -6.783 -4.913 -6.647 1.00 0.00 C ATOM 2268 O VAL C 42 -7.941 -5.257 -6.423 1.00 0.00 O ATOM 2269 CB VAL C 42 -6.819 -2.369 -6.593 1.00 0.00 C ATOM 2270 CG1 VAL C 42 -8.319 -2.140 -6.417 1.00 0.00 C ATOM 2271 CG2 VAL C 42 -6.193 -2.434 -5.207 1.00 0.00 C ATOM 0 H VAL C 42 -8.165 -4.174 -8.572 1.00 0.00 H new ATOM 0 HA VAL C 42 -5.440 -3.602 -7.662 1.00 0.00 H new ATOM 0 HB VAL C 42 -6.393 -1.542 -7.161 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -8.483 -1.240 -5.825 1.00 0.00 H new ATOM 0 HG12 VAL C 42 -8.786 -2.021 -7.395 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -8.760 -2.996 -5.906 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -6.439 -1.528 -4.654 1.00 0.00 H new ATOM 0 HG22 VAL C 42 -6.580 -3.302 -4.673 1.00 0.00 H new ATOM 0 HG23 VAL C 42 -5.110 -2.519 -5.300 1.00 0.00 H new ATOM 2281 N HIS C 43 -5.732 -5.633 -6.240 1.00 0.00 N ATOM 2282 CA HIS C 43 -5.885 -6.941 -5.608 1.00 0.00 C ATOM 2283 C HIS C 43 -4.672 -7.312 -4.762 1.00 0.00 C ATOM 2284 O HIS C 43 -3.645 -6.633 -4.793 1.00 0.00 O ATOM 2285 CB HIS C 43 -6.026 -8.013 -6.695 1.00 0.00 C ATOM 2286 CG HIS C 43 -7.136 -7.765 -7.677 1.00 0.00 C ATOM 2287 ND1 HIS C 43 -8.478 -8.098 -7.485 1.00 0.00 N ATOM 2288 CD2 HIS C 43 -6.988 -7.176 -8.901 1.00 0.00 C ATOM 2289 CE1 HIS C 43 -9.110 -7.689 -8.595 1.00 0.00 C ATOM 2290 NE2 HIS C 43 -8.241 -7.137 -9.464 1.00 0.00 N ATOM 0 H HIS C 43 -4.764 -5.327 -6.339 1.00 0.00 H new ATOM 0 HA HIS C 43 -6.766 -6.890 -4.968 1.00 0.00 H new ATOM 0 HB2 HIS C 43 -5.085 -8.085 -7.241 1.00 0.00 H new ATOM 0 HB3 HIS C 43 -6.191 -8.978 -6.216 1.00 0.00 H new ATOM 0 HD1 HIS C 43 -8.891 -8.556 -6.672 1.00 0.00 H new ATOM 0 HD2 HIS C 43 -6.070 -6.813 -9.339 1.00 0.00 H new ATOM 0 HE1 HIS C 43 -10.171 -7.789 -8.769 1.00 0.00 H new ATOM 2298 N ARG C 44 -4.793 -8.408 -3.999 1.00 0.00 N ATOM 2299 CA ARG C 44 -3.659 -8.999 -3.311 1.00 0.00 C ATOM 2300 C ARG C 44 -2.774 -9.690 -4.342 1.00 0.00 C ATOM 2301 O ARG C 44 -3.218 -9.964 -5.453 1.00 0.00 O ATOM 2302 CB ARG C 44 -4.123 -10.015 -2.263 1.00 0.00 C ATOM 2303 CG ARG C 44 -5.124 -9.386 -1.294 1.00 0.00 C ATOM 2304 CD ARG C 44 -5.358 -10.277 -0.071 1.00 0.00 C ATOM 2305 NE ARG C 44 -5.702 -11.665 -0.419 1.00 0.00 N ATOM 2306 CZ ARG C 44 -6.881 -12.071 -0.893 1.00 0.00 C ATOM 2307 NH1 ARG C 44 -7.856 -11.208 -1.154 1.00 0.00 N ATOM 2308 NH2 ARG C 44 -7.090 -13.365 -1.109 1.00 0.00 N ATOM 0 H ARG C 44 -5.675 -8.898 -3.849 1.00 0.00 H new ATOM 0 HA ARG C 44 -3.103 -8.215 -2.796 1.00 0.00 H new ATOM 0 HB2 ARG C 44 -4.581 -10.871 -2.759 1.00 0.00 H new ATOM 0 HB3 ARG C 44 -3.262 -10.390 -1.709 1.00 0.00 H new ATOM 0 HG2 ARG C 44 -4.756 -8.412 -0.971 1.00 0.00 H new ATOM 0 HG3 ARG C 44 -6.070 -9.215 -1.807 1.00 0.00 H new ATOM 0 HD2 ARG C 44 -4.460 -10.277 0.547 1.00 0.00 H new ATOM 0 HD3 ARG C 44 -6.160 -9.851 0.532 1.00 0.00 H new ATOM 0 HE ARG C 44 -4.981 -12.374 -0.287 1.00 0.00 H new ATOM 0 HH11 ARG C 44 -7.712 -10.211 -0.993 1.00 0.00 H new ATOM 0 HH12 ARG C 44 -8.749 -11.542 -1.516 1.00 0.00 H new ATOM 0 HH21 ARG C 44 -6.352 -14.041 -0.913 1.00 0.00 H new ATOM 0 HH22 ARG C 44 -7.989 -13.683 -1.471 1.00 0.00 H new ATOM 2322 N GLU C 45 -1.521 -9.980 -3.990 1.00 0.00 N ATOM 2323 CA GLU C 45 -0.599 -10.623 -4.916 1.00 0.00 C ATOM 2324 C GLU C 45 -1.111 -12.011 -5.317 1.00 0.00 C ATOM 2325 O GLU C 45 -0.907 -12.448 -6.446 1.00 0.00 O ATOM 2326 CB GLU C 45 0.771 -10.691 -4.238 1.00 0.00 C ATOM 2327 CG GLU C 45 1.921 -10.818 -5.235 1.00 0.00 C ATOM 2328 CD GLU C 45 1.966 -12.168 -5.935 1.00 0.00 C ATOM 2329 OE1 GLU C 45 1.893 -13.197 -5.226 1.00 0.00 O ATOM 2330 OE2 GLU C 45 2.080 -12.156 -7.184 1.00 0.00 O ATOM 0 H GLU C 45 -1.125 -9.779 -3.072 1.00 0.00 H new ATOM 0 HA GLU C 45 -0.518 -10.049 -5.839 1.00 0.00 H new ATOM 0 HB2 GLU C 45 0.917 -9.795 -3.634 1.00 0.00 H new ATOM 0 HB3 GLU C 45 0.792 -11.541 -3.556 1.00 0.00 H new ATOM 0 HG2 GLU C 45 1.831 -10.031 -5.984 1.00 0.00 H new ATOM 0 HG3 GLU C 45 2.864 -10.656 -4.713 1.00 0.00 H new ATOM 2337 N GLU C 46 -1.776 -12.707 -4.387 1.00 0.00 N ATOM 2338 CA GLU C 46 -2.304 -14.048 -4.629 1.00 0.00 C ATOM 2339 C GLU C 46 -3.614 -14.035 -5.425 1.00 0.00 C ATOM 2340 O GLU C 46 -4.078 -15.091 -5.850 1.00 0.00 O ATOM 2341 CB GLU C 46 -2.491 -14.781 -3.299 1.00 0.00 C ATOM 2342 CG GLU C 46 -3.485 -14.072 -2.375 1.00 0.00 C ATOM 2343 CD GLU C 46 -3.659 -14.801 -1.043 1.00 0.00 C ATOM 2344 OE1 GLU C 46 -2.767 -15.603 -0.688 1.00 0.00 O ATOM 2345 OE2 GLU C 46 -4.691 -14.549 -0.381 1.00 0.00 O ATOM 0 H GLU C 46 -1.961 -12.354 -3.448 1.00 0.00 H new ATOM 0 HA GLU C 46 -1.574 -14.578 -5.241 1.00 0.00 H new ATOM 0 HB2 GLU C 46 -2.839 -15.796 -3.493 1.00 0.00 H new ATOM 0 HB3 GLU C 46 -1.528 -14.865 -2.795 1.00 0.00 H new ATOM 0 HG2 GLU C 46 -3.142 -13.055 -2.188 1.00 0.00 H new ATOM 0 HG3 GLU C 46 -4.451 -13.996 -2.874 1.00 0.00 H new ATOM 2352 N ILE C 47 -4.216 -12.857 -5.625 1.00 0.00 N ATOM 2353 CA ILE C 47 -5.443 -12.704 -6.396 1.00 0.00 C ATOM 2354 C ILE C 47 -5.127 -12.063 -7.739 1.00 0.00 C ATOM 2355 O ILE C 47 -5.788 -12.360 -8.730 1.00 0.00 O ATOM 2356 CB ILE C 47 -6.443 -11.872 -5.586 1.00 0.00 C ATOM 2357 CG1 ILE C 47 -6.916 -12.642 -4.343 1.00 0.00 C ATOM 2358 CG2 ILE C 47 -7.653 -11.486 -6.433 1.00 0.00 C ATOM 2359 CD1 ILE C 47 -7.507 -14.017 -4.668 1.00 0.00 C ATOM 0 H ILE C 47 -3.857 -11.979 -5.250 1.00 0.00 H new ATOM 0 HA ILE C 47 -5.893 -13.677 -6.594 1.00 0.00 H new ATOM 0 HB ILE C 47 -5.929 -10.964 -5.271 1.00 0.00 H new ATOM 0 HG12 ILE C 47 -6.075 -12.768 -3.661 1.00 0.00 H new ATOM 0 HG13 ILE C 47 -7.665 -12.047 -3.819 1.00 0.00 H new ATOM 0 HG21 ILE C 47 -8.345 -10.896 -5.832 1.00 0.00 H new ATOM 0 HG22 ILE C 47 -7.325 -10.898 -7.290 1.00 0.00 H new ATOM 0 HG23 ILE C 47 -8.155 -12.388 -6.783 1.00 0.00 H new ATOM 0 HD11 ILE C 47 -7.820 -14.506 -3.745 1.00 0.00 H new ATOM 0 HD12 ILE C 47 -8.368 -13.897 -5.326 1.00 0.00 H new ATOM 0 HD13 ILE C 47 -6.754 -14.629 -5.165 1.00 0.00 H new ATOM 2371 N TYR C 48 -4.120 -11.186 -7.791 1.00 0.00 N ATOM 2372 CA TYR C 48 -3.744 -10.522 -9.026 1.00 0.00 C ATOM 2373 C TYR C 48 -3.415 -11.535 -10.117 1.00 0.00 C ATOM 2374 O TYR C 48 -3.811 -11.352 -11.267 1.00 0.00 O ATOM 2375 CB TYR C 48 -2.526 -9.643 -8.754 1.00 0.00 C ATOM 2376 CG TYR C 48 -1.842 -9.175 -10.019 1.00 0.00 C ATOM 2377 CD1 TYR C 48 -2.587 -8.620 -11.069 1.00 0.00 C ATOM 2378 CD2 TYR C 48 -0.456 -9.314 -10.133 1.00 0.00 C ATOM 2379 CE1 TYR C 48 -1.950 -8.229 -12.254 1.00 0.00 C ATOM 2380 CE2 TYR C 48 0.193 -8.915 -11.308 1.00 0.00 C ATOM 2381 CZ TYR C 48 -0.552 -8.372 -12.376 1.00 0.00 C ATOM 2382 OH TYR C 48 0.083 -7.992 -13.522 1.00 0.00 O ATOM 0 H TYR C 48 -3.553 -10.924 -6.984 1.00 0.00 H new ATOM 0 HA TYR C 48 -4.581 -9.916 -9.374 1.00 0.00 H new ATOM 0 HB2 TYR C 48 -2.834 -8.775 -8.171 1.00 0.00 H new ATOM 0 HB3 TYR C 48 -1.812 -10.198 -8.146 1.00 0.00 H new ATOM 0 HD1 TYR C 48 -3.654 -8.494 -10.964 1.00 0.00 H new ATOM 0 HD2 TYR C 48 0.114 -9.729 -9.315 1.00 0.00 H new ATOM 0 HE1 TYR C 48 -2.527 -7.820 -13.070 1.00 0.00 H new ATOM 0 HE2 TYR C 48 1.264 -9.023 -11.397 1.00 0.00 H new ATOM 0 HH TYR C 48 1.045 -8.159 -13.434 1.00 0.00 H new ATOM 2392 N GLN C 49 -2.695 -12.608 -9.770 1.00 0.00 N ATOM 2393 CA GLN C 49 -2.316 -13.616 -10.751 1.00 0.00 C ATOM 2394 C GLN C 49 -3.542 -14.309 -11.336 1.00 0.00 C ATOM 2395 O GLN C 49 -3.468 -14.883 -12.418 1.00 0.00 O ATOM 2396 CB GLN C 49 -1.411 -14.658 -10.093 1.00 0.00 C ATOM 2397 CG GLN C 49 -0.096 -14.043 -9.618 1.00 0.00 C ATOM 2398 CD GLN C 49 0.789 -15.091 -8.954 1.00 0.00 C ATOM 2399 OE1 GLN C 49 0.758 -16.266 -9.310 1.00 0.00 O ATOM 2400 NE2 GLN C 49 1.586 -14.675 -7.979 1.00 0.00 N ATOM 0 H GLN C 49 -2.368 -12.795 -8.822 1.00 0.00 H new ATOM 0 HA GLN C 49 -1.785 -13.117 -11.561 1.00 0.00 H new ATOM 0 HB2 GLN C 49 -1.929 -15.108 -9.246 1.00 0.00 H new ATOM 0 HB3 GLN C 49 -1.203 -15.459 -10.802 1.00 0.00 H new ATOM 0 HG2 GLN C 49 0.430 -13.602 -10.465 1.00 0.00 H new ATOM 0 HG3 GLN C 49 -0.301 -13.236 -8.914 1.00 0.00 H new ATOM 0 HE21 GLN C 49 1.588 -13.692 -7.707 1.00 0.00 H new ATOM 0 HE22 GLN C 49 2.197 -15.338 -7.502 1.00 0.00 H new ATOM 2409 N ARG C 50 -4.675 -14.257 -10.625 1.00 0.00 N ATOM 2410 CA ARG C 50 -5.892 -14.919 -11.057 1.00 0.00 C ATOM 2411 C ARG C 50 -6.677 -14.053 -12.035 1.00 0.00 C ATOM 2412 O ARG C 50 -7.274 -14.585 -12.965 1.00 0.00 O ATOM 2413 CB ARG C 50 -6.724 -15.263 -9.823 1.00 0.00 C ATOM 2414 CG ARG C 50 -7.953 -16.067 -10.238 1.00 0.00 C ATOM 2415 CD ARG C 50 -8.702 -16.513 -8.988 1.00 0.00 C ATOM 2416 NE ARG C 50 -7.960 -17.538 -8.249 1.00 0.00 N ATOM 2417 CZ ARG C 50 -7.980 -18.844 -8.537 1.00 0.00 C ATOM 2418 NH1 ARG C 50 -8.701 -19.314 -9.552 1.00 0.00 N ATOM 2419 NH2 ARG C 50 -7.267 -19.688 -7.799 1.00 0.00 N ATOM 0 H ARG C 50 -4.765 -13.756 -9.741 1.00 0.00 H new ATOM 0 HA ARG C 50 -5.638 -15.836 -11.589 1.00 0.00 H new ATOM 0 HB2 ARG C 50 -6.124 -15.837 -9.117 1.00 0.00 H new ATOM 0 HB3 ARG C 50 -7.030 -14.350 -9.313 1.00 0.00 H new ATOM 0 HG2 ARG C 50 -8.603 -15.461 -10.870 1.00 0.00 H new ATOM 0 HG3 ARG C 50 -7.654 -16.934 -10.827 1.00 0.00 H new ATOM 0 HD2 ARG C 50 -8.876 -15.653 -8.342 1.00 0.00 H new ATOM 0 HD3 ARG C 50 -9.680 -16.903 -9.269 1.00 0.00 H new ATOM 0 HE ARG C 50 -7.389 -17.235 -7.460 1.00 0.00 H new ATOM 0 HH11 ARG C 50 -9.251 -18.675 -10.126 1.00 0.00 H new ATOM 0 HH12 ARG C 50 -8.704 -20.313 -9.756 1.00 0.00 H new ATOM 0 HH21 ARG C 50 -6.710 -19.338 -7.019 1.00 0.00 H new ATOM 0 HH22 ARG C 50 -7.277 -20.685 -8.012 1.00 0.00 H new ATOM 2433 N ILE C 51 -6.684 -12.730 -11.848 1.00 0.00 N ATOM 2434 CA ILE C 51 -7.355 -11.837 -12.789 1.00 0.00 C ATOM 2435 C ILE C 51 -6.689 -11.955 -14.165 1.00 0.00 C ATOM 2436 O ILE C 51 -7.272 -11.572 -15.179 1.00 0.00 O ATOM 2437 CB ILE C 51 -7.382 -10.393 -12.260 1.00 0.00 C ATOM 2438 CG1 ILE C 51 -8.436 -10.224 -11.159 1.00 0.00 C ATOM 2439 CG2 ILE C 51 -7.768 -9.394 -13.356 1.00 0.00 C ATOM 2440 CD1 ILE C 51 -8.025 -10.857 -9.836 1.00 0.00 C ATOM 0 H ILE C 51 -6.237 -12.260 -11.061 1.00 0.00 H new ATOM 0 HA ILE C 51 -8.398 -12.135 -12.897 1.00 0.00 H new ATOM 0 HB ILE C 51 -6.376 -10.200 -11.888 1.00 0.00 H new ATOM 0 HG12 ILE C 51 -8.623 -9.162 -11.004 1.00 0.00 H new ATOM 0 HG13 ILE C 51 -9.374 -10.668 -11.491 1.00 0.00 H new ATOM 0 HG21 ILE C 51 -7.776 -8.385 -12.943 1.00 0.00 H new ATOM 0 HG22 ILE C 51 -7.044 -9.447 -14.169 1.00 0.00 H new ATOM 0 HG23 ILE C 51 -8.760 -9.637 -13.737 1.00 0.00 H new ATOM 0 HD11 ILE C 51 -8.813 -10.703 -9.099 1.00 0.00 H new ATOM 0 HD12 ILE C 51 -7.865 -11.926 -9.978 1.00 0.00 H new ATOM 0 HD13 ILE C 51 -7.103 -10.396 -9.483 1.00 0.00 H new