USER MOD reduce.3.24.130724 H: found=0, std=0, add=1013, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 1011 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 Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN :FLIP amide:sc= -1.19 F(o=-3.8!,f=-1.2) USER MOD Single : A 13 ASN :FLIP amide:sc= -2.58! C(o=-4.5!,f=-2.6!) USER MOD Single : A 15 ASN : amide:sc= -1.46! C(o=-1.5!,f=-5.3!) USER MOD Single : A 16 ASN : amide:sc= -14.6! C(o=-15!,f=-26!) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.842 USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.473 K(o=-0.47,f=-1.9!) USER MOD Single : A 32 LYS NZ :NH3+ 163:sc= -0.036 (180deg=-0.495) USER MOD Single : A 39 LYS NZ :NH3+ -109:sc= -0.0992 (180deg=-0.993) USER MOD Single : A 42 MET CE :methyl 152:sc= -0.23 (180deg=-0.917) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.172 USER MOD Single : A 48 GLN :FLIP amide:sc= 0.0119 F(o=-0.62,f=0.012) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0.0071) USER MOD Single : A 61 THR OG1 : rot 13:sc= 0.0324 USER MOD Single : A 63 GLN : amide:sc= -3.34! C(o=-3.3!,f=-7.5!) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 152:sc= 1.51 (180deg=0.346) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.029) USER MOD Single : A 81 THR OG1 : rot 74:sc= -1.35! USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= -0.846 (180deg=-0.846) USER MOD Single : A 100 GLN : amide:sc= -2.89! C(o=-2.9!,f=-3.6!) USER MOD Single : A 105 MET CE :methyl -145:sc= -1.41 (180deg=-3.95!) USER MOD Single : A 106 SER OG : rot -66:sc= 1.12 USER MOD Single : A 111 ASN : amide:sc= 0.183 X(o=0.18,f=0) USER MOD Single : A 119 ASN :FLIP amide:sc= -0.713 F(o=-4.4!,f=-0.71) USER MOD Single : A 125 LYS NZ :NH3+ 152:sc= -0.0649 (180deg=-1) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 42 N LYS A 3 14.560 11.478 4.047 1.00 0.00 N ATOM 43 CA LYS A 3 13.664 10.909 3.019 1.00 0.00 C ATOM 44 C LYS A 3 13.400 9.434 3.319 1.00 0.00 C ATOM 45 O LYS A 3 14.209 8.753 3.917 1.00 0.00 O ATOM 46 CB LYS A 3 14.298 11.040 1.633 1.00 0.00 C ATOM 47 CG LYS A 3 13.504 10.184 0.644 1.00 0.00 C ATOM 48 CD LYS A 3 14.055 10.373 -0.769 1.00 0.00 C ATOM 49 CE LYS A 3 13.983 9.041 -1.521 1.00 0.00 C ATOM 50 NZ LYS A 3 15.016 9.019 -2.593 1.00 0.00 N ATOM 0 HA LYS A 3 12.722 11.458 3.035 1.00 0.00 H new ATOM 0 HB2 LYS A 3 14.297 12.083 1.315 1.00 0.00 H new ATOM 0 HB3 LYS A 3 15.338 10.716 1.662 1.00 0.00 H new ATOM 0 HG2 LYS A 3 13.564 9.134 0.929 1.00 0.00 H new ATOM 0 HG3 LYS A 3 12.451 10.463 0.673 1.00 0.00 H new ATOM 0 HD2 LYS A 3 13.480 11.134 -1.297 1.00 0.00 H new ATOM 0 HD3 LYS A 3 15.086 10.725 -0.726 1.00 0.00 H new ATOM 0 HE2 LYS A 3 14.142 8.213 -0.831 1.00 0.00 H new ATOM 0 HE3 LYS A 3 12.991 8.909 -1.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 14.967 8.114 -3.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 14.844 9.801 -3.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 15.959 9.126 -2.168 1.00 0.00 H new ATOM 64 N LEU A 4 12.273 8.935 2.893 1.00 0.00 N ATOM 65 CA LEU A 4 11.952 7.504 3.135 1.00 0.00 C ATOM 66 C LEU A 4 10.903 7.053 2.115 1.00 0.00 C ATOM 67 O LEU A 4 10.101 7.836 1.645 1.00 0.00 O ATOM 68 CB LEU A 4 11.464 7.329 4.598 1.00 0.00 C ATOM 69 CG LEU A 4 9.965 7.008 4.707 1.00 0.00 C ATOM 70 CD1 LEU A 4 9.128 8.052 3.979 1.00 0.00 C ATOM 71 CD2 LEU A 4 9.685 5.613 4.144 1.00 0.00 C ATOM 0 H LEU A 4 11.560 9.459 2.386 1.00 0.00 H new ATOM 0 HA LEU A 4 12.835 6.878 3.007 1.00 0.00 H new ATOM 0 HB2 LEU A 4 12.035 6.529 5.070 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.674 8.242 5.155 1.00 0.00 H new ATOM 0 HG LEU A 4 9.686 7.028 5.760 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.071 7.801 4.072 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.308 9.033 4.418 1.00 0.00 H new ATOM 0 HD13 LEU A 4 9.405 8.070 2.925 1.00 0.00 H new ATOM 0 HD21 LEU A 4 8.620 5.395 4.226 1.00 0.00 H new ATOM 0 HD22 LEU A 4 9.984 5.577 3.096 1.00 0.00 H new ATOM 0 HD23 LEU A 4 10.252 4.872 4.708 1.00 0.00 H new ATOM 83 N GLN A 5 10.905 5.802 1.763 1.00 0.00 N ATOM 84 CA GLN A 5 9.904 5.314 0.777 1.00 0.00 C ATOM 85 C GLN A 5 9.080 4.203 1.408 1.00 0.00 C ATOM 86 O GLN A 5 9.464 3.611 2.397 1.00 0.00 O ATOM 87 CB GLN A 5 10.610 4.780 -0.467 1.00 0.00 C ATOM 88 CG GLN A 5 11.326 5.935 -1.164 1.00 0.00 C ATOM 89 CD GLN A 5 12.835 5.817 -0.932 1.00 0.00 C ATOM 90 OE1 GLN A 5 13.367 6.373 0.122 1.00 0.00 O flip ATOM 91 NE2 GLN A 5 13.536 5.210 -1.718 1.00 0.00 N flip ATOM 0 H GLN A 5 11.554 5.097 2.113 1.00 0.00 H new ATOM 0 HA GLN A 5 9.253 6.139 0.488 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.325 4.005 -0.191 1.00 0.00 H new ATOM 0 HB3 GLN A 5 9.888 4.322 -1.143 1.00 0.00 H new ATOM 0 HG2 GLN A 5 11.110 5.919 -2.232 1.00 0.00 H new ATOM 0 HG3 GLN A 5 10.962 6.888 -0.779 1.00 0.00 H new ATOM 0 HE21 GLN A 5 13.120 4.775 -2.542 1.00 0.00 H new ATOM 0 HE22 GLN A 5 14.540 5.135 -1.554 1.00 0.00 H new ATOM 100 N ILE A 6 7.947 3.915 0.849 1.00 0.00 N ATOM 101 CA ILE A 6 7.103 2.846 1.424 1.00 0.00 C ATOM 102 C ILE A 6 6.805 1.807 0.348 1.00 0.00 C ATOM 103 O ILE A 6 6.146 2.082 -0.634 1.00 0.00 O ATOM 104 CB ILE A 6 5.813 3.469 1.963 1.00 0.00 C ATOM 105 CG1 ILE A 6 6.094 3.994 3.380 1.00 0.00 C ATOM 106 CG2 ILE A 6 4.689 2.429 1.992 1.00 0.00 C ATOM 107 CD1 ILE A 6 4.919 3.697 4.331 1.00 0.00 C ATOM 0 H ILE A 6 7.569 4.373 0.020 1.00 0.00 H new ATOM 0 HA ILE A 6 7.620 2.349 2.245 1.00 0.00 H new ATOM 0 HB ILE A 6 5.493 4.286 1.317 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.003 3.533 3.767 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.272 5.069 3.343 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.779 2.888 2.378 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.509 2.059 0.983 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.978 1.599 2.636 1.00 0.00 H new ATOM 0 HD11 ILE A 6 5.149 4.081 5.325 1.00 0.00 H new ATOM 0 HD12 ILE A 6 4.016 4.179 3.956 1.00 0.00 H new ATOM 0 HD13 ILE A 6 4.759 2.620 4.386 1.00 0.00 H new ATOM 119 N ALA A 7 7.292 0.614 0.532 1.00 0.00 N ATOM 120 CA ALA A 7 7.045 -0.455 -0.466 1.00 0.00 C ATOM 121 C ALA A 7 5.691 -1.094 -0.180 1.00 0.00 C ATOM 122 O ALA A 7 5.605 -2.258 0.162 1.00 0.00 O ATOM 123 CB ALA A 7 8.137 -1.517 -0.353 1.00 0.00 C ATOM 0 H ALA A 7 7.854 0.334 1.336 1.00 0.00 H new ATOM 0 HA ALA A 7 7.052 -0.032 -1.470 1.00 0.00 H new ATOM 0 HB1 ALA A 7 7.957 -2.303 -1.086 1.00 0.00 H new ATOM 0 HB2 ALA A 7 9.109 -1.061 -0.542 1.00 0.00 H new ATOM 0 HB3 ALA A 7 8.126 -1.945 0.649 1.00 0.00 H new ATOM 129 N VAL A 8 4.629 -0.349 -0.308 1.00 0.00 N ATOM 130 CA VAL A 8 3.293 -0.941 -0.031 1.00 0.00 C ATOM 131 C VAL A 8 2.849 -1.767 -1.238 1.00 0.00 C ATOM 132 O VAL A 8 2.937 -2.977 -1.237 1.00 0.00 O ATOM 133 CB VAL A 8 2.253 0.160 0.275 1.00 0.00 C ATOM 134 CG1 VAL A 8 2.505 1.400 -0.589 1.00 0.00 C ATOM 135 CG2 VAL A 8 0.835 -0.374 0.004 1.00 0.00 C ATOM 0 H VAL A 8 4.628 0.632 -0.589 1.00 0.00 H new ATOM 0 HA VAL A 8 3.367 -1.584 0.846 1.00 0.00 H new ATOM 0 HB VAL A 8 2.347 0.440 1.324 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.761 2.162 -0.357 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.502 1.791 -0.383 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.432 1.130 -1.643 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.105 0.406 0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.751 -0.669 -1.042 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.644 -1.238 0.641 1.00 0.00 H new ATOM 145 N GLY A 9 2.353 -1.138 -2.259 1.00 0.00 N ATOM 146 CA GLY A 9 1.887 -1.917 -3.426 1.00 0.00 C ATOM 147 C GLY A 9 0.579 -2.580 -3.034 1.00 0.00 C ATOM 148 O GLY A 9 0.545 -3.707 -2.580 1.00 0.00 O ATOM 0 H GLY A 9 2.251 -0.126 -2.335 1.00 0.00 H new ATOM 0 HA2 GLY A 9 1.745 -1.267 -4.290 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.627 -2.665 -3.709 1.00 0.00 H new ATOM 152 N ILE A 10 -0.499 -1.874 -3.190 1.00 0.00 N ATOM 153 CA ILE A 10 -1.814 -2.450 -2.807 1.00 0.00 C ATOM 154 C ILE A 10 -1.904 -3.823 -3.438 1.00 0.00 C ATOM 155 O ILE A 10 -1.075 -4.197 -4.244 1.00 0.00 O ATOM 156 CB ILE A 10 -2.994 -1.577 -3.275 1.00 0.00 C ATOM 157 CG1 ILE A 10 -2.504 -0.205 -3.758 1.00 0.00 C ATOM 158 CG2 ILE A 10 -3.959 -1.377 -2.095 1.00 0.00 C ATOM 159 CD1 ILE A 10 -3.684 0.589 -4.317 1.00 0.00 C ATOM 0 H ILE A 10 -0.529 -0.926 -3.565 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.880 -2.503 -1.720 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.495 -2.078 -4.103 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.043 0.339 -2.934 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.739 -0.329 -4.525 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.800 -0.760 -2.413 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.327 -2.346 -1.758 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.435 -0.883 -1.277 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.337 1.564 -4.660 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.125 0.046 -5.153 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.433 0.725 -3.537 1.00 0.00 H new ATOM 171 N ILE A 11 -2.872 -4.594 -3.073 1.00 0.00 N ATOM 172 CA ILE A 11 -2.954 -5.947 -3.654 1.00 0.00 C ATOM 173 C ILE A 11 -4.405 -6.285 -4.009 1.00 0.00 C ATOM 174 O ILE A 11 -5.070 -7.021 -3.318 1.00 0.00 O ATOM 175 CB ILE A 11 -2.384 -6.935 -2.630 1.00 0.00 C ATOM 176 CG1 ILE A 11 -2.976 -6.638 -1.253 1.00 0.00 C ATOM 177 CG2 ILE A 11 -0.864 -6.758 -2.556 1.00 0.00 C ATOM 178 CD1 ILE A 11 -2.365 -7.583 -0.216 1.00 0.00 C ATOM 0 H ILE A 11 -3.604 -4.351 -2.405 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.376 -6.005 -4.576 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.632 -7.953 -2.930 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.778 -5.602 -0.977 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.059 -6.760 -1.278 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.451 -7.458 -1.829 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.427 -6.952 -3.536 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.631 -5.738 -2.250 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.789 -7.369 0.765 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.585 -8.615 -0.490 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.285 -7.439 -0.184 1.00 0.00 H new ATOM 190 N ARG A 12 -4.892 -5.766 -5.107 1.00 0.00 N ATOM 191 CA ARG A 12 -6.293 -6.088 -5.526 1.00 0.00 C ATOM 192 C ARG A 12 -6.245 -7.433 -6.242 1.00 0.00 C ATOM 193 O ARG A 12 -5.329 -7.683 -6.996 1.00 0.00 O ATOM 194 CB ARG A 12 -6.845 -5.009 -6.477 1.00 0.00 C ATOM 195 CG ARG A 12 -5.698 -4.322 -7.229 1.00 0.00 C ATOM 196 CD ARG A 12 -6.253 -3.408 -8.333 1.00 0.00 C ATOM 197 NE ARG A 12 -6.743 -4.275 -9.451 1.00 0.00 N ATOM 198 CZ ARG A 12 -7.371 -3.760 -10.474 1.00 0.00 C ATOM 199 NH1 ARG A 12 -6.697 -3.133 -11.398 1.00 0.00 N ATOM 200 NH2 ARG A 12 -8.667 -3.889 -10.587 1.00 0.00 N ATOM 0 H ARG A 12 -4.385 -5.137 -5.729 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.949 -6.124 -4.656 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -7.536 -5.461 -7.189 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.411 -4.270 -5.910 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.096 -3.738 -6.533 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.040 -5.073 -7.666 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.064 -2.792 -7.945 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.479 -2.728 -8.689 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.584 -5.282 -9.413 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.684 -3.046 -11.320 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.183 -2.729 -12.199 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.193 -4.394 -9.874 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.152 -3.485 -11.388 1.00 0.00 H new ATOM 214 N ASN A 13 -7.172 -8.333 -6.014 1.00 0.00 N ATOM 215 CA ASN A 13 -7.026 -9.637 -6.715 1.00 0.00 C ATOM 216 C ASN A 13 -8.331 -10.449 -6.850 1.00 0.00 C ATOM 217 O ASN A 13 -8.315 -11.486 -7.427 1.00 0.00 O ATOM 218 CB ASN A 13 -5.964 -10.454 -5.970 1.00 0.00 C ATOM 219 CG ASN A 13 -6.613 -11.337 -4.896 1.00 0.00 C ATOM 220 OD1 ASN A 13 -7.176 -10.780 -3.860 1.00 0.00 O flip ATOM 221 ND2 ASN A 13 -6.605 -12.548 -5.004 1.00 0.00 N flip ATOM 0 H ASN A 13 -7.983 -8.228 -5.404 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.729 -9.421 -7.741 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.415 -11.077 -6.677 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -5.240 -9.783 -5.507 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -6.165 -12.985 -5.814 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -7.038 -13.127 -4.285 1.00 0.00 H new ATOM 228 N GLU A 14 -9.460 -10.022 -6.392 1.00 0.00 N ATOM 229 CA GLU A 14 -10.670 -10.893 -6.613 1.00 0.00 C ATOM 230 C GLU A 14 -11.325 -10.423 -7.909 1.00 0.00 C ATOM 231 O GLU A 14 -11.865 -11.180 -8.691 1.00 0.00 O ATOM 232 CB GLU A 14 -11.651 -10.727 -5.450 1.00 0.00 C ATOM 233 CG GLU A 14 -12.808 -11.714 -5.611 1.00 0.00 C ATOM 234 CD GLU A 14 -13.517 -11.894 -4.267 1.00 0.00 C ATOM 235 OE1 GLU A 14 -12.864 -12.313 -3.325 1.00 0.00 O ATOM 236 OE2 GLU A 14 -14.703 -11.612 -4.203 1.00 0.00 O ATOM 0 H GLU A 14 -9.615 -9.147 -5.892 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.387 -11.944 -6.674 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.141 -10.901 -4.503 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -12.031 -9.706 -5.425 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.511 -11.347 -6.359 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -12.434 -12.674 -5.968 1.00 0.00 H new ATOM 243 N ASN A 15 -11.199 -9.166 -8.125 1.00 0.00 N ATOM 244 CA ASN A 15 -11.690 -8.475 -9.344 1.00 0.00 C ATOM 245 C ASN A 15 -10.941 -7.163 -9.280 1.00 0.00 C ATOM 246 O ASN A 15 -10.270 -6.720 -10.192 1.00 0.00 O ATOM 247 CB ASN A 15 -13.200 -8.239 -9.261 1.00 0.00 C ATOM 248 CG ASN A 15 -13.634 -7.315 -10.401 1.00 0.00 C ATOM 249 OD1 ASN A 15 -12.819 -6.633 -10.989 1.00 0.00 O ATOM 250 ND2 ASN A 15 -14.892 -7.264 -10.739 1.00 0.00 N ATOM 0 H ASN A 15 -10.744 -8.537 -7.463 1.00 0.00 H new ATOM 0 HA ASN A 15 -11.529 -9.034 -10.266 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -13.732 -9.188 -9.325 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -13.457 -7.794 -8.300 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -15.192 -6.651 -11.497 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -15.576 -7.837 -10.245 1.00 0.00 H new ATOM 257 N ASN A 16 -11.021 -6.614 -8.110 1.00 0.00 N ATOM 258 CA ASN A 16 -10.320 -5.386 -7.732 1.00 0.00 C ATOM 259 C ASN A 16 -10.338 -5.402 -6.205 1.00 0.00 C ATOM 260 O ASN A 16 -10.536 -4.389 -5.564 1.00 0.00 O ATOM 261 CB ASN A 16 -11.055 -4.153 -8.264 1.00 0.00 C ATOM 262 CG ASN A 16 -10.184 -2.920 -8.031 1.00 0.00 C ATOM 263 OD1 ASN A 16 -9.045 -2.886 -8.436 1.00 0.00 O ATOM 264 ND2 ASN A 16 -10.673 -1.895 -7.394 1.00 0.00 N ATOM 0 H ASN A 16 -11.587 -7.003 -7.356 1.00 0.00 H new ATOM 0 HA ASN A 16 -9.311 -5.340 -8.142 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.267 -4.270 -9.327 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -12.014 -4.038 -7.759 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -10.096 -1.068 -7.239 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -11.633 -1.919 -7.050 1.00 0.00 H new ATOM 271 N GLU A 17 -10.189 -6.578 -5.609 1.00 0.00 N ATOM 272 CA GLU A 17 -10.264 -6.652 -4.117 1.00 0.00 C ATOM 273 C GLU A 17 -8.886 -6.464 -3.490 1.00 0.00 C ATOM 274 O GLU A 17 -8.075 -7.369 -3.451 1.00 0.00 O ATOM 275 CB GLU A 17 -10.849 -8.005 -3.707 1.00 0.00 C ATOM 276 CG GLU A 17 -12.372 -7.982 -3.891 1.00 0.00 C ATOM 277 CD GLU A 17 -12.735 -7.301 -5.216 1.00 0.00 C ATOM 278 OE1 GLU A 17 -12.679 -6.083 -5.267 1.00 0.00 O ATOM 279 OE2 GLU A 17 -13.063 -8.009 -6.153 1.00 0.00 O ATOM 0 H GLU A 17 -10.023 -7.464 -6.087 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.908 -5.849 -3.758 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.411 -8.800 -4.311 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.601 -8.220 -2.668 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.763 -9.000 -3.878 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.838 -7.451 -3.061 1.00 0.00 H new ATOM 286 N ILE A 18 -8.624 -5.287 -2.991 1.00 0.00 N ATOM 287 CA ILE A 18 -7.298 -5.016 -2.359 1.00 0.00 C ATOM 288 C ILE A 18 -7.335 -5.355 -0.873 1.00 0.00 C ATOM 289 O ILE A 18 -8.339 -5.219 -0.208 1.00 0.00 O ATOM 290 CB ILE A 18 -6.918 -3.534 -2.482 1.00 0.00 C ATOM 291 CG1 ILE A 18 -8.183 -2.671 -2.600 1.00 0.00 C ATOM 292 CG2 ILE A 18 -6.008 -3.321 -3.695 1.00 0.00 C ATOM 293 CD1 ILE A 18 -8.652 -2.605 -4.058 1.00 0.00 C ATOM 0 H ILE A 18 -9.271 -4.499 -2.993 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.566 -5.635 -2.878 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.376 -3.233 -1.585 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.974 -3.087 -1.976 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.981 -1.666 -2.231 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.745 -2.266 -3.772 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.101 -3.913 -3.578 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.530 -3.632 -4.600 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -9.549 -1.990 -4.124 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -7.866 -2.168 -4.674 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.875 -3.611 -4.414 1.00 0.00 H new ATOM 305 N PHE A 19 -6.217 -5.751 -0.350 1.00 0.00 N ATOM 306 CA PHE A 19 -6.113 -6.061 1.106 1.00 0.00 C ATOM 307 C PHE A 19 -5.889 -4.743 1.864 1.00 0.00 C ATOM 308 O PHE A 19 -5.062 -4.657 2.750 1.00 0.00 O ATOM 309 CB PHE A 19 -4.917 -6.988 1.331 1.00 0.00 C ATOM 310 CG PHE A 19 -4.939 -7.521 2.742 1.00 0.00 C ATOM 311 CD1 PHE A 19 -5.960 -8.388 3.148 1.00 0.00 C ATOM 312 CD2 PHE A 19 -3.933 -7.153 3.642 1.00 0.00 C ATOM 313 CE1 PHE A 19 -5.973 -8.889 4.454 1.00 0.00 C ATOM 314 CE2 PHE A 19 -3.947 -7.653 4.949 1.00 0.00 C ATOM 315 CZ PHE A 19 -4.966 -8.521 5.355 1.00 0.00 C ATOM 0 H PHE A 19 -5.351 -5.877 -0.875 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.021 -6.547 1.461 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.947 -7.814 0.620 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.988 -6.447 1.152 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.737 -8.670 2.453 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.146 -6.483 3.328 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.760 -9.560 4.767 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.171 -7.369 5.644 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.976 -8.907 6.363 1.00 0.00 H new ATOM 325 N ILE A 20 -6.590 -3.706 1.488 1.00 0.00 N ATOM 326 CA ILE A 20 -6.396 -2.380 2.138 1.00 0.00 C ATOM 327 C ILE A 20 -7.148 -2.288 3.456 1.00 0.00 C ATOM 328 O ILE A 20 -8.143 -2.948 3.681 1.00 0.00 O ATOM 329 CB ILE A 20 -6.915 -1.277 1.213 1.00 0.00 C ATOM 330 CG1 ILE A 20 -6.767 0.087 1.900 1.00 0.00 C ATOM 331 CG2 ILE A 20 -8.394 -1.522 0.912 1.00 0.00 C ATOM 332 CD1 ILE A 20 -5.292 0.379 2.184 1.00 0.00 C ATOM 0 H ILE A 20 -7.295 -3.723 0.751 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.330 -2.260 2.330 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.340 -1.286 0.287 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.184 0.869 1.266 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -7.333 0.096 2.832 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -8.766 -0.737 0.253 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -8.511 -2.490 0.425 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.961 -1.513 1.843 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.201 1.350 2.672 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.887 -0.394 2.837 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.736 0.390 1.246 1.00 0.00 H new ATOM 344 N THR A 21 -6.692 -1.423 4.308 1.00 0.00 N ATOM 345 CA THR A 21 -7.379 -1.217 5.611 1.00 0.00 C ATOM 346 C THR A 21 -8.772 -0.657 5.314 1.00 0.00 C ATOM 347 O THR A 21 -8.944 0.528 5.109 1.00 0.00 O ATOM 348 CB THR A 21 -6.580 -0.219 6.444 1.00 0.00 C ATOM 349 OG1 THR A 21 -7.392 0.275 7.499 1.00 0.00 O ATOM 350 CG2 THR A 21 -6.128 0.940 5.558 1.00 0.00 C ATOM 0 H THR A 21 -5.866 -0.843 4.159 1.00 0.00 H new ATOM 0 HA THR A 21 -7.459 -2.151 6.167 1.00 0.00 H new ATOM 0 HB THR A 21 -5.705 -0.715 6.863 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.878 0.915 8.035 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.557 1.652 6.154 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.502 0.559 4.751 1.00 0.00 H new ATOM 0 HG23 THR A 21 -7.001 1.437 5.136 1.00 0.00 H new ATOM 358 N ARG A 22 -9.760 -1.505 5.245 1.00 0.00 N ATOM 359 CA ARG A 22 -11.129 -1.027 4.911 1.00 0.00 C ATOM 360 C ARG A 22 -12.019 -0.999 6.153 1.00 0.00 C ATOM 361 O ARG A 22 -12.840 -1.873 6.348 1.00 0.00 O ATOM 362 CB ARG A 22 -11.746 -1.967 3.877 1.00 0.00 C ATOM 363 CG ARG A 22 -13.161 -1.493 3.554 1.00 0.00 C ATOM 364 CD ARG A 22 -13.095 -0.080 2.979 1.00 0.00 C ATOM 365 NE ARG A 22 -14.473 0.418 2.724 1.00 0.00 N ATOM 366 CZ ARG A 22 -14.678 1.690 2.538 1.00 0.00 C ATOM 367 NH1 ARG A 22 -14.209 2.552 3.395 1.00 0.00 N ATOM 368 NH2 ARG A 22 -15.348 2.099 1.495 1.00 0.00 N ATOM 0 H ARG A 22 -9.678 -2.509 5.406 1.00 0.00 H new ATOM 0 HA ARG A 22 -11.056 -0.015 4.514 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -11.138 -1.982 2.972 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -11.769 -2.986 4.262 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.630 -2.169 2.839 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.776 -1.505 4.454 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -12.580 0.583 3.674 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -12.520 -0.079 2.053 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.256 -0.236 2.695 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -13.684 2.229 4.208 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -14.367 3.550 3.253 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -15.712 1.422 0.825 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -15.508 3.096 1.350 1.00 0.00 H new ATOM 382 N ARG A 23 -11.870 0.014 6.969 1.00 0.00 N ATOM 383 CA ARG A 23 -12.704 0.155 8.210 1.00 0.00 C ATOM 384 C ARG A 23 -13.202 -1.211 8.685 1.00 0.00 C ATOM 385 O ARG A 23 -14.351 -1.559 8.494 1.00 0.00 O ATOM 386 CB ARG A 23 -13.913 1.068 7.938 1.00 0.00 C ATOM 387 CG ARG A 23 -14.089 1.299 6.432 1.00 0.00 C ATOM 388 CD ARG A 23 -15.442 1.967 6.171 1.00 0.00 C ATOM 389 NE ARG A 23 -16.203 1.173 5.166 1.00 0.00 N ATOM 390 CZ ARG A 23 -17.485 1.364 5.019 1.00 0.00 C ATOM 391 NH1 ARG A 23 -18.327 0.799 5.842 1.00 0.00 N ATOM 392 NH2 ARG A 23 -17.927 2.123 4.053 1.00 0.00 N ATOM 0 H ARG A 23 -11.194 0.765 6.828 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.080 0.597 8.987 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -14.816 0.617 8.350 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.775 2.024 8.444 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -13.283 1.927 6.053 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.031 0.350 5.899 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.009 2.038 7.099 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.293 2.984 5.809 1.00 0.00 H new ATOM 0 HE ARG A 23 -15.722 0.480 4.593 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -17.982 0.209 6.599 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -19.330 0.948 5.728 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -17.270 2.567 3.412 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -18.930 2.271 3.939 1.00 0.00 H new ATOM 406 N ALA A 24 -12.349 -1.986 9.298 1.00 0.00 N ATOM 407 CA ALA A 24 -12.778 -3.327 9.782 1.00 0.00 C ATOM 408 C ALA A 24 -14.160 -3.207 10.427 1.00 0.00 C ATOM 409 O ALA A 24 -15.064 -3.964 10.133 1.00 0.00 O ATOM 410 CB ALA A 24 -11.773 -3.841 10.813 1.00 0.00 C ATOM 0 H ALA A 24 -11.375 -1.748 9.484 1.00 0.00 H new ATOM 0 HA ALA A 24 -12.824 -4.025 8.946 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.086 -4.823 11.168 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.788 -3.919 10.353 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.728 -3.149 11.654 1.00 0.00 H new ATOM 416 N ALA A 25 -14.331 -2.249 11.295 1.00 0.00 N ATOM 417 CA ALA A 25 -15.655 -2.059 11.950 1.00 0.00 C ATOM 418 C ALA A 25 -16.574 -1.296 10.995 1.00 0.00 C ATOM 419 O ALA A 25 -16.120 -0.556 10.144 1.00 0.00 O ATOM 420 CB ALA A 25 -15.475 -1.254 13.239 1.00 0.00 C ATOM 0 H ALA A 25 -13.609 -1.588 11.580 1.00 0.00 H new ATOM 0 HA ALA A 25 -16.093 -3.028 12.190 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -16.444 -1.114 13.719 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -14.810 -1.792 13.914 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -15.043 -0.281 13.003 1.00 0.00 H new ATOM 426 N ASP A 26 -17.860 -1.464 11.123 1.00 0.00 N ATOM 427 CA ASP A 26 -18.795 -0.740 10.216 1.00 0.00 C ATOM 428 C ASP A 26 -18.640 0.768 10.434 1.00 0.00 C ATOM 429 O ASP A 26 -18.993 1.295 11.470 1.00 0.00 O ATOM 430 CB ASP A 26 -20.233 -1.164 10.521 1.00 0.00 C ATOM 431 CG ASP A 26 -20.780 -1.990 9.354 1.00 0.00 C ATOM 432 OD1 ASP A 26 -21.146 -1.396 8.354 1.00 0.00 O ATOM 433 OD2 ASP A 26 -20.823 -3.203 9.481 1.00 0.00 O ATOM 0 H ASP A 26 -18.304 -2.069 11.814 1.00 0.00 H new ATOM 0 HA ASP A 26 -18.564 -0.982 9.179 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -20.264 -1.749 11.440 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -20.856 -0.284 10.682 1.00 0.00 H new ATOM 438 N ALA A 27 -18.103 1.464 9.469 1.00 0.00 N ATOM 439 CA ALA A 27 -17.912 2.934 9.623 1.00 0.00 C ATOM 440 C ALA A 27 -19.029 3.686 8.896 1.00 0.00 C ATOM 441 O ALA A 27 -19.553 3.228 7.900 1.00 0.00 O ATOM 442 CB ALA A 27 -16.564 3.335 9.020 1.00 0.00 C ATOM 0 H ALA A 27 -17.788 1.077 8.579 1.00 0.00 H new ATOM 0 HA ALA A 27 -17.937 3.188 10.683 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -16.421 4.410 9.131 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -15.763 2.807 9.537 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -16.547 3.074 7.962 1.00 0.00 H new ATOM 448 N HIS A 28 -19.384 4.846 9.379 1.00 0.00 N ATOM 449 CA HIS A 28 -20.452 5.638 8.708 1.00 0.00 C ATOM 450 C HIS A 28 -19.853 6.317 7.476 1.00 0.00 C ATOM 451 O HIS A 28 -20.551 6.705 6.561 1.00 0.00 O ATOM 452 CB HIS A 28 -20.986 6.700 9.672 1.00 0.00 C ATOM 453 CG HIS A 28 -22.489 6.636 9.705 1.00 0.00 C ATOM 454 ND1 HIS A 28 -23.273 7.133 8.675 1.00 0.00 N ATOM 455 CD2 HIS A 28 -23.365 6.133 10.635 1.00 0.00 C ATOM 456 CE1 HIS A 28 -24.560 6.920 9.007 1.00 0.00 C ATOM 457 NE2 HIS A 28 -24.673 6.314 10.193 1.00 0.00 N ATOM 0 H HIS A 28 -18.980 5.279 10.210 1.00 0.00 H new ATOM 0 HA HIS A 28 -21.272 4.984 8.412 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -20.582 6.536 10.671 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -20.660 7.691 9.355 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -23.082 5.668 11.568 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -25.400 7.204 8.390 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -25.532 6.043 10.671 1.00 0.00 H new ATOM 465 N MET A 29 -18.554 6.455 7.451 1.00 0.00 N ATOM 466 CA MET A 29 -17.887 7.097 6.285 1.00 0.00 C ATOM 467 C MET A 29 -17.372 6.007 5.345 1.00 0.00 C ATOM 468 O MET A 29 -17.732 4.853 5.465 1.00 0.00 O ATOM 469 CB MET A 29 -16.714 7.950 6.776 1.00 0.00 C ATOM 470 CG MET A 29 -17.246 9.223 7.439 1.00 0.00 C ATOM 471 SD MET A 29 -17.950 8.816 9.057 1.00 0.00 S ATOM 472 CE MET A 29 -16.581 9.441 10.061 1.00 0.00 C ATOM 0 H MET A 29 -17.925 6.148 8.193 1.00 0.00 H new ATOM 0 HA MET A 29 -18.596 7.733 5.755 1.00 0.00 H new ATOM 0 HB2 MET A 29 -16.111 7.383 7.486 1.00 0.00 H new ATOM 0 HB3 MET A 29 -16.064 8.208 5.940 1.00 0.00 H new ATOM 0 HG2 MET A 29 -16.441 9.949 7.554 1.00 0.00 H new ATOM 0 HG3 MET A 29 -18.004 9.685 6.807 1.00 0.00 H new ATOM 0 HE1 MET A 29 -16.805 9.290 11.117 1.00 0.00 H new ATOM 0 HE2 MET A 29 -15.667 8.905 9.804 1.00 0.00 H new ATOM 0 HE3 MET A 29 -16.444 10.505 9.868 1.00 0.00 H new ATOM 482 N ALA A 30 -16.535 6.356 4.407 1.00 0.00 N ATOM 483 CA ALA A 30 -16.012 5.324 3.469 1.00 0.00 C ATOM 484 C ALA A 30 -14.683 5.782 2.867 1.00 0.00 C ATOM 485 O ALA A 30 -14.242 5.270 1.858 1.00 0.00 O ATOM 486 CB ALA A 30 -17.024 5.099 2.349 1.00 0.00 C ATOM 0 H ALA A 30 -16.193 7.304 4.250 1.00 0.00 H new ATOM 0 HA ALA A 30 -15.852 4.395 4.016 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -16.643 4.344 1.661 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -17.968 4.759 2.775 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -17.184 6.033 1.810 1.00 0.00 H new ATOM 492 N ASN A 31 -14.033 6.729 3.479 1.00 0.00 N ATOM 493 CA ASN A 31 -12.728 7.200 2.937 1.00 0.00 C ATOM 494 C ASN A 31 -11.596 6.540 3.728 1.00 0.00 C ATOM 495 O ASN A 31 -10.466 6.987 3.708 1.00 0.00 O ATOM 496 CB ASN A 31 -12.637 8.720 3.080 1.00 0.00 C ATOM 497 CG ASN A 31 -14.009 9.340 2.804 1.00 0.00 C ATOM 498 OD1 ASN A 31 -14.798 8.791 2.061 1.00 0.00 O ATOM 499 ND2 ASN A 31 -14.329 10.469 3.376 1.00 0.00 N ATOM 0 H ASN A 31 -14.347 7.197 4.329 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.645 6.933 1.883 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -12.302 8.982 4.084 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -11.899 9.118 2.384 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -15.241 10.890 3.199 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -13.667 10.930 4.000 1.00 0.00 H new ATOM 506 N LYS A 32 -11.898 5.484 4.437 1.00 0.00 N ATOM 507 CA LYS A 32 -10.850 4.798 5.247 1.00 0.00 C ATOM 508 C LYS A 32 -10.009 3.855 4.378 1.00 0.00 C ATOM 509 O LYS A 32 -9.645 2.776 4.802 1.00 0.00 O ATOM 510 CB LYS A 32 -11.516 3.994 6.363 1.00 0.00 C ATOM 511 CG LYS A 32 -10.570 3.918 7.562 1.00 0.00 C ATOM 512 CD LYS A 32 -10.250 2.456 7.870 1.00 0.00 C ATOM 513 CE LYS A 32 -9.255 2.376 9.028 1.00 0.00 C ATOM 514 NZ LYS A 32 -9.860 2.983 10.247 1.00 0.00 N ATOM 0 H LYS A 32 -12.827 5.067 4.490 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.192 5.557 5.670 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -12.455 4.464 6.655 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.757 2.991 6.011 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.651 4.465 7.349 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.028 4.391 8.430 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.164 1.920 8.126 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.834 1.972 6.987 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.988 1.337 9.221 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.335 2.899 8.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.326 2.682 11.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.829 4.020 10.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.848 2.672 10.336 1.00 0.00 H new ATOM 528 N LEU A 33 -9.684 4.245 3.178 1.00 0.00 N ATOM 529 CA LEU A 33 -8.857 3.355 2.313 1.00 0.00 C ATOM 530 C LEU A 33 -7.440 3.927 2.204 1.00 0.00 C ATOM 531 O LEU A 33 -7.152 4.738 1.347 1.00 0.00 O ATOM 532 CB LEU A 33 -9.493 3.265 0.926 1.00 0.00 C ATOM 533 CG LEU A 33 -10.706 2.340 0.988 1.00 0.00 C ATOM 534 CD1 LEU A 33 -11.239 2.115 -0.427 1.00 0.00 C ATOM 535 CD2 LEU A 33 -10.291 0.997 1.593 1.00 0.00 C ATOM 0 H LEU A 33 -9.952 5.136 2.759 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.807 2.357 2.749 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.794 4.256 0.586 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.769 2.886 0.205 1.00 0.00 H new ATOM 0 HG LEU A 33 -11.482 2.793 1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.106 1.455 -0.389 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.530 3.071 -0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.462 1.658 -1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.156 0.335 1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.518 0.542 0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.903 1.156 2.599 1.00 0.00 H new ATOM 547 N GLU A 34 -6.553 3.513 3.070 1.00 0.00 N ATOM 548 CA GLU A 34 -5.159 4.037 3.024 1.00 0.00 C ATOM 549 C GLU A 34 -4.304 3.126 2.136 1.00 0.00 C ATOM 550 O GLU A 34 -4.667 2.828 1.016 1.00 0.00 O ATOM 551 CB GLU A 34 -4.595 4.081 4.448 1.00 0.00 C ATOM 552 CG GLU A 34 -3.370 4.998 4.484 1.00 0.00 C ATOM 553 CD GLU A 34 -2.596 4.770 5.784 1.00 0.00 C ATOM 554 OE1 GLU A 34 -2.997 3.905 6.545 1.00 0.00 O ATOM 555 OE2 GLU A 34 -1.616 5.465 5.995 1.00 0.00 O ATOM 0 H GLU A 34 -6.736 2.833 3.808 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.148 5.044 2.606 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.355 4.444 5.140 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.321 3.077 4.773 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.728 4.797 3.627 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.681 6.040 4.412 1.00 0.00 H new ATOM 562 N PHE A 35 -3.173 2.674 2.617 1.00 0.00 N ATOM 563 CA PHE A 35 -2.326 1.785 1.781 1.00 0.00 C ATOM 564 C PHE A 35 -1.406 0.948 2.681 1.00 0.00 C ATOM 565 O PHE A 35 -0.768 1.472 3.573 1.00 0.00 O ATOM 566 CB PHE A 35 -1.486 2.633 0.824 1.00 0.00 C ATOM 567 CG PHE A 35 -2.365 3.127 -0.299 1.00 0.00 C ATOM 568 CD1 PHE A 35 -3.182 2.228 -0.994 1.00 0.00 C ATOM 569 CD2 PHE A 35 -2.366 4.484 -0.644 1.00 0.00 C ATOM 570 CE1 PHE A 35 -4.001 2.684 -2.033 1.00 0.00 C ATOM 571 CE2 PHE A 35 -3.184 4.941 -1.684 1.00 0.00 C ATOM 572 CZ PHE A 35 -4.002 4.041 -2.379 1.00 0.00 C ATOM 0 H PHE A 35 -2.806 2.883 3.545 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.963 1.115 1.204 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -1.046 3.476 1.356 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.661 2.043 0.424 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -3.180 1.181 -0.728 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.736 5.178 -0.108 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -4.632 1.990 -2.568 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.184 5.988 -1.951 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.633 4.393 -3.181 1.00 0.00 H new ATOM 582 N PRO A 36 -1.374 -0.336 2.418 1.00 0.00 N ATOM 583 CA PRO A 36 -0.547 -1.284 3.191 1.00 0.00 C ATOM 584 C PRO A 36 0.939 -0.917 3.075 1.00 0.00 C ATOM 585 O PRO A 36 1.639 -1.394 2.207 1.00 0.00 O ATOM 586 CB PRO A 36 -0.828 -2.651 2.547 1.00 0.00 C ATOM 587 CG PRO A 36 -1.745 -2.420 1.320 1.00 0.00 C ATOM 588 CD PRO A 36 -2.158 -0.944 1.327 1.00 0.00 C ATOM 0 HA PRO A 36 -0.782 -1.275 4.255 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.104 -3.128 2.243 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.309 -3.318 3.262 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.220 -2.667 0.397 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -2.623 -3.064 1.370 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.940 -0.468 0.371 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.228 -0.834 1.501 1.00 0.00 H new ATOM 596 N GLY A 37 1.419 -0.066 3.944 1.00 0.00 N ATOM 597 CA GLY A 37 2.852 0.352 3.888 1.00 0.00 C ATOM 598 C GLY A 37 3.782 -0.865 3.917 1.00 0.00 C ATOM 599 O GLY A 37 3.390 -1.976 3.619 1.00 0.00 O ATOM 0 H GLY A 37 0.876 0.360 4.695 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.031 0.929 2.981 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.077 1.006 4.731 1.00 0.00 H new ATOM 603 N GLY A 38 5.021 -0.647 4.272 1.00 0.00 N ATOM 604 CA GLY A 38 6.012 -1.758 4.324 1.00 0.00 C ATOM 605 C GLY A 38 7.422 -1.170 4.369 1.00 0.00 C ATOM 606 O GLY A 38 8.326 -1.761 4.921 1.00 0.00 O ATOM 0 H GLY A 38 5.392 0.267 4.531 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.835 -2.378 5.203 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.901 -2.402 3.452 1.00 0.00 H new ATOM 610 N LYS A 39 7.602 -0.005 3.797 1.00 0.00 N ATOM 611 CA LYS A 39 8.942 0.656 3.798 1.00 0.00 C ATOM 612 C LYS A 39 9.923 -0.091 2.897 1.00 0.00 C ATOM 613 O LYS A 39 10.473 -1.104 3.272 1.00 0.00 O ATOM 614 CB LYS A 39 9.506 0.691 5.215 1.00 0.00 C ATOM 615 CG LYS A 39 10.927 1.249 5.166 1.00 0.00 C ATOM 616 CD LYS A 39 10.878 2.739 4.828 1.00 0.00 C ATOM 617 CE LYS A 39 11.940 3.055 3.773 1.00 0.00 C ATOM 618 NZ LYS A 39 12.977 3.951 4.359 1.00 0.00 N ATOM 0 H LYS A 39 6.868 0.522 3.324 1.00 0.00 H new ATOM 0 HA LYS A 39 8.813 1.670 3.420 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.879 1.311 5.855 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.509 -0.311 5.645 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.421 1.099 6.126 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.513 0.715 4.418 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.889 3.007 4.456 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.053 3.333 5.725 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.400 2.133 3.418 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.478 3.533 2.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.887 4.902 3.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.847 4.005 5.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.922 3.572 4.149 1.00 0.00 H new ATOM 632 N ILE A 40 10.172 0.418 1.721 1.00 0.00 N ATOM 633 CA ILE A 40 11.152 -0.260 0.819 1.00 0.00 C ATOM 634 C ILE A 40 12.569 0.147 1.230 1.00 0.00 C ATOM 635 O ILE A 40 12.864 1.310 1.423 1.00 0.00 O ATOM 636 CB ILE A 40 10.891 0.100 -0.660 1.00 0.00 C ATOM 637 CG1 ILE A 40 12.224 0.183 -1.441 1.00 0.00 C ATOM 638 CG2 ILE A 40 10.135 1.430 -0.765 1.00 0.00 C ATOM 639 CD1 ILE A 40 12.784 1.611 -1.400 1.00 0.00 C ATOM 0 H ILE A 40 9.745 1.265 1.347 1.00 0.00 H new ATOM 0 HA ILE A 40 11.037 -1.340 0.916 1.00 0.00 H new ATOM 0 HB ILE A 40 10.277 -0.686 -1.099 1.00 0.00 H new ATOM 0 HG12 ILE A 40 12.947 -0.510 -1.011 1.00 0.00 H new ATOM 0 HG13 ILE A 40 12.066 -0.122 -2.475 1.00 0.00 H new ATOM 0 HG21 ILE A 40 9.960 1.667 -1.814 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.179 1.347 -0.248 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.728 2.222 -0.308 1.00 0.00 H new ATOM 0 HD11 ILE A 40 13.722 1.650 -1.954 1.00 0.00 H new ATOM 0 HD12 ILE A 40 12.067 2.296 -1.851 1.00 0.00 H new ATOM 0 HD13 ILE A 40 12.962 1.902 -0.365 1.00 0.00 H new ATOM 651 N GLU A 41 13.445 -0.804 1.358 1.00 0.00 N ATOM 652 CA GLU A 41 14.841 -0.474 1.750 1.00 0.00 C ATOM 653 C GLU A 41 15.721 -1.723 1.631 1.00 0.00 C ATOM 654 O GLU A 41 16.894 -1.641 1.327 1.00 0.00 O ATOM 655 CB GLU A 41 14.849 0.042 3.191 1.00 0.00 C ATOM 656 CG GLU A 41 14.721 -1.132 4.165 1.00 0.00 C ATOM 657 CD GLU A 41 14.743 -0.608 5.602 1.00 0.00 C ATOM 658 OE1 GLU A 41 15.614 0.188 5.908 1.00 0.00 O ATOM 659 OE2 GLU A 41 13.887 -1.012 6.371 1.00 0.00 O ATOM 0 H GLU A 41 13.257 -1.795 1.209 1.00 0.00 H new ATOM 0 HA GLU A 41 15.237 0.297 1.089 1.00 0.00 H new ATOM 0 HB2 GLU A 41 15.772 0.589 3.386 1.00 0.00 H new ATOM 0 HB3 GLU A 41 14.027 0.741 3.341 1.00 0.00 H new ATOM 0 HG2 GLU A 41 13.794 -1.674 3.978 1.00 0.00 H new ATOM 0 HG3 GLU A 41 15.538 -1.837 4.011 1.00 0.00 H new ATOM 666 N MET A 42 15.162 -2.879 1.875 1.00 0.00 N ATOM 667 CA MET A 42 15.963 -4.133 1.782 1.00 0.00 C ATOM 668 C MET A 42 16.657 -4.203 0.421 1.00 0.00 C ATOM 669 O MET A 42 16.280 -3.525 -0.515 1.00 0.00 O ATOM 670 CB MET A 42 15.039 -5.342 1.940 1.00 0.00 C ATOM 671 CG MET A 42 14.261 -5.224 3.252 1.00 0.00 C ATOM 672 SD MET A 42 15.136 -6.125 4.557 1.00 0.00 S ATOM 673 CE MET A 42 15.950 -4.696 5.312 1.00 0.00 C ATOM 0 H MET A 42 14.184 -3.008 2.135 1.00 0.00 H new ATOM 0 HA MET A 42 16.713 -4.139 2.573 1.00 0.00 H new ATOM 0 HB2 MET A 42 14.348 -5.397 1.099 1.00 0.00 H new ATOM 0 HB3 MET A 42 15.623 -6.262 1.933 1.00 0.00 H new ATOM 0 HG2 MET A 42 14.152 -4.176 3.530 1.00 0.00 H new ATOM 0 HG3 MET A 42 13.256 -5.627 3.128 1.00 0.00 H new ATOM 0 HE1 MET A 42 16.126 -4.894 6.369 1.00 0.00 H new ATOM 0 HE2 MET A 42 16.902 -4.514 4.813 1.00 0.00 H new ATOM 0 HE3 MET A 42 15.313 -3.818 5.209 1.00 0.00 H new ATOM 683 N GLY A 43 17.668 -5.020 0.302 1.00 0.00 N ATOM 684 CA GLY A 43 18.383 -5.137 -0.999 1.00 0.00 C ATOM 685 C GLY A 43 18.790 -3.747 -1.486 1.00 0.00 C ATOM 686 O GLY A 43 19.505 -3.024 -0.821 1.00 0.00 O ATOM 0 H GLY A 43 18.029 -5.611 1.050 1.00 0.00 H new ATOM 0 HA2 GLY A 43 19.266 -5.767 -0.885 1.00 0.00 H new ATOM 0 HA3 GLY A 43 17.741 -5.618 -1.737 1.00 0.00 H new ATOM 690 N GLU A 44 18.332 -3.371 -2.644 1.00 0.00 N ATOM 691 CA GLU A 44 18.676 -2.030 -3.193 1.00 0.00 C ATOM 692 C GLU A 44 17.795 -1.752 -4.411 1.00 0.00 C ATOM 693 O GLU A 44 18.151 -0.994 -5.291 1.00 0.00 O ATOM 694 CB GLU A 44 20.148 -2.012 -3.615 1.00 0.00 C ATOM 695 CG GLU A 44 20.899 -0.955 -2.804 1.00 0.00 C ATOM 696 CD GLU A 44 20.156 0.379 -2.889 1.00 0.00 C ATOM 697 OE1 GLU A 44 20.401 1.113 -3.833 1.00 0.00 O ATOM 698 OE2 GLU A 44 19.353 0.644 -2.010 1.00 0.00 O ATOM 0 H GLU A 44 17.729 -3.938 -3.240 1.00 0.00 H new ATOM 0 HA GLU A 44 18.510 -1.267 -2.433 1.00 0.00 H new ATOM 0 HB2 GLU A 44 20.595 -2.993 -3.455 1.00 0.00 H new ATOM 0 HB3 GLU A 44 20.229 -1.794 -4.680 1.00 0.00 H new ATOM 0 HG2 GLU A 44 20.982 -1.271 -1.764 1.00 0.00 H new ATOM 0 HG3 GLU A 44 21.914 -0.843 -3.185 1.00 0.00 H new ATOM 705 N THR A 45 16.651 -2.373 -4.471 1.00 0.00 N ATOM 706 CA THR A 45 15.742 -2.171 -5.627 1.00 0.00 C ATOM 707 C THR A 45 14.318 -2.457 -5.154 1.00 0.00 C ATOM 708 O THR A 45 14.123 -3.323 -4.340 1.00 0.00 O ATOM 709 CB THR A 45 16.146 -3.160 -6.727 1.00 0.00 C ATOM 710 OG1 THR A 45 17.463 -2.854 -7.168 1.00 0.00 O ATOM 711 CG2 THR A 45 15.179 -3.067 -7.908 1.00 0.00 C ATOM 0 H THR A 45 16.306 -3.018 -3.760 1.00 0.00 H new ATOM 0 HA THR A 45 15.801 -1.155 -6.016 1.00 0.00 H new ATOM 0 HB THR A 45 16.113 -4.173 -6.326 1.00 0.00 H new ATOM 0 HG1 THR A 45 17.727 -3.484 -7.870 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.479 -3.775 -8.681 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.170 -3.303 -7.571 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.198 -2.056 -8.315 1.00 0.00 H new ATOM 719 N PRO A 46 13.364 -1.725 -5.665 1.00 0.00 N ATOM 720 CA PRO A 46 11.949 -1.906 -5.279 1.00 0.00 C ATOM 721 C PRO A 46 11.539 -3.383 -5.328 1.00 0.00 C ATOM 722 O PRO A 46 10.537 -3.764 -4.764 1.00 0.00 O ATOM 723 CB PRO A 46 11.167 -1.077 -6.300 1.00 0.00 C ATOM 724 CG PRO A 46 12.192 -0.224 -7.094 1.00 0.00 C ATOM 725 CD PRO A 46 13.601 -0.670 -6.667 1.00 0.00 C ATOM 0 HA PRO A 46 11.758 -1.587 -4.254 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.607 -1.727 -6.972 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.442 -0.436 -5.798 1.00 0.00 H new ATOM 0 HG2 PRO A 46 12.056 -0.362 -8.167 1.00 0.00 H new ATOM 0 HG3 PRO A 46 12.048 0.837 -6.889 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.172 -1.048 -7.515 1.00 0.00 H new ATOM 0 HD3 PRO A 46 14.169 0.159 -6.245 1.00 0.00 H new ATOM 733 N GLU A 47 12.298 -4.222 -5.980 1.00 0.00 N ATOM 734 CA GLU A 47 11.927 -5.664 -6.029 1.00 0.00 C ATOM 735 C GLU A 47 12.324 -6.329 -4.709 1.00 0.00 C ATOM 736 O GLU A 47 11.490 -6.646 -3.905 1.00 0.00 O ATOM 737 CB GLU A 47 12.652 -6.347 -7.190 1.00 0.00 C ATOM 738 CG GLU A 47 11.633 -6.773 -8.246 1.00 0.00 C ATOM 739 CD GLU A 47 12.357 -7.099 -9.554 1.00 0.00 C ATOM 740 OE1 GLU A 47 13.131 -8.041 -9.559 1.00 0.00 O ATOM 741 OE2 GLU A 47 12.126 -6.399 -10.526 1.00 0.00 O ATOM 0 H GLU A 47 13.153 -3.973 -6.477 1.00 0.00 H new ATOM 0 HA GLU A 47 10.851 -5.759 -6.178 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.382 -5.666 -7.628 1.00 0.00 H new ATOM 0 HB3 GLU A 47 13.202 -7.216 -6.829 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.077 -7.644 -7.899 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.908 -5.976 -8.409 1.00 0.00 H new ATOM 748 N GLN A 48 13.585 -6.543 -4.469 1.00 0.00 N ATOM 749 CA GLN A 48 13.981 -7.183 -3.181 1.00 0.00 C ATOM 750 C GLN A 48 13.438 -6.359 -2.021 1.00 0.00 C ATOM 751 O GLN A 48 13.139 -6.873 -0.969 1.00 0.00 O ATOM 752 CB GLN A 48 15.499 -7.246 -3.055 1.00 0.00 C ATOM 753 CG GLN A 48 16.001 -8.523 -3.725 1.00 0.00 C ATOM 754 CD GLN A 48 17.188 -9.085 -2.940 1.00 0.00 C ATOM 755 OE1 GLN A 48 16.966 -9.803 -1.873 1.00 0.00 O flip ATOM 756 NE2 GLN A 48 18.328 -8.871 -3.302 1.00 0.00 N flip ATOM 0 H GLN A 48 14.352 -6.307 -5.098 1.00 0.00 H new ATOM 0 HA GLN A 48 13.574 -8.194 -3.160 1.00 0.00 H new ATOM 0 HB2 GLN A 48 15.952 -6.372 -3.523 1.00 0.00 H new ATOM 0 HB3 GLN A 48 15.790 -7.232 -2.005 1.00 0.00 H new ATOM 0 HG2 GLN A 48 15.200 -9.261 -3.769 1.00 0.00 H new ATOM 0 HG3 GLN A 48 16.299 -8.313 -4.752 1.00 0.00 H new ATOM 0 HE21 GLN A 48 18.501 -8.310 -4.136 1.00 0.00 H new ATOM 0 HE22 GLN A 48 19.112 -9.253 -2.772 1.00 0.00 H new ATOM 765 N ALA A 49 13.323 -5.080 -2.207 1.00 0.00 N ATOM 766 CA ALA A 49 12.815 -4.209 -1.119 1.00 0.00 C ATOM 767 C ALA A 49 11.349 -4.525 -0.846 1.00 0.00 C ATOM 768 O ALA A 49 10.999 -4.950 0.223 1.00 0.00 O ATOM 769 CB ALA A 49 12.945 -2.742 -1.529 1.00 0.00 C ATOM 0 H ALA A 49 13.561 -4.596 -3.073 1.00 0.00 H new ATOM 0 HA ALA A 49 13.400 -4.390 -0.218 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.571 -2.106 -0.727 1.00 0.00 H new ATOM 0 HB2 ALA A 49 13.993 -2.509 -1.718 1.00 0.00 H new ATOM 0 HB3 ALA A 49 12.364 -2.564 -2.434 1.00 0.00 H new ATOM 775 N VAL A 50 10.489 -4.312 -1.797 1.00 0.00 N ATOM 776 CA VAL A 50 9.040 -4.589 -1.564 1.00 0.00 C ATOM 777 C VAL A 50 8.801 -6.092 -1.409 1.00 0.00 C ATOM 778 O VAL A 50 8.132 -6.541 -0.502 1.00 0.00 O ATOM 779 CB VAL A 50 8.229 -4.043 -2.744 1.00 0.00 C ATOM 780 CG1 VAL A 50 8.235 -5.036 -3.912 1.00 0.00 C ATOM 781 CG2 VAL A 50 6.791 -3.814 -2.299 1.00 0.00 C ATOM 0 H VAL A 50 10.721 -3.959 -2.725 1.00 0.00 H new ATOM 0 HA VAL A 50 8.723 -4.098 -0.644 1.00 0.00 H new ATOM 0 HB VAL A 50 8.680 -3.107 -3.073 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.653 -4.629 -4.739 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.261 -5.207 -4.239 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.795 -5.980 -3.590 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.209 -3.425 -3.135 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.359 -4.757 -1.964 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.774 -3.095 -1.480 1.00 0.00 H new ATOM 791 N VAL A 51 9.341 -6.852 -2.300 1.00 0.00 N ATOM 792 CA VAL A 51 9.176 -8.332 -2.273 1.00 0.00 C ATOM 793 C VAL A 51 9.638 -8.896 -0.921 1.00 0.00 C ATOM 794 O VAL A 51 8.999 -9.754 -0.346 1.00 0.00 O ATOM 795 CB VAL A 51 10.021 -8.919 -3.410 1.00 0.00 C ATOM 796 CG1 VAL A 51 11.464 -9.093 -2.949 1.00 0.00 C ATOM 797 CG2 VAL A 51 9.465 -10.275 -3.832 1.00 0.00 C ATOM 0 H VAL A 51 9.909 -6.506 -3.073 1.00 0.00 H new ATOM 0 HA VAL A 51 8.127 -8.598 -2.404 1.00 0.00 H new ATOM 0 HB VAL A 51 9.987 -8.234 -4.257 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.058 -9.510 -3.762 1.00 0.00 H new ATOM 0 HG12 VAL A 51 11.873 -8.125 -2.661 1.00 0.00 H new ATOM 0 HG13 VAL A 51 11.494 -9.768 -2.094 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.073 -10.682 -4.640 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.486 -10.957 -2.982 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.438 -10.156 -4.176 1.00 0.00 H new ATOM 807 N ARG A 52 10.741 -8.416 -0.411 1.00 0.00 N ATOM 808 CA ARG A 52 11.244 -8.913 0.896 1.00 0.00 C ATOM 809 C ARG A 52 10.411 -8.256 1.990 1.00 0.00 C ATOM 810 O ARG A 52 10.155 -8.830 3.029 1.00 0.00 O ATOM 811 CB ARG A 52 12.724 -8.543 1.040 1.00 0.00 C ATOM 812 CG ARG A 52 13.529 -9.251 -0.051 1.00 0.00 C ATOM 813 CD ARG A 52 13.940 -10.642 0.440 1.00 0.00 C ATOM 814 NE ARG A 52 15.417 -10.684 0.648 1.00 0.00 N ATOM 815 CZ ARG A 52 15.952 -11.658 1.336 1.00 0.00 C ATOM 816 NH1 ARG A 52 15.878 -11.653 2.641 1.00 0.00 N ATOM 817 NH2 ARG A 52 16.563 -12.637 0.720 1.00 0.00 N ATOM 0 H ARG A 52 11.316 -7.697 -0.849 1.00 0.00 H new ATOM 0 HA ARG A 52 11.157 -9.997 0.969 1.00 0.00 H new ATOM 0 HB2 ARG A 52 12.851 -7.463 0.959 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.090 -8.834 2.025 1.00 0.00 H new ATOM 0 HG2 ARG A 52 12.934 -9.336 -0.960 1.00 0.00 H new ATOM 0 HG3 ARG A 52 14.414 -8.666 -0.303 1.00 0.00 H new ATOM 0 HD2 ARG A 52 13.425 -10.877 1.371 1.00 0.00 H new ATOM 0 HD3 ARG A 52 13.644 -11.398 -0.287 1.00 0.00 H new ATOM 0 HE ARG A 52 16.009 -9.953 0.253 1.00 0.00 H new ATOM 0 HH11 ARG A 52 15.403 -10.889 3.122 1.00 0.00 H new ATOM 0 HH12 ARG A 52 16.295 -12.413 3.178 1.00 0.00 H new ATOM 0 HH21 ARG A 52 16.622 -12.641 -0.298 1.00 0.00 H new ATOM 0 HH22 ARG A 52 16.980 -13.397 1.258 1.00 0.00 H new ATOM 831 N GLU A 53 9.933 -7.070 1.728 1.00 0.00 N ATOM 832 CA GLU A 53 9.054 -6.386 2.709 1.00 0.00 C ATOM 833 C GLU A 53 7.689 -7.047 2.624 1.00 0.00 C ATOM 834 O GLU A 53 6.829 -6.840 3.446 1.00 0.00 O ATOM 835 CB GLU A 53 8.917 -4.910 2.354 1.00 0.00 C ATOM 836 CG GLU A 53 10.280 -4.242 2.463 1.00 0.00 C ATOM 837 CD GLU A 53 10.432 -3.606 3.843 1.00 0.00 C ATOM 838 OE1 GLU A 53 9.508 -3.724 4.630 1.00 0.00 O ATOM 839 OE2 GLU A 53 11.473 -3.021 4.095 1.00 0.00 O ATOM 0 H GLU A 53 10.116 -6.546 0.872 1.00 0.00 H new ATOM 0 HA GLU A 53 9.473 -6.462 3.712 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.525 -4.801 1.343 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.207 -4.426 3.025 1.00 0.00 H new ATOM 0 HG2 GLU A 53 11.069 -4.976 2.301 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.387 -3.483 1.688 1.00 0.00 H new ATOM 846 N LEU A 54 7.502 -7.844 1.610 1.00 0.00 N ATOM 847 CA LEU A 54 6.217 -8.553 1.410 1.00 0.00 C ATOM 848 C LEU A 54 6.180 -9.783 2.320 1.00 0.00 C ATOM 849 O LEU A 54 5.289 -9.954 3.128 1.00 0.00 O ATOM 850 CB LEU A 54 6.145 -8.987 -0.058 1.00 0.00 C ATOM 851 CG LEU A 54 5.110 -8.145 -0.809 1.00 0.00 C ATOM 852 CD1 LEU A 54 3.784 -8.168 -0.052 1.00 0.00 C ATOM 853 CD2 LEU A 54 5.611 -6.701 -0.919 1.00 0.00 C ATOM 0 H LEU A 54 8.206 -8.035 0.897 1.00 0.00 H new ATOM 0 HA LEU A 54 5.372 -7.908 1.652 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.123 -8.876 -0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.880 -10.042 -0.120 1.00 0.00 H new ATOM 0 HG LEU A 54 4.963 -8.557 -1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.049 -7.568 -0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.427 -9.195 0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.928 -7.757 0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.875 -6.100 -1.454 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.759 -6.290 0.080 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.556 -6.684 -1.462 1.00 0.00 H new ATOM 865 N GLN A 55 7.149 -10.641 2.172 1.00 0.00 N ATOM 866 CA GLN A 55 7.208 -11.887 2.999 1.00 0.00 C ATOM 867 C GLN A 55 7.422 -11.553 4.477 1.00 0.00 C ATOM 868 O GLN A 55 6.840 -12.168 5.349 1.00 0.00 O ATOM 869 CB GLN A 55 8.373 -12.770 2.530 1.00 0.00 C ATOM 870 CG GLN A 55 9.520 -11.902 1.998 1.00 0.00 C ATOM 871 CD GLN A 55 10.854 -12.457 2.497 1.00 0.00 C ATOM 872 OE1 GLN A 55 11.586 -11.779 3.191 1.00 0.00 O ATOM 873 NE2 GLN A 55 11.204 -13.671 2.171 1.00 0.00 N ATOM 0 H GLN A 55 7.914 -10.534 1.506 1.00 0.00 H new ATOM 0 HA GLN A 55 6.260 -12.412 2.880 1.00 0.00 H new ATOM 0 HB2 GLN A 55 8.727 -13.385 3.357 1.00 0.00 H new ATOM 0 HB3 GLN A 55 8.031 -13.450 1.750 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.505 -11.889 0.908 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.395 -10.872 2.331 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.590 -14.240 1.589 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.092 -14.051 2.499 1.00 0.00 H new ATOM 882 N GLU A 56 8.279 -10.619 4.771 1.00 0.00 N ATOM 883 CA GLU A 56 8.557 -10.291 6.199 1.00 0.00 C ATOM 884 C GLU A 56 7.276 -9.886 6.945 1.00 0.00 C ATOM 885 O GLU A 56 7.203 -10.006 8.153 1.00 0.00 O ATOM 886 CB GLU A 56 9.589 -9.161 6.276 1.00 0.00 C ATOM 887 CG GLU A 56 9.179 -8.003 5.374 1.00 0.00 C ATOM 888 CD GLU A 56 8.391 -6.970 6.186 1.00 0.00 C ATOM 889 OE1 GLU A 56 7.731 -7.368 7.131 1.00 0.00 O ATOM 890 OE2 GLU A 56 8.460 -5.796 5.849 1.00 0.00 O ATOM 0 H GLU A 56 8.799 -10.068 4.088 1.00 0.00 H new ATOM 0 HA GLU A 56 8.953 -11.184 6.682 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.681 -8.814 7.305 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.569 -9.534 5.977 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.063 -7.539 4.937 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.571 -8.371 4.547 1.00 0.00 H new ATOM 897 N GLU A 57 6.267 -9.404 6.265 1.00 0.00 N ATOM 898 CA GLU A 57 5.024 -9.003 6.995 1.00 0.00 C ATOM 899 C GLU A 57 4.161 -10.235 7.309 1.00 0.00 C ATOM 900 O GLU A 57 4.209 -10.772 8.397 1.00 0.00 O ATOM 901 CB GLU A 57 4.214 -7.995 6.165 1.00 0.00 C ATOM 902 CG GLU A 57 5.156 -7.148 5.318 1.00 0.00 C ATOM 903 CD GLU A 57 4.793 -5.669 5.463 1.00 0.00 C ATOM 904 OE1 GLU A 57 3.616 -5.379 5.597 1.00 0.00 O ATOM 905 OE2 GLU A 57 5.699 -4.851 5.435 1.00 0.00 O ATOM 0 H GLU A 57 6.247 -9.272 5.254 1.00 0.00 H new ATOM 0 HA GLU A 57 5.318 -8.532 7.933 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.508 -8.522 5.523 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.628 -7.355 6.824 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.187 -7.311 5.631 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.089 -7.448 4.272 1.00 0.00 H new ATOM 912 N VAL A 58 3.365 -10.681 6.371 1.00 0.00 N ATOM 913 CA VAL A 58 2.492 -11.859 6.623 1.00 0.00 C ATOM 914 C VAL A 58 3.300 -13.151 6.475 1.00 0.00 C ATOM 915 O VAL A 58 3.725 -13.739 7.449 1.00 0.00 O ATOM 916 CB VAL A 58 1.345 -11.837 5.615 1.00 0.00 C ATOM 917 CG1 VAL A 58 0.526 -13.118 5.726 1.00 0.00 C ATOM 918 CG2 VAL A 58 0.445 -10.633 5.905 1.00 0.00 C ATOM 0 H VAL A 58 3.284 -10.276 5.438 1.00 0.00 H new ATOM 0 HA VAL A 58 2.094 -11.818 7.637 1.00 0.00 H new ATOM 0 HB VAL A 58 1.754 -11.762 4.607 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.289 -13.092 5.003 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.165 -13.977 5.522 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.116 -13.202 6.732 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.376 -10.612 5.188 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.043 -10.714 6.915 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.026 -9.715 5.818 1.00 0.00 H new ATOM 928 N GLY A 59 3.521 -13.600 5.268 1.00 0.00 N ATOM 929 CA GLY A 59 4.308 -14.852 5.088 1.00 0.00 C ATOM 930 C GLY A 59 3.755 -15.681 3.923 1.00 0.00 C ATOM 931 O GLY A 59 3.817 -16.895 3.939 1.00 0.00 O ATOM 0 H GLY A 59 3.194 -13.159 4.408 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.353 -14.606 4.901 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.278 -15.440 6.005 1.00 0.00 H new ATOM 935 N ILE A 60 3.234 -15.051 2.904 1.00 0.00 N ATOM 936 CA ILE A 60 2.710 -15.835 1.746 1.00 0.00 C ATOM 937 C ILE A 60 3.817 -15.938 0.690 1.00 0.00 C ATOM 938 O ILE A 60 4.981 -15.769 0.995 1.00 0.00 O ATOM 939 CB ILE A 60 1.477 -15.145 1.149 1.00 0.00 C ATOM 940 CG1 ILE A 60 1.849 -13.737 0.703 1.00 0.00 C ATOM 941 CG2 ILE A 60 0.365 -15.060 2.197 1.00 0.00 C ATOM 942 CD1 ILE A 60 1.928 -13.692 -0.824 1.00 0.00 C ATOM 0 H ILE A 60 3.149 -14.038 2.822 1.00 0.00 H new ATOM 0 HA ILE A 60 2.415 -16.830 2.078 1.00 0.00 H new ATOM 0 HB ILE A 60 1.126 -15.724 0.295 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.108 -13.023 1.061 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.806 -13.447 1.136 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.506 -14.569 1.764 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.092 -16.065 2.520 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.716 -14.486 3.055 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.194 -12.685 -1.145 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.686 -14.395 -1.170 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.961 -13.964 -1.247 1.00 0.00 H new ATOM 954 N THR A 61 3.482 -16.214 -0.543 1.00 0.00 N ATOM 955 CA THR A 61 4.552 -16.322 -1.579 1.00 0.00 C ATOM 956 C THR A 61 4.139 -15.579 -2.867 1.00 0.00 C ATOM 957 O THR A 61 4.698 -14.541 -3.163 1.00 0.00 O ATOM 958 CB THR A 61 4.857 -17.805 -1.850 1.00 0.00 C ATOM 959 OG1 THR A 61 5.725 -18.287 -0.834 1.00 0.00 O ATOM 960 CG2 THR A 61 5.541 -17.971 -3.212 1.00 0.00 C ATOM 0 H THR A 61 2.530 -16.367 -0.874 1.00 0.00 H new ATOM 0 HA THR A 61 5.462 -15.847 -1.212 1.00 0.00 H new ATOM 0 HB THR A 61 3.923 -18.367 -1.853 1.00 0.00 H new ATOM 0 HG1 THR A 61 5.761 -17.639 -0.100 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.750 -19.026 -3.388 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.885 -17.595 -3.997 1.00 0.00 H new ATOM 0 HG23 THR A 61 6.475 -17.410 -3.221 1.00 0.00 H new ATOM 968 N PRO A 62 3.180 -16.104 -3.602 1.00 0.00 N ATOM 969 CA PRO A 62 2.721 -15.458 -4.843 1.00 0.00 C ATOM 970 C PRO A 62 2.202 -14.054 -4.551 1.00 0.00 C ATOM 971 O PRO A 62 2.336 -13.550 -3.456 1.00 0.00 O ATOM 972 CB PRO A 62 1.587 -16.347 -5.363 1.00 0.00 C ATOM 973 CG PRO A 62 1.328 -17.432 -4.296 1.00 0.00 C ATOM 974 CD PRO A 62 2.476 -17.352 -3.275 1.00 0.00 C ATOM 0 HA PRO A 62 3.526 -15.355 -5.571 1.00 0.00 H new ATOM 0 HB2 PRO A 62 0.687 -15.758 -5.539 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.861 -16.802 -6.315 1.00 0.00 H new ATOM 0 HG2 PRO A 62 0.367 -17.269 -3.808 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.289 -18.420 -4.754 1.00 0.00 H new ATOM 0 HD2 PRO A 62 2.097 -17.337 -2.253 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.139 -18.213 -3.356 1.00 0.00 H new ATOM 982 N GLN A 63 1.618 -13.441 -5.544 1.00 0.00 N ATOM 983 CA GLN A 63 1.067 -12.059 -5.426 1.00 0.00 C ATOM 984 C GLN A 63 1.308 -11.366 -6.760 1.00 0.00 C ATOM 985 O GLN A 63 0.653 -10.410 -7.100 1.00 0.00 O ATOM 986 CB GLN A 63 1.780 -11.259 -4.336 1.00 0.00 C ATOM 987 CG GLN A 63 3.283 -11.300 -4.595 1.00 0.00 C ATOM 988 CD GLN A 63 3.913 -9.971 -4.173 1.00 0.00 C ATOM 989 OE1 GLN A 63 3.216 -9.019 -3.882 1.00 0.00 O ATOM 990 NE2 GLN A 63 5.212 -9.868 -4.128 1.00 0.00 N ATOM 0 H GLN A 63 1.496 -13.857 -6.467 1.00 0.00 H new ATOM 0 HA GLN A 63 0.009 -12.115 -5.168 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.426 -10.228 -4.333 1.00 0.00 H new ATOM 0 HB3 GLN A 63 1.555 -11.676 -3.354 1.00 0.00 H new ATOM 0 HG2 GLN A 63 3.736 -12.121 -4.039 1.00 0.00 H new ATOM 0 HG3 GLN A 63 3.475 -11.486 -5.652 1.00 0.00 H new ATOM 0 HE21 GLN A 63 5.796 -10.668 -4.372 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.644 -8.988 -3.848 1.00 0.00 H new ATOM 999 N HIS A 64 2.260 -11.847 -7.518 1.00 0.00 N ATOM 1000 CA HIS A 64 2.553 -11.217 -8.832 1.00 0.00 C ATOM 1001 C HIS A 64 2.551 -9.700 -8.658 1.00 0.00 C ATOM 1002 O HIS A 64 1.642 -9.013 -9.076 1.00 0.00 O ATOM 1003 CB HIS A 64 1.475 -11.634 -9.826 1.00 0.00 C ATOM 1004 CG HIS A 64 2.120 -12.203 -11.060 1.00 0.00 C ATOM 1005 ND1 HIS A 64 2.658 -13.480 -11.090 1.00 0.00 N ATOM 1006 CD2 HIS A 64 2.321 -11.682 -12.315 1.00 0.00 C ATOM 1007 CE1 HIS A 64 3.153 -13.683 -12.324 1.00 0.00 C ATOM 1008 NE2 HIS A 64 2.974 -12.618 -13.111 1.00 0.00 N ATOM 0 H HIS A 64 2.845 -12.648 -7.280 1.00 0.00 H new ATOM 0 HA HIS A 64 3.527 -11.535 -9.204 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.816 -12.375 -9.373 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.857 -10.776 -10.089 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.018 -10.696 -12.635 1.00 0.00 H new ATOM 0 HE1 HIS A 64 3.636 -14.596 -12.640 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.256 -12.514 -14.086 1.00 0.00 H new ATOM 1016 N PHE A 65 3.558 -9.183 -8.015 1.00 0.00 N ATOM 1017 CA PHE A 65 3.626 -7.717 -7.771 1.00 0.00 C ATOM 1018 C PHE A 65 3.871 -6.958 -9.075 1.00 0.00 C ATOM 1019 O PHE A 65 4.517 -7.439 -9.985 1.00 0.00 O ATOM 1020 CB PHE A 65 4.765 -7.435 -6.794 1.00 0.00 C ATOM 1021 CG PHE A 65 6.070 -7.889 -7.402 1.00 0.00 C ATOM 1022 CD1 PHE A 65 6.520 -9.198 -7.198 1.00 0.00 C ATOM 1023 CD2 PHE A 65 6.829 -7.000 -8.175 1.00 0.00 C ATOM 1024 CE1 PHE A 65 7.729 -9.620 -7.765 1.00 0.00 C ATOM 1025 CE2 PHE A 65 8.038 -7.422 -8.742 1.00 0.00 C ATOM 1026 CZ PHE A 65 8.487 -8.732 -8.537 1.00 0.00 C ATOM 0 H PHE A 65 4.344 -9.718 -7.645 1.00 0.00 H new ATOM 0 HA PHE A 65 2.676 -7.381 -7.355 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.808 -6.370 -6.566 1.00 0.00 H new ATOM 0 HB3 PHE A 65 4.589 -7.956 -5.853 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.935 -9.883 -6.603 1.00 0.00 H new ATOM 0 HD2 PHE A 65 6.482 -5.990 -8.333 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.076 -10.630 -7.607 1.00 0.00 H new ATOM 0 HE2 PHE A 65 8.624 -6.737 -9.337 1.00 0.00 H new ATOM 0 HZ PHE A 65 9.419 -9.058 -8.975 1.00 0.00 H new ATOM 1036 N SER A 66 3.360 -5.762 -9.150 1.00 0.00 N ATOM 1037 CA SER A 66 3.543 -4.919 -10.362 1.00 0.00 C ATOM 1038 C SER A 66 3.696 -3.472 -9.900 1.00 0.00 C ATOM 1039 O SER A 66 3.101 -3.069 -8.927 1.00 0.00 O ATOM 1040 CB SER A 66 2.317 -5.045 -11.266 1.00 0.00 C ATOM 1041 OG SER A 66 2.722 -5.513 -12.545 1.00 0.00 O ATOM 0 H SER A 66 2.813 -5.326 -8.408 1.00 0.00 H new ATOM 0 HA SER A 66 4.422 -5.237 -10.922 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.596 -5.734 -10.826 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.820 -4.080 -11.360 1.00 0.00 H new ATOM 0 HG SER A 66 1.937 -5.596 -13.126 1.00 0.00 H new ATOM 1047 N LEU A 67 4.500 -2.690 -10.560 1.00 0.00 N ATOM 1048 CA LEU A 67 4.687 -1.280 -10.105 1.00 0.00 C ATOM 1049 C LEU A 67 3.387 -0.492 -10.275 1.00 0.00 C ATOM 1050 O LEU A 67 2.768 -0.099 -9.313 1.00 0.00 O ATOM 1051 CB LEU A 67 5.801 -0.619 -10.931 1.00 0.00 C ATOM 1052 CG LEU A 67 6.282 0.695 -10.281 1.00 0.00 C ATOM 1053 CD1 LEU A 67 5.434 1.862 -10.786 1.00 0.00 C ATOM 1054 CD2 LEU A 67 6.174 0.623 -8.754 1.00 0.00 C ATOM 0 H LEU A 67 5.033 -2.959 -11.387 1.00 0.00 H new ATOM 0 HA LEU A 67 4.963 -1.281 -9.051 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.641 -1.307 -11.028 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.437 -0.416 -11.938 1.00 0.00 H new ATOM 0 HG LEU A 67 7.327 0.846 -10.554 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.777 2.788 -10.324 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.530 1.939 -11.869 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.389 1.692 -10.525 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.519 1.561 -8.320 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.135 0.452 -8.470 1.00 0.00 H new ATOM 0 HD23 LEU A 67 6.790 -0.196 -8.384 1.00 0.00 H new ATOM 1066 N PHE A 68 3.000 -0.250 -11.497 1.00 0.00 N ATOM 1067 CA PHE A 68 1.765 0.531 -11.802 1.00 0.00 C ATOM 1068 C PHE A 68 2.099 2.024 -11.689 1.00 0.00 C ATOM 1069 O PHE A 68 1.846 2.796 -12.593 1.00 0.00 O ATOM 1070 CB PHE A 68 0.611 0.122 -10.855 1.00 0.00 C ATOM 1071 CG PHE A 68 -0.075 1.343 -10.277 1.00 0.00 C ATOM 1072 CD1 PHE A 68 -0.845 2.166 -11.108 1.00 0.00 C ATOM 1073 CD2 PHE A 68 0.062 1.651 -8.919 1.00 0.00 C ATOM 1074 CE1 PHE A 68 -1.478 3.297 -10.581 1.00 0.00 C ATOM 1075 CE2 PHE A 68 -0.572 2.783 -8.392 1.00 0.00 C ATOM 1076 CZ PHE A 68 -1.341 3.605 -9.224 1.00 0.00 C ATOM 0 H PHE A 68 3.504 -0.571 -12.323 1.00 0.00 H new ATOM 0 HA PHE A 68 1.424 0.319 -12.815 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.114 -0.483 -11.399 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.001 -0.497 -10.047 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.950 1.928 -12.156 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.656 1.016 -8.278 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.072 3.932 -11.222 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.468 3.022 -7.344 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.829 4.478 -8.817 1.00 0.00 H new ATOM 1086 N GLU A 69 2.678 2.431 -10.597 1.00 0.00 N ATOM 1087 CA GLU A 69 3.042 3.862 -10.435 1.00 0.00 C ATOM 1088 C GLU A 69 3.415 4.124 -8.980 1.00 0.00 C ATOM 1089 O GLU A 69 3.387 3.237 -8.152 1.00 0.00 O ATOM 1090 CB GLU A 69 1.857 4.745 -10.837 1.00 0.00 C ATOM 1091 CG GLU A 69 2.256 5.629 -12.021 1.00 0.00 C ATOM 1092 CD GLU A 69 1.667 7.029 -11.836 1.00 0.00 C ATOM 1093 OE1 GLU A 69 1.175 7.305 -10.754 1.00 0.00 O ATOM 1094 OE2 GLU A 69 1.720 7.802 -12.779 1.00 0.00 O ATOM 0 H GLU A 69 2.916 1.831 -9.807 1.00 0.00 H new ATOM 0 HA GLU A 69 3.892 4.098 -11.075 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.002 4.124 -11.105 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.549 5.365 -9.995 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.342 5.687 -12.095 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.896 5.192 -12.952 1.00 0.00 H new ATOM 1101 N LYS A 70 3.779 5.332 -8.666 1.00 0.00 N ATOM 1102 CA LYS A 70 4.170 5.651 -7.269 1.00 0.00 C ATOM 1103 C LYS A 70 4.058 7.159 -7.052 1.00 0.00 C ATOM 1104 O LYS A 70 4.088 7.930 -7.990 1.00 0.00 O ATOM 1105 CB LYS A 70 5.614 5.206 -7.045 1.00 0.00 C ATOM 1106 CG LYS A 70 6.509 5.832 -8.118 1.00 0.00 C ATOM 1107 CD LYS A 70 7.906 5.213 -8.045 1.00 0.00 C ATOM 1108 CE LYS A 70 8.596 5.663 -6.756 1.00 0.00 C ATOM 1109 NZ LYS A 70 9.995 6.079 -7.058 1.00 0.00 N ATOM 0 H LYS A 70 3.823 6.115 -9.319 1.00 0.00 H new ATOM 0 HA LYS A 70 3.515 5.134 -6.568 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.950 5.508 -6.053 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.682 4.119 -7.087 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.079 5.668 -9.106 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.570 6.910 -7.972 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.836 4.126 -8.072 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.495 5.516 -8.910 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.048 6.492 -6.308 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.596 4.851 -6.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.303 6.791 -6.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.622 5.251 -7.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.038 6.485 -8.014 1.00 0.00 H new ATOM 1123 N LEU A 71 3.928 7.593 -5.829 1.00 0.00 N ATOM 1124 CA LEU A 71 3.814 9.056 -5.583 1.00 0.00 C ATOM 1125 C LEU A 71 4.985 9.540 -4.731 1.00 0.00 C ATOM 1126 O LEU A 71 5.867 8.787 -4.367 1.00 0.00 O ATOM 1127 CB LEU A 71 2.496 9.371 -4.857 1.00 0.00 C ATOM 1128 CG LEU A 71 2.299 8.432 -3.658 1.00 0.00 C ATOM 1129 CD1 LEU A 71 3.427 8.627 -2.641 1.00 0.00 C ATOM 1130 CD2 LEU A 71 0.960 8.750 -2.982 1.00 0.00 C ATOM 0 H LEU A 71 3.896 7.004 -4.997 1.00 0.00 H new ATOM 0 HA LEU A 71 3.829 9.569 -6.545 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.501 10.407 -4.517 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.660 9.266 -5.549 1.00 0.00 H new ATOM 0 HG LEU A 71 2.308 7.401 -4.011 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.275 7.955 -1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.384 8.406 -3.113 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.425 9.659 -2.289 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.816 8.086 -2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.962 9.785 -2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.149 8.606 -3.696 1.00 0.00 H new ATOM 1142 N GLU A 72 4.975 10.795 -4.397 1.00 0.00 N ATOM 1143 CA GLU A 72 6.051 11.366 -3.547 1.00 0.00 C ATOM 1144 C GLU A 72 5.473 12.584 -2.835 1.00 0.00 C ATOM 1145 O GLU A 72 5.526 13.692 -3.331 1.00 0.00 O ATOM 1146 CB GLU A 72 7.246 11.779 -4.410 1.00 0.00 C ATOM 1147 CG GLU A 72 8.544 11.438 -3.673 1.00 0.00 C ATOM 1148 CD GLU A 72 9.735 11.634 -4.613 1.00 0.00 C ATOM 1149 OE1 GLU A 72 10.092 12.776 -4.855 1.00 0.00 O ATOM 1150 OE2 GLU A 72 10.270 10.640 -5.074 1.00 0.00 O ATOM 0 H GLU A 72 4.256 11.460 -4.681 1.00 0.00 H new ATOM 0 HA GLU A 72 6.399 10.628 -2.825 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.212 11.262 -5.369 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.204 12.847 -4.622 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.653 12.074 -2.794 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.513 10.408 -3.319 1.00 0.00 H new ATOM 1157 N TYR A 73 4.904 12.385 -1.679 1.00 0.00 N ATOM 1158 CA TYR A 73 4.305 13.523 -0.942 1.00 0.00 C ATOM 1159 C TYR A 73 5.426 14.283 -0.247 1.00 0.00 C ATOM 1160 O TYR A 73 6.228 13.710 0.463 1.00 0.00 O ATOM 1161 CB TYR A 73 3.312 12.991 0.098 1.00 0.00 C ATOM 1162 CG TYR A 73 2.033 13.802 0.087 1.00 0.00 C ATOM 1163 CD1 TYR A 73 1.997 15.087 -0.479 1.00 0.00 C ATOM 1164 CD2 TYR A 73 0.872 13.257 0.648 1.00 0.00 C ATOM 1165 CE1 TYR A 73 0.801 15.816 -0.480 1.00 0.00 C ATOM 1166 CE2 TYR A 73 -0.320 13.987 0.647 1.00 0.00 C ATOM 1167 CZ TYR A 73 -0.356 15.266 0.084 1.00 0.00 C ATOM 1168 OH TYR A 73 -1.534 15.985 0.082 1.00 0.00 O ATOM 0 H TYR A 73 4.830 11.480 -1.215 1.00 0.00 H new ATOM 0 HA TYR A 73 3.775 14.185 -1.627 1.00 0.00 H new ATOM 0 HB2 TYR A 73 3.086 11.945 -0.110 1.00 0.00 H new ATOM 0 HB3 TYR A 73 3.763 13.028 1.090 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.890 15.512 -0.913 1.00 0.00 H new ATOM 0 HD2 TYR A 73 0.897 12.269 1.083 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.771 16.803 -0.916 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -1.213 13.563 1.081 1.00 0.00 H new ATOM 0 HH TYR A 73 -2.240 15.458 0.511 1.00 0.00 H new ATOM 1178 N GLU A 74 5.507 15.563 -0.452 1.00 0.00 N ATOM 1179 CA GLU A 74 6.595 16.331 0.193 1.00 0.00 C ATOM 1180 C GLU A 74 6.048 17.057 1.419 1.00 0.00 C ATOM 1181 O GLU A 74 5.002 17.673 1.373 1.00 0.00 O ATOM 1182 CB GLU A 74 7.162 17.350 -0.798 1.00 0.00 C ATOM 1183 CG GLU A 74 8.686 17.392 -0.674 1.00 0.00 C ATOM 1184 CD GLU A 74 9.207 18.717 -1.235 1.00 0.00 C ATOM 1185 OE1 GLU A 74 8.642 19.188 -2.208 1.00 0.00 O ATOM 1186 OE2 GLU A 74 10.161 19.238 -0.681 1.00 0.00 O ATOM 0 H GLU A 74 4.870 16.106 -1.035 1.00 0.00 H new ATOM 0 HA GLU A 74 7.388 15.649 0.500 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.877 17.081 -1.815 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.743 18.337 -0.600 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.980 17.286 0.370 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.129 16.556 -1.216 1.00 0.00 H new ATOM 1193 N PHE A 75 6.745 16.987 2.516 1.00 0.00 N ATOM 1194 CA PHE A 75 6.266 17.671 3.747 1.00 0.00 C ATOM 1195 C PHE A 75 7.281 18.752 4.140 1.00 0.00 C ATOM 1196 O PHE A 75 8.352 18.820 3.571 1.00 0.00 O ATOM 1197 CB PHE A 75 6.133 16.632 4.866 1.00 0.00 C ATOM 1198 CG PHE A 75 4.686 16.206 4.990 1.00 0.00 C ATOM 1199 CD1 PHE A 75 3.667 17.167 4.959 1.00 0.00 C ATOM 1200 CD2 PHE A 75 4.364 14.850 5.130 1.00 0.00 C ATOM 1201 CE1 PHE A 75 2.328 16.772 5.069 1.00 0.00 C ATOM 1202 CE2 PHE A 75 3.024 14.455 5.239 1.00 0.00 C ATOM 1203 CZ PHE A 75 2.007 15.417 5.209 1.00 0.00 C ATOM 0 H PHE A 75 7.627 16.485 2.614 1.00 0.00 H new ATOM 0 HA PHE A 75 5.297 18.139 3.576 1.00 0.00 H new ATOM 0 HB2 PHE A 75 6.761 15.767 4.650 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.482 17.052 5.810 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.914 18.213 4.850 1.00 0.00 H new ATOM 0 HD2 PHE A 75 5.149 14.109 5.154 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.543 17.513 5.046 1.00 0.00 H new ATOM 0 HE2 PHE A 75 2.776 13.409 5.346 1.00 0.00 H new ATOM 0 HZ PHE A 75 0.974 15.113 5.294 1.00 0.00 H new ATOM 1213 N PRO A 76 6.920 19.568 5.100 1.00 0.00 N ATOM 1214 CA PRO A 76 7.799 20.651 5.576 1.00 0.00 C ATOM 1215 C PRO A 76 9.207 20.112 5.838 1.00 0.00 C ATOM 1216 O PRO A 76 10.191 20.684 5.413 1.00 0.00 O ATOM 1217 CB PRO A 76 7.141 21.139 6.873 1.00 0.00 C ATOM 1218 CG PRO A 76 5.763 20.436 6.990 1.00 0.00 C ATOM 1219 CD PRO A 76 5.624 19.479 5.795 1.00 0.00 C ATOM 0 HA PRO A 76 7.909 21.456 4.850 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.767 20.902 7.733 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.019 22.222 6.857 1.00 0.00 H new ATOM 0 HG2 PRO A 76 5.692 19.888 7.929 1.00 0.00 H new ATOM 0 HG3 PRO A 76 4.958 21.170 6.988 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.419 18.460 6.124 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.802 19.775 5.143 1.00 0.00 H new ATOM 1227 N ASP A 77 9.308 19.009 6.521 1.00 0.00 N ATOM 1228 CA ASP A 77 10.645 18.421 6.799 1.00 0.00 C ATOM 1229 C ASP A 77 10.532 16.905 6.684 1.00 0.00 C ATOM 1230 O ASP A 77 11.186 16.163 7.389 1.00 0.00 O ATOM 1231 CB ASP A 77 11.092 18.800 8.213 1.00 0.00 C ATOM 1232 CG ASP A 77 10.236 18.054 9.239 1.00 0.00 C ATOM 1233 OD1 ASP A 77 9.120 18.485 9.476 1.00 0.00 O ATOM 1234 OD2 ASP A 77 10.711 17.063 9.769 1.00 0.00 O ATOM 0 H ASP A 77 8.518 18.487 6.901 1.00 0.00 H new ATOM 0 HA ASP A 77 11.379 18.799 6.087 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.144 18.551 8.352 1.00 0.00 H new ATOM 0 HB3 ASP A 77 10.998 19.876 8.359 1.00 0.00 H new ATOM 1239 N ARG A 78 9.685 16.442 5.806 1.00 0.00 N ATOM 1240 CA ARG A 78 9.501 14.977 5.648 1.00 0.00 C ATOM 1241 C ARG A 78 9.353 14.616 4.166 1.00 0.00 C ATOM 1242 O ARG A 78 8.265 14.618 3.625 1.00 0.00 O ATOM 1243 CB ARG A 78 8.235 14.557 6.396 1.00 0.00 C ATOM 1244 CG ARG A 78 8.604 13.628 7.552 1.00 0.00 C ATOM 1245 CD ARG A 78 9.330 14.429 8.636 1.00 0.00 C ATOM 1246 NE ARG A 78 8.579 14.340 9.923 1.00 0.00 N ATOM 1247 CZ ARG A 78 7.274 14.330 9.923 1.00 0.00 C ATOM 1248 NH1 ARG A 78 6.614 15.140 9.140 1.00 0.00 N ATOM 1249 NH2 ARG A 78 6.629 13.507 10.704 1.00 0.00 N ATOM 0 H ARG A 78 9.112 17.019 5.191 1.00 0.00 H new ATOM 0 HA ARG A 78 10.371 14.459 6.052 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.716 15.437 6.776 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.550 14.052 5.715 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.706 13.168 7.964 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.241 12.819 7.194 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.342 14.045 8.768 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.422 15.471 8.330 1.00 0.00 H new ATOM 0 HE ARG A 78 9.088 14.287 10.806 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.118 15.781 8.528 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.594 15.132 9.141 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.145 12.872 11.314 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.609 13.498 10.705 1.00 0.00 H new ATOM 1263 N HIS A 79 10.432 14.277 3.513 1.00 0.00 N ATOM 1264 CA HIS A 79 10.339 13.884 2.078 1.00 0.00 C ATOM 1265 C HIS A 79 9.930 12.411 2.025 1.00 0.00 C ATOM 1266 O HIS A 79 10.760 11.527 2.106 1.00 0.00 O ATOM 1267 CB HIS A 79 11.704 14.062 1.406 1.00 0.00 C ATOM 1268 CG HIS A 79 11.983 15.526 1.201 1.00 0.00 C ATOM 1269 ND1 HIS A 79 12.965 15.974 0.332 1.00 0.00 N ATOM 1270 CD2 HIS A 79 11.422 16.655 1.747 1.00 0.00 C ATOM 1271 CE1 HIS A 79 12.967 17.319 0.379 1.00 0.00 C ATOM 1272 NE2 HIS A 79 12.045 17.786 1.226 1.00 0.00 N ATOM 0 H HIS A 79 11.371 14.255 3.910 1.00 0.00 H new ATOM 0 HA HIS A 79 9.609 14.504 1.558 1.00 0.00 H new ATOM 0 HB2 HIS A 79 12.484 13.616 2.023 1.00 0.00 H new ATOM 0 HB3 HIS A 79 11.719 13.542 0.448 1.00 0.00 H new ATOM 0 HD2 HIS A 79 10.620 16.664 2.470 1.00 0.00 H new ATOM 0 HE1 HIS A 79 13.632 17.944 -0.197 1.00 0.00 H new ATOM 0 HE2 HIS A 79 11.841 18.761 1.444 1.00 0.00 H new ATOM 1280 N ILE A 80 8.657 12.136 1.932 1.00 0.00 N ATOM 1281 CA ILE A 80 8.207 10.714 1.925 1.00 0.00 C ATOM 1282 C ILE A 80 7.967 10.214 0.496 1.00 0.00 C ATOM 1283 O ILE A 80 7.812 10.977 -0.438 1.00 0.00 O ATOM 1284 CB ILE A 80 6.895 10.587 2.720 1.00 0.00 C ATOM 1285 CG1 ILE A 80 7.134 10.753 4.234 1.00 0.00 C ATOM 1286 CG2 ILE A 80 6.293 9.205 2.467 1.00 0.00 C ATOM 1287 CD1 ILE A 80 8.387 11.591 4.508 1.00 0.00 C ATOM 0 H ILE A 80 7.913 12.830 1.861 1.00 0.00 H new ATOM 0 HA ILE A 80 8.991 10.110 2.381 1.00 0.00 H new ATOM 0 HB ILE A 80 6.218 11.375 2.389 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.267 11.230 4.692 1.00 0.00 H new ATOM 0 HG13 ILE A 80 7.240 9.772 4.698 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.363 9.105 3.026 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.091 9.085 1.403 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.995 8.437 2.792 1.00 0.00 H new ATOM 0 HD11 ILE A 80 8.530 11.691 5.584 1.00 0.00 H new ATOM 0 HD12 ILE A 80 9.256 11.100 4.071 1.00 0.00 H new ATOM 0 HD13 ILE A 80 8.268 12.580 4.065 1.00 0.00 H new ATOM 1299 N THR A 81 7.901 8.917 0.350 1.00 0.00 N ATOM 1300 CA THR A 81 7.632 8.296 -0.972 1.00 0.00 C ATOM 1301 C THR A 81 6.697 7.114 -0.728 1.00 0.00 C ATOM 1302 O THR A 81 6.479 6.721 0.401 1.00 0.00 O ATOM 1303 CB THR A 81 8.937 7.791 -1.588 1.00 0.00 C ATOM 1304 OG1 THR A 81 10.002 8.658 -1.219 1.00 0.00 O ATOM 1305 CG2 THR A 81 8.803 7.757 -3.112 1.00 0.00 C ATOM 0 H THR A 81 8.026 8.250 1.112 1.00 0.00 H new ATOM 0 HA THR A 81 7.187 9.020 -1.654 1.00 0.00 H new ATOM 0 HB THR A 81 9.147 6.786 -1.223 1.00 0.00 H new ATOM 0 HG1 THR A 81 10.235 8.508 -0.279 1.00 0.00 H new ATOM 0 HG21 THR A 81 9.733 7.397 -3.551 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.988 7.089 -3.391 1.00 0.00 H new ATOM 0 HG23 THR A 81 8.592 8.761 -3.481 1.00 0.00 H new ATOM 1313 N LEU A 82 6.134 6.538 -1.748 1.00 0.00 N ATOM 1314 CA LEU A 82 5.221 5.389 -1.502 1.00 0.00 C ATOM 1315 C LEU A 82 5.108 4.515 -2.751 1.00 0.00 C ATOM 1316 O LEU A 82 4.199 4.660 -3.542 1.00 0.00 O ATOM 1317 CB LEU A 82 3.840 5.920 -1.119 1.00 0.00 C ATOM 1318 CG LEU A 82 3.231 5.025 -0.040 1.00 0.00 C ATOM 1319 CD1 LEU A 82 3.155 5.797 1.279 1.00 0.00 C ATOM 1320 CD2 LEU A 82 1.823 4.602 -0.465 1.00 0.00 C ATOM 0 H LEU A 82 6.261 6.805 -2.724 1.00 0.00 H new ATOM 0 HA LEU A 82 5.624 4.782 -0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.921 6.944 -0.754 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.192 5.944 -1.995 1.00 0.00 H new ATOM 0 HG LEU A 82 3.853 4.140 0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.721 5.160 2.049 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.157 6.100 1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.533 6.682 1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.387 3.964 0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.201 5.488 -0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.876 4.053 -1.405 1.00 0.00 H new ATOM 1332 N TRP A 83 6.020 3.596 -2.926 1.00 0.00 N ATOM 1333 CA TRP A 83 5.950 2.699 -4.122 1.00 0.00 C ATOM 1334 C TRP A 83 4.616 1.947 -4.117 1.00 0.00 C ATOM 1335 O TRP A 83 4.263 1.307 -3.149 1.00 0.00 O ATOM 1336 CB TRP A 83 7.090 1.683 -4.069 1.00 0.00 C ATOM 1337 CG TRP A 83 8.390 2.388 -4.255 1.00 0.00 C ATOM 1338 CD1 TRP A 83 9.031 3.096 -3.300 1.00 0.00 C ATOM 1339 CD2 TRP A 83 9.216 2.465 -5.450 1.00 0.00 C ATOM 1340 NE1 TRP A 83 10.201 3.606 -3.834 1.00 0.00 N ATOM 1341 CE2 TRP A 83 10.360 3.242 -5.158 1.00 0.00 C ATOM 1342 CE3 TRP A 83 9.085 1.939 -6.748 1.00 0.00 C ATOM 1343 CZ2 TRP A 83 11.340 3.490 -6.120 1.00 0.00 C ATOM 1344 CZ3 TRP A 83 10.068 2.185 -7.719 1.00 0.00 C ATOM 1345 CH2 TRP A 83 11.194 2.959 -7.405 1.00 0.00 C ATOM 0 H TRP A 83 6.806 3.426 -2.299 1.00 0.00 H new ATOM 0 HA TRP A 83 6.035 3.301 -5.027 1.00 0.00 H new ATOM 0 HB2 TRP A 83 7.081 1.159 -3.113 1.00 0.00 H new ATOM 0 HB3 TRP A 83 6.957 0.930 -4.846 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.687 3.240 -2.286 1.00 0.00 H new ATOM 0 HE1 TRP A 83 10.865 4.180 -3.314 1.00 0.00 H new ATOM 0 HE3 TRP A 83 8.221 1.341 -6.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 12.205 4.088 -5.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 9.957 1.776 -8.712 1.00 0.00 H new ATOM 0 HH2 TRP A 83 11.948 3.145 -8.155 1.00 0.00 H new ATOM 1356 N PHE A 84 3.874 2.014 -5.189 1.00 0.00 N ATOM 1357 CA PHE A 84 2.568 1.296 -5.234 1.00 0.00 C ATOM 1358 C PHE A 84 2.713 0.006 -6.033 1.00 0.00 C ATOM 1359 O PHE A 84 2.190 -0.116 -7.118 1.00 0.00 O ATOM 1360 CB PHE A 84 1.517 2.177 -5.907 1.00 0.00 C ATOM 1361 CG PHE A 84 0.888 3.069 -4.864 1.00 0.00 C ATOM 1362 CD1 PHE A 84 1.533 4.244 -4.460 1.00 0.00 C ATOM 1363 CD2 PHE A 84 -0.337 2.709 -4.289 1.00 0.00 C ATOM 1364 CE1 PHE A 84 0.950 5.060 -3.483 1.00 0.00 C ATOM 1365 CE2 PHE A 84 -0.918 3.525 -3.311 1.00 0.00 C ATOM 1366 CZ PHE A 84 -0.274 4.700 -2.908 1.00 0.00 C ATOM 0 H PHE A 84 4.115 2.533 -6.033 1.00 0.00 H new ATOM 0 HA PHE A 84 2.259 1.065 -4.215 1.00 0.00 H new ATOM 0 HB2 PHE A 84 1.976 2.779 -6.691 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.756 1.559 -6.384 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.479 4.521 -4.901 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.834 1.802 -4.600 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.445 5.968 -3.173 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.863 3.248 -2.868 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.722 5.329 -2.153 1.00 0.00 H new ATOM 1376 N TRP A 85 3.399 -0.968 -5.507 1.00 0.00 N ATOM 1377 CA TRP A 85 3.546 -2.241 -6.258 1.00 0.00 C ATOM 1378 C TRP A 85 2.223 -3.009 -6.200 1.00 0.00 C ATOM 1379 O TRP A 85 1.968 -3.770 -5.287 1.00 0.00 O ATOM 1380 CB TRP A 85 4.686 -3.064 -5.651 1.00 0.00 C ATOM 1381 CG TRP A 85 5.979 -2.421 -6.038 1.00 0.00 C ATOM 1382 CD1 TRP A 85 6.705 -1.596 -5.250 1.00 0.00 C ATOM 1383 CD2 TRP A 85 6.696 -2.516 -7.302 1.00 0.00 C ATOM 1384 NE1 TRP A 85 7.818 -1.171 -5.954 1.00 0.00 N ATOM 1385 CE2 TRP A 85 7.858 -1.713 -7.224 1.00 0.00 C ATOM 1386 CE3 TRP A 85 6.451 -3.213 -8.498 1.00 0.00 C ATOM 1387 CZ2 TRP A 85 8.743 -1.603 -8.299 1.00 0.00 C ATOM 1388 CZ3 TRP A 85 7.342 -3.107 -9.579 1.00 0.00 C ATOM 1389 CH2 TRP A 85 8.483 -2.301 -9.480 1.00 0.00 C ATOM 0 H TRP A 85 3.860 -0.938 -4.598 1.00 0.00 H new ATOM 0 HA TRP A 85 3.789 -2.039 -7.301 1.00 0.00 H new ATOM 0 HB2 TRP A 85 4.591 -3.104 -4.566 1.00 0.00 H new ATOM 0 HB3 TRP A 85 4.648 -4.092 -6.013 1.00 0.00 H new ATOM 0 HD1 TRP A 85 6.457 -1.315 -4.237 1.00 0.00 H new ATOM 0 HE1 TRP A 85 8.523 -0.535 -5.581 1.00 0.00 H new ATOM 0 HE3 TRP A 85 5.572 -3.834 -8.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 9.623 -0.982 -8.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 7.146 -3.650 -10.492 1.00 0.00 H new ATOM 0 HH2 TRP A 85 9.161 -2.219 -10.316 1.00 0.00 H new ATOM 1400 N LEU A 86 1.366 -2.795 -7.162 1.00 0.00 N ATOM 1401 CA LEU A 86 0.051 -3.492 -7.154 1.00 0.00 C ATOM 1402 C LEU A 86 0.224 -4.962 -7.519 1.00 0.00 C ATOM 1403 O LEU A 86 0.783 -5.304 -8.540 1.00 0.00 O ATOM 1404 CB LEU A 86 -0.889 -2.837 -8.166 1.00 0.00 C ATOM 1405 CG LEU A 86 -1.661 -1.709 -7.488 1.00 0.00 C ATOM 1406 CD1 LEU A 86 -2.356 -2.240 -6.232 1.00 0.00 C ATOM 1407 CD2 LEU A 86 -0.686 -0.592 -7.109 1.00 0.00 C ATOM 0 H LEU A 86 1.521 -2.168 -7.952 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.371 -3.417 -6.152 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.318 -2.446 -9.008 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.582 -3.577 -8.566 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.415 -1.319 -8.171 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.906 -1.431 -5.751 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.048 -3.036 -6.508 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.609 -2.632 -5.541 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.231 0.218 -6.624 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.067 -0.983 -6.425 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.199 -0.214 -8.008 1.00 0.00 H new ATOM 1419 N VAL A 87 -0.275 -5.829 -6.692 1.00 0.00 N ATOM 1420 CA VAL A 87 -0.167 -7.289 -6.982 1.00 0.00 C ATOM 1421 C VAL A 87 -1.584 -7.815 -7.273 1.00 0.00 C ATOM 1422 O VAL A 87 -2.554 -7.112 -7.071 1.00 0.00 O ATOM 1423 CB VAL A 87 0.485 -8.014 -5.777 1.00 0.00 C ATOM 1424 CG1 VAL A 87 1.110 -6.984 -4.827 1.00 0.00 C ATOM 1425 CG2 VAL A 87 -0.553 -8.843 -5.007 1.00 0.00 C ATOM 0 H VAL A 87 -0.756 -5.594 -5.823 1.00 0.00 H new ATOM 0 HA VAL A 87 0.467 -7.476 -7.849 1.00 0.00 H new ATOM 0 HB VAL A 87 1.255 -8.683 -6.161 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.567 -7.499 -3.982 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.871 -6.413 -5.359 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.336 -6.307 -4.464 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.070 -9.341 -4.167 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.340 -8.187 -4.636 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.987 -9.590 -5.671 1.00 0.00 H new ATOM 1435 N GLU A 88 -1.728 -9.022 -7.764 1.00 0.00 N ATOM 1436 CA GLU A 88 -3.111 -9.509 -8.067 1.00 0.00 C ATOM 1437 C GLU A 88 -3.259 -11.035 -7.909 1.00 0.00 C ATOM 1438 O GLU A 88 -4.215 -11.607 -8.395 1.00 0.00 O ATOM 1439 CB GLU A 88 -3.473 -9.120 -9.503 1.00 0.00 C ATOM 1440 CG GLU A 88 -3.561 -7.596 -9.618 1.00 0.00 C ATOM 1441 CD GLU A 88 -4.192 -7.221 -10.961 1.00 0.00 C ATOM 1442 OE1 GLU A 88 -4.089 -8.013 -11.883 1.00 0.00 O ATOM 1443 OE2 GLU A 88 -4.767 -6.148 -11.044 1.00 0.00 O ATOM 0 H GLU A 88 -0.971 -9.676 -7.964 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.783 -9.042 -7.347 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.723 -9.504 -10.194 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.425 -9.571 -9.783 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.157 -7.193 -8.799 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.567 -7.156 -9.536 1.00 0.00 H new ATOM 1450 N ARG A 89 -2.365 -11.710 -7.232 1.00 0.00 N ATOM 1451 CA ARG A 89 -2.548 -13.191 -7.072 1.00 0.00 C ATOM 1452 C ARG A 89 -1.724 -13.710 -5.891 1.00 0.00 C ATOM 1453 O ARG A 89 -0.787 -14.456 -6.044 1.00 0.00 O ATOM 1454 CB ARG A 89 -2.162 -13.923 -8.371 1.00 0.00 C ATOM 1455 CG ARG A 89 -0.642 -14.057 -8.498 1.00 0.00 C ATOM 1456 CD ARG A 89 -0.234 -15.520 -8.292 1.00 0.00 C ATOM 1457 NE ARG A 89 -0.474 -16.279 -9.552 1.00 0.00 N ATOM 1458 CZ ARG A 89 0.043 -17.468 -9.709 1.00 0.00 C ATOM 1459 NH1 ARG A 89 -0.126 -18.376 -8.789 1.00 0.00 N ATOM 1460 NH2 ARG A 89 0.729 -17.748 -10.783 1.00 0.00 N ATOM 0 H ARG A 89 -1.534 -11.315 -6.791 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.600 -13.390 -6.866 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.620 -14.912 -8.384 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -2.555 -13.378 -9.229 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.318 -13.714 -9.480 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.148 -13.424 -7.760 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.818 -15.581 -8.012 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -0.807 -15.958 -7.475 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.043 -15.869 -10.293 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.661 -18.157 -7.949 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.277 -19.305 -8.910 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.863 -17.037 -11.502 1.00 0.00 H new ATOM 0 HH22 ARG A 89 1.132 -18.677 -10.903 1.00 0.00 H new ATOM 1474 N TRP A 90 -2.076 -13.335 -4.698 1.00 0.00 N ATOM 1475 CA TRP A 90 -1.309 -13.831 -3.526 1.00 0.00 C ATOM 1476 C TRP A 90 -1.774 -15.241 -3.167 1.00 0.00 C ATOM 1477 O TRP A 90 -2.819 -15.691 -3.593 1.00 0.00 O ATOM 1478 CB TRP A 90 -1.522 -12.897 -2.333 1.00 0.00 C ATOM 1479 CG TRP A 90 -2.952 -12.946 -1.876 1.00 0.00 C ATOM 1480 CD1 TRP A 90 -3.586 -14.054 -1.418 1.00 0.00 C ATOM 1481 CD2 TRP A 90 -3.929 -11.863 -1.799 1.00 0.00 C ATOM 1482 NE1 TRP A 90 -4.884 -13.723 -1.083 1.00 0.00 N ATOM 1483 CE2 TRP A 90 -5.144 -12.389 -1.296 1.00 0.00 C ATOM 1484 CE3 TRP A 90 -3.886 -10.494 -2.116 1.00 0.00 C ATOM 1485 CZ2 TRP A 90 -6.272 -11.589 -1.112 1.00 0.00 C ATOM 1486 CZ3 TRP A 90 -5.023 -9.687 -1.928 1.00 0.00 C ATOM 1487 CH2 TRP A 90 -6.211 -10.234 -1.427 1.00 0.00 C ATOM 0 H TRP A 90 -2.855 -12.712 -4.483 1.00 0.00 H new ATOM 0 HA TRP A 90 -0.248 -13.854 -3.776 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -0.862 -13.186 -1.515 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -1.257 -11.877 -2.610 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -3.147 -15.037 -1.330 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -5.568 -14.388 -0.721 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -2.977 -10.060 -2.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -7.186 -12.018 -0.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -4.979 -8.636 -2.172 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -7.078 -9.606 -1.285 1.00 0.00 H new ATOM 1498 N GLU A 91 -1.011 -15.935 -2.371 1.00 0.00 N ATOM 1499 CA GLU A 91 -1.410 -17.311 -1.961 1.00 0.00 C ATOM 1500 C GLU A 91 -2.424 -17.203 -0.821 1.00 0.00 C ATOM 1501 O GLU A 91 -2.281 -16.368 0.041 1.00 0.00 O ATOM 1502 CB GLU A 91 -0.150 -18.074 -1.499 1.00 0.00 C ATOM 1503 CG GLU A 91 -0.400 -18.856 -0.192 1.00 0.00 C ATOM 1504 CD GLU A 91 -1.239 -20.101 -0.490 1.00 0.00 C ATOM 1505 OE1 GLU A 91 -1.136 -20.613 -1.593 1.00 0.00 O ATOM 1506 OE2 GLU A 91 -1.968 -20.523 0.392 1.00 0.00 O ATOM 0 H GLU A 91 -0.125 -15.608 -1.985 1.00 0.00 H new ATOM 0 HA GLU A 91 -1.865 -17.851 -2.792 1.00 0.00 H new ATOM 0 HB2 GLU A 91 0.164 -18.765 -2.281 1.00 0.00 H new ATOM 0 HB3 GLU A 91 0.668 -17.369 -1.350 1.00 0.00 H new ATOM 0 HG2 GLU A 91 0.550 -19.145 0.258 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.915 -18.222 0.530 1.00 0.00 H new ATOM 1513 N GLY A 92 -3.416 -18.063 -0.811 1.00 0.00 N ATOM 1514 CA GLY A 92 -4.450 -18.065 0.278 1.00 0.00 C ATOM 1515 C GLY A 92 -4.631 -16.671 0.890 1.00 0.00 C ATOM 1516 O GLY A 92 -5.558 -15.957 0.568 1.00 0.00 O ATOM 0 H GLY A 92 -3.556 -18.778 -1.525 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.402 -18.412 -0.124 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -4.157 -18.769 1.057 1.00 0.00 H new ATOM 1520 N GLU A 93 -3.755 -16.287 1.779 1.00 0.00 N ATOM 1521 CA GLU A 93 -3.865 -14.950 2.421 1.00 0.00 C ATOM 1522 C GLU A 93 -2.883 -13.974 1.753 1.00 0.00 C ATOM 1523 O GLU A 93 -1.865 -14.381 1.241 1.00 0.00 O ATOM 1524 CB GLU A 93 -3.527 -15.088 3.906 1.00 0.00 C ATOM 1525 CG GLU A 93 -2.326 -16.020 4.075 1.00 0.00 C ATOM 1526 CD GLU A 93 -2.816 -17.451 4.306 1.00 0.00 C ATOM 1527 OE1 GLU A 93 -3.730 -17.624 5.094 1.00 0.00 O ATOM 1528 OE2 GLU A 93 -2.269 -18.351 3.689 1.00 0.00 O ATOM 0 H GLU A 93 -2.962 -16.849 2.089 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.879 -14.565 2.307 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.303 -14.109 4.331 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.386 -15.483 4.449 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.694 -15.980 3.188 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.715 -15.694 4.917 1.00 0.00 H new ATOM 1535 N PRO A 94 -3.229 -12.711 1.772 1.00 0.00 N ATOM 1536 CA PRO A 94 -2.397 -11.645 1.173 1.00 0.00 C ATOM 1537 C PRO A 94 -1.165 -11.359 2.040 1.00 0.00 C ATOM 1538 O PRO A 94 -0.747 -12.171 2.842 1.00 0.00 O ATOM 1539 CB PRO A 94 -3.306 -10.413 1.168 1.00 0.00 C ATOM 1540 CG PRO A 94 -4.535 -10.743 2.044 1.00 0.00 C ATOM 1541 CD PRO A 94 -4.486 -12.243 2.374 1.00 0.00 C ATOM 0 HA PRO A 94 -2.036 -11.922 0.183 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -2.777 -9.544 1.560 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -3.614 -10.167 0.152 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -4.523 -10.150 2.958 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -5.457 -10.497 1.517 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -4.498 -12.413 3.451 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.345 -12.769 1.958 1.00 0.00 H new ATOM 1549 N TRP A 95 -0.598 -10.190 1.888 1.00 0.00 N ATOM 1550 CA TRP A 95 0.590 -9.810 2.698 1.00 0.00 C ATOM 1551 C TRP A 95 1.084 -8.421 2.275 1.00 0.00 C ATOM 1552 O TRP A 95 1.567 -8.229 1.182 1.00 0.00 O ATOM 1553 CB TRP A 95 1.703 -10.846 2.508 1.00 0.00 C ATOM 1554 CG TRP A 95 2.190 -10.870 1.090 1.00 0.00 C ATOM 1555 CD1 TRP A 95 1.507 -10.438 0.002 1.00 0.00 C ATOM 1556 CD2 TRP A 95 3.461 -11.373 0.597 1.00 0.00 C ATOM 1557 NE1 TRP A 95 2.294 -10.628 -1.123 1.00 0.00 N ATOM 1558 CE2 TRP A 95 3.505 -11.212 -0.805 1.00 0.00 C ATOM 1559 CE3 TRP A 95 4.573 -11.950 1.233 1.00 0.00 C ATOM 1560 CZ2 TRP A 95 4.617 -11.611 -1.549 1.00 0.00 C ATOM 1561 CZ3 TRP A 95 5.688 -12.354 0.485 1.00 0.00 C ATOM 1562 CH2 TRP A 95 5.711 -12.185 -0.902 1.00 0.00 C ATOM 0 H TRP A 95 -0.913 -9.478 1.230 1.00 0.00 H new ATOM 0 HA TRP A 95 0.312 -9.781 3.751 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.533 -10.617 3.176 1.00 0.00 H new ATOM 0 HB3 TRP A 95 1.334 -11.834 2.785 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.513 -10.015 0.010 1.00 0.00 H new ATOM 0 HE1 TRP A 95 2.014 -10.369 -2.069 1.00 0.00 H new ATOM 0 HE3 TRP A 95 4.569 -12.083 2.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.630 -11.476 -2.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 6.536 -12.799 0.985 1.00 0.00 H new ATOM 0 HH2 TRP A 95 6.574 -12.498 -1.471 1.00 0.00 H new ATOM 1573 N GLY A 96 0.968 -7.441 3.130 1.00 0.00 N ATOM 1574 CA GLY A 96 1.441 -6.078 2.749 1.00 0.00 C ATOM 1575 C GLY A 96 1.085 -5.066 3.839 1.00 0.00 C ATOM 1576 O GLY A 96 1.865 -4.193 4.163 1.00 0.00 O ATOM 0 H GLY A 96 0.571 -7.522 4.066 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.520 -6.091 2.594 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.987 -5.779 1.804 1.00 0.00 H new ATOM 1580 N LYS A 97 -0.087 -5.165 4.402 1.00 0.00 N ATOM 1581 CA LYS A 97 -0.483 -4.196 5.462 1.00 0.00 C ATOM 1582 C LYS A 97 0.683 -4.000 6.437 1.00 0.00 C ATOM 1583 O LYS A 97 1.185 -4.941 7.018 1.00 0.00 O ATOM 1584 CB LYS A 97 -1.725 -4.726 6.203 1.00 0.00 C ATOM 1585 CG LYS A 97 -1.323 -5.648 7.361 1.00 0.00 C ATOM 1586 CD LYS A 97 -0.669 -6.918 6.809 1.00 0.00 C ATOM 1587 CE LYS A 97 -0.403 -7.921 7.946 1.00 0.00 C ATOM 1588 NZ LYS A 97 -0.789 -7.334 9.264 1.00 0.00 N ATOM 0 H LYS A 97 -0.786 -5.873 4.175 1.00 0.00 H new ATOM 0 HA LYS A 97 -0.728 -3.234 5.012 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.309 -3.889 6.586 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.364 -5.269 5.507 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.631 -5.131 8.026 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.201 -5.908 7.953 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.317 -7.372 6.059 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.267 -6.666 6.311 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.967 -8.837 7.770 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.652 -8.194 7.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.603 -8.024 10.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.232 -6.473 9.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.801 -7.096 9.255 1.00 0.00 H new ATOM 1602 N GLU A 98 1.117 -2.787 6.635 1.00 0.00 N ATOM 1603 CA GLU A 98 2.237 -2.564 7.588 1.00 0.00 C ATOM 1604 C GLU A 98 1.678 -2.713 9.006 1.00 0.00 C ATOM 1605 O GLU A 98 1.272 -3.787 9.403 1.00 0.00 O ATOM 1606 CB GLU A 98 2.822 -1.169 7.377 1.00 0.00 C ATOM 1607 CG GLU A 98 4.061 -0.981 8.267 1.00 0.00 C ATOM 1608 CD GLU A 98 4.913 -2.257 8.263 1.00 0.00 C ATOM 1609 OE1 GLU A 98 5.536 -2.532 7.249 1.00 0.00 O ATOM 1610 OE2 GLU A 98 4.929 -2.937 9.276 1.00 0.00 O ATOM 0 H GLU A 98 0.749 -1.950 6.184 1.00 0.00 H new ATOM 0 HA GLU A 98 3.036 -3.288 7.428 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.092 -1.033 6.330 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.075 -0.412 7.615 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.652 -0.139 7.907 1.00 0.00 H new ATOM 0 HG3 GLU A 98 3.754 -0.743 9.285 1.00 0.00 H new ATOM 1617 N GLY A 99 1.603 -1.652 9.763 1.00 0.00 N ATOM 1618 CA GLY A 99 1.014 -1.763 11.118 1.00 0.00 C ATOM 1619 C GLY A 99 -0.499 -1.556 10.992 1.00 0.00 C ATOM 1620 O GLY A 99 -1.200 -1.367 11.966 1.00 0.00 O ATOM 0 H GLY A 99 1.923 -0.720 9.499 1.00 0.00 H new ATOM 0 HA2 GLY A 99 1.231 -2.740 11.549 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.447 -1.017 11.785 1.00 0.00 H new ATOM 1624 N GLN A 100 -0.997 -1.581 9.779 1.00 0.00 N ATOM 1625 CA GLN A 100 -2.451 -1.377 9.536 1.00 0.00 C ATOM 1626 C GLN A 100 -3.161 -2.740 9.498 1.00 0.00 C ATOM 1627 O GLN A 100 -2.513 -3.767 9.481 1.00 0.00 O ATOM 1628 CB GLN A 100 -2.602 -0.647 8.193 1.00 0.00 C ATOM 1629 CG GLN A 100 -2.579 -1.647 7.034 1.00 0.00 C ATOM 1630 CD GLN A 100 -2.799 -0.904 5.715 1.00 0.00 C ATOM 1631 OE1 GLN A 100 -2.345 0.210 5.549 1.00 0.00 O ATOM 1632 NE2 GLN A 100 -3.481 -1.479 4.764 1.00 0.00 N ATOM 0 H GLN A 100 -0.444 -1.737 8.936 1.00 0.00 H new ATOM 0 HA GLN A 100 -2.902 -0.784 10.332 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -3.537 -0.087 8.180 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -1.796 0.077 8.073 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -1.625 -2.173 7.013 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -3.355 -2.400 7.174 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.862 -2.415 4.904 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.633 -0.993 3.880 1.00 0.00 H new ATOM 1641 N PRO A 101 -4.472 -2.710 9.492 1.00 0.00 N ATOM 1642 CA PRO A 101 -5.281 -3.940 9.463 1.00 0.00 C ATOM 1643 C PRO A 101 -5.130 -4.642 8.113 1.00 0.00 C ATOM 1644 O PRO A 101 -4.906 -5.833 8.043 1.00 0.00 O ATOM 1645 CB PRO A 101 -6.729 -3.466 9.642 1.00 0.00 C ATOM 1646 CG PRO A 101 -6.714 -1.917 9.680 1.00 0.00 C ATOM 1647 CD PRO A 101 -5.253 -1.461 9.516 1.00 0.00 C ATOM 0 HA PRO A 101 -4.976 -4.648 10.234 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.353 -3.823 8.822 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -7.152 -3.867 10.563 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -7.334 -1.508 8.882 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -7.125 -1.553 10.622 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -5.117 -0.891 8.597 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -4.944 -0.817 10.339 1.00 0.00 H new ATOM 1655 N GLY A 102 -5.271 -3.911 7.040 1.00 0.00 N ATOM 1656 CA GLY A 102 -5.158 -4.537 5.696 1.00 0.00 C ATOM 1657 C GLY A 102 -6.241 -5.605 5.565 1.00 0.00 C ATOM 1658 O GLY A 102 -6.274 -6.558 6.316 1.00 0.00 O ATOM 0 H GLY A 102 -5.459 -2.909 7.038 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.273 -3.784 4.917 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.171 -4.981 5.567 1.00 0.00 H new ATOM 1662 N GLU A 103 -7.136 -5.458 4.630 1.00 0.00 N ATOM 1663 CA GLU A 103 -8.209 -6.484 4.485 1.00 0.00 C ATOM 1664 C GLU A 103 -8.780 -6.461 3.072 1.00 0.00 C ATOM 1665 O GLU A 103 -8.899 -5.422 2.453 1.00 0.00 O ATOM 1666 CB GLU A 103 -9.336 -6.208 5.484 1.00 0.00 C ATOM 1667 CG GLU A 103 -9.667 -4.715 5.502 1.00 0.00 C ATOM 1668 CD GLU A 103 -10.390 -4.373 6.807 1.00 0.00 C ATOM 1669 OE1 GLU A 103 -11.543 -4.749 6.938 1.00 0.00 O ATOM 1670 OE2 GLU A 103 -9.779 -3.742 7.653 1.00 0.00 O ATOM 0 H GLU A 103 -7.174 -4.684 3.967 1.00 0.00 H new ATOM 0 HA GLU A 103 -7.775 -7.464 4.682 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.222 -6.782 5.212 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -9.038 -6.535 6.480 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -8.753 -4.127 5.414 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.294 -4.459 4.648 1.00 0.00 H new ATOM 1677 N TRP A 104 -9.149 -7.603 2.562 1.00 0.00 N ATOM 1678 CA TRP A 104 -9.729 -7.646 1.194 1.00 0.00 C ATOM 1679 C TRP A 104 -10.809 -6.573 1.106 1.00 0.00 C ATOM 1680 O TRP A 104 -11.614 -6.420 2.004 1.00 0.00 O ATOM 1681 CB TRP A 104 -10.345 -9.024 0.927 1.00 0.00 C ATOM 1682 CG TRP A 104 -9.482 -10.085 1.540 1.00 0.00 C ATOM 1683 CD1 TRP A 104 -8.144 -10.193 1.365 1.00 0.00 C ATOM 1684 CD2 TRP A 104 -9.868 -11.180 2.423 1.00 0.00 C ATOM 1685 NE1 TRP A 104 -7.685 -11.284 2.084 1.00 0.00 N ATOM 1686 CE2 TRP A 104 -8.710 -11.925 2.751 1.00 0.00 C ATOM 1687 CE3 TRP A 104 -11.098 -11.595 2.965 1.00 0.00 C ATOM 1688 CZ2 TRP A 104 -8.770 -13.042 3.587 1.00 0.00 C ATOM 1689 CZ3 TRP A 104 -11.162 -12.718 3.807 1.00 0.00 C ATOM 1690 CH2 TRP A 104 -10.002 -13.440 4.116 1.00 0.00 C ATOM 0 H TRP A 104 -9.074 -8.505 3.033 1.00 0.00 H new ATOM 0 HA TRP A 104 -8.952 -7.466 0.451 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -11.350 -9.072 1.345 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -10.438 -9.191 -0.146 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -7.534 -9.536 0.763 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -6.709 -11.578 2.117 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -11.999 -11.047 2.732 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -7.872 -13.594 3.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -12.112 -13.027 4.219 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -10.059 -14.303 4.762 1.00 0.00 H new ATOM 1701 N MET A 105 -10.834 -5.820 0.047 1.00 0.00 N ATOM 1702 CA MET A 105 -11.862 -4.755 -0.070 1.00 0.00 C ATOM 1703 C MET A 105 -12.554 -4.864 -1.419 1.00 0.00 C ATOM 1704 O MET A 105 -11.955 -4.634 -2.445 1.00 0.00 O ATOM 1705 CB MET A 105 -11.193 -3.382 0.041 1.00 0.00 C ATOM 1706 CG MET A 105 -12.215 -2.357 0.531 1.00 0.00 C ATOM 1707 SD MET A 105 -13.233 -1.808 -0.861 1.00 0.00 S ATOM 1708 CE MET A 105 -14.627 -1.184 0.110 1.00 0.00 C ATOM 0 H MET A 105 -10.190 -5.895 -0.740 1.00 0.00 H new ATOM 0 HA MET A 105 -12.594 -4.872 0.729 1.00 0.00 H new ATOM 0 HB2 MET A 105 -10.351 -3.430 0.731 1.00 0.00 H new ATOM 0 HB3 MET A 105 -10.795 -3.080 -0.928 1.00 0.00 H new ATOM 0 HG2 MET A 105 -12.844 -2.796 1.305 1.00 0.00 H new ATOM 0 HG3 MET A 105 -11.705 -1.505 0.981 1.00 0.00 H new ATOM 0 HE1 MET A 105 -15.557 -1.369 -0.428 1.00 0.00 H new ATOM 0 HE2 MET A 105 -14.657 -1.694 1.073 1.00 0.00 H new ATOM 0 HE3 MET A 105 -14.508 -0.112 0.271 1.00 0.00 H new ATOM 1718 N SER A 106 -13.811 -5.206 -1.424 1.00 0.00 N ATOM 1719 CA SER A 106 -14.545 -5.312 -2.711 1.00 0.00 C ATOM 1720 C SER A 106 -14.910 -3.898 -3.175 1.00 0.00 C ATOM 1721 O SER A 106 -16.049 -3.480 -3.098 1.00 0.00 O ATOM 1722 CB SER A 106 -15.819 -6.134 -2.509 1.00 0.00 C ATOM 1723 OG SER A 106 -16.724 -5.864 -3.571 1.00 0.00 O ATOM 0 H SER A 106 -14.361 -5.417 -0.591 1.00 0.00 H new ATOM 0 HA SER A 106 -13.924 -5.804 -3.460 1.00 0.00 H new ATOM 0 HB2 SER A 106 -15.579 -7.197 -2.481 1.00 0.00 H new ATOM 0 HB3 SER A 106 -16.278 -5.886 -1.552 1.00 0.00 H new ATOM 0 HG SER A 106 -17.021 -4.931 -3.519 1.00 0.00 H new ATOM 1729 N LEU A 107 -13.942 -3.155 -3.639 1.00 0.00 N ATOM 1730 CA LEU A 107 -14.200 -1.764 -4.094 1.00 0.00 C ATOM 1731 C LEU A 107 -14.776 -1.781 -5.508 1.00 0.00 C ATOM 1732 O LEU A 107 -15.908 -1.406 -5.716 1.00 0.00 O ATOM 1733 CB LEU A 107 -12.874 -0.992 -4.086 1.00 0.00 C ATOM 1734 CG LEU A 107 -13.133 0.500 -4.285 1.00 0.00 C ATOM 1735 CD1 LEU A 107 -11.929 1.291 -3.768 1.00 0.00 C ATOM 1736 CD2 LEU A 107 -13.326 0.785 -5.776 1.00 0.00 C ATOM 0 H LEU A 107 -12.972 -3.459 -3.722 1.00 0.00 H new ATOM 0 HA LEU A 107 -14.916 -1.283 -3.428 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -12.355 -1.156 -3.142 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -12.223 -1.364 -4.877 1.00 0.00 H new ATOM 0 HG LEU A 107 -14.029 0.795 -3.739 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -12.107 2.357 -3.907 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -11.785 1.082 -2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -11.036 0.997 -4.320 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -13.511 1.849 -5.922 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -12.428 0.495 -6.321 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -14.177 0.214 -6.148 1.00 0.00 H new ATOM 1748 N VAL A 108 -13.976 -2.204 -6.461 1.00 0.00 N ATOM 1749 CA VAL A 108 -14.389 -2.262 -7.907 1.00 0.00 C ATOM 1750 C VAL A 108 -13.747 -1.098 -8.650 1.00 0.00 C ATOM 1751 O VAL A 108 -14.230 0.016 -8.602 1.00 0.00 O ATOM 1752 CB VAL A 108 -15.907 -2.170 -8.081 1.00 0.00 C ATOM 1753 CG1 VAL A 108 -16.232 -2.147 -9.571 1.00 0.00 C ATOM 1754 CG2 VAL A 108 -16.578 -3.378 -7.426 1.00 0.00 C ATOM 0 H VAL A 108 -13.022 -2.522 -6.292 1.00 0.00 H new ATOM 0 HA VAL A 108 -14.060 -3.221 -8.306 1.00 0.00 H new ATOM 0 HB VAL A 108 -16.277 -1.261 -7.607 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -17.312 -2.082 -9.707 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -15.755 -1.283 -10.034 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -15.862 -3.060 -10.038 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -17.658 -3.307 -7.553 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -16.217 -4.293 -7.895 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -16.338 -3.396 -6.363 1.00 0.00 H new ATOM 1764 N GLY A 109 -12.658 -1.343 -9.330 1.00 0.00 N ATOM 1765 CA GLY A 109 -11.977 -0.240 -10.066 1.00 0.00 C ATOM 1766 C GLY A 109 -11.975 1.002 -9.179 1.00 0.00 C ATOM 1767 O GLY A 109 -12.832 1.855 -9.286 1.00 0.00 O ATOM 0 H GLY A 109 -12.212 -2.257 -9.407 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -10.956 -0.527 -10.319 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -12.493 -0.035 -11.004 1.00 0.00 H new ATOM 1771 N LEU A 110 -11.030 1.068 -8.283 1.00 0.00 N ATOM 1772 CA LEU A 110 -10.928 2.211 -7.328 1.00 0.00 C ATOM 1773 C LEU A 110 -11.475 3.502 -7.935 1.00 0.00 C ATOM 1774 O LEU A 110 -11.489 3.693 -9.134 1.00 0.00 O ATOM 1775 CB LEU A 110 -9.474 2.423 -6.952 1.00 0.00 C ATOM 1776 CG LEU A 110 -9.204 1.809 -5.584 1.00 0.00 C ATOM 1777 CD1 LEU A 110 -8.975 0.304 -5.734 1.00 0.00 C ATOM 1778 CD2 LEU A 110 -7.958 2.461 -4.994 1.00 0.00 C ATOM 0 H LEU A 110 -10.305 0.360 -8.169 1.00 0.00 H new ATOM 0 HA LEU A 110 -11.522 1.966 -6.447 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -8.825 1.968 -7.700 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.244 3.488 -6.935 1.00 0.00 H new ATOM 0 HG LEU A 110 -10.057 1.975 -4.926 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -8.782 -0.134 -4.755 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -9.861 -0.157 -6.170 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -8.118 0.129 -6.385 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.752 2.031 -4.014 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.108 2.285 -5.653 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -8.122 3.534 -4.893 1.00 0.00 H new ATOM 1790 N ASN A 111 -11.939 4.384 -7.096 1.00 0.00 N ATOM 1791 CA ASN A 111 -12.516 5.661 -7.590 1.00 0.00 C ATOM 1792 C ASN A 111 -11.949 6.847 -6.807 1.00 0.00 C ATOM 1793 O ASN A 111 -12.237 7.987 -7.107 1.00 0.00 O ATOM 1794 CB ASN A 111 -14.025 5.595 -7.371 1.00 0.00 C ATOM 1795 CG ASN A 111 -14.750 6.174 -8.585 1.00 0.00 C ATOM 1796 OD1 ASN A 111 -15.423 5.461 -9.303 1.00 0.00 O ATOM 1797 ND2 ASN A 111 -14.640 7.446 -8.849 1.00 0.00 N ATOM 0 H ASN A 111 -11.943 4.273 -6.082 1.00 0.00 H new ATOM 0 HA ASN A 111 -12.271 5.797 -8.643 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -14.334 4.562 -7.210 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -14.296 6.152 -6.474 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -15.119 7.842 -9.658 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -14.075 8.045 -8.247 1.00 0.00 H new ATOM 1804 N ALA A 112 -11.180 6.590 -5.782 1.00 0.00 N ATOM 1805 CA ALA A 112 -10.632 7.707 -4.958 1.00 0.00 C ATOM 1806 C ALA A 112 -11.760 8.284 -4.095 1.00 0.00 C ATOM 1807 O ALA A 112 -11.549 9.156 -3.275 1.00 0.00 O ATOM 1808 CB ALA A 112 -10.062 8.800 -5.863 1.00 0.00 C ATOM 0 H ALA A 112 -10.908 5.655 -5.480 1.00 0.00 H new ATOM 0 HA ALA A 112 -9.831 7.331 -4.321 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -9.665 9.609 -5.250 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.263 8.384 -6.477 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -10.851 9.187 -6.508 1.00 0.00 H new ATOM 1814 N ASP A 113 -12.955 7.781 -4.263 1.00 0.00 N ATOM 1815 CA ASP A 113 -14.104 8.255 -3.456 1.00 0.00 C ATOM 1816 C ASP A 113 -14.047 7.555 -2.103 1.00 0.00 C ATOM 1817 O ASP A 113 -14.596 8.010 -1.119 1.00 0.00 O ATOM 1818 CB ASP A 113 -15.392 7.869 -4.183 1.00 0.00 C ATOM 1819 CG ASP A 113 -16.279 9.104 -4.354 1.00 0.00 C ATOM 1820 OD1 ASP A 113 -17.068 9.371 -3.461 1.00 0.00 O ATOM 1821 OD2 ASP A 113 -16.156 9.761 -5.374 1.00 0.00 O ATOM 0 H ASP A 113 -13.181 7.050 -4.938 1.00 0.00 H new ATOM 0 HA ASP A 113 -14.073 9.336 -3.317 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -15.156 7.441 -5.157 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -15.924 7.103 -3.619 1.00 0.00 H new ATOM 1826 N ASP A 114 -13.379 6.437 -2.067 1.00 0.00 N ATOM 1827 CA ASP A 114 -13.254 5.660 -0.811 1.00 0.00 C ATOM 1828 C ASP A 114 -11.844 5.846 -0.242 1.00 0.00 C ATOM 1829 O ASP A 114 -11.556 5.461 0.873 1.00 0.00 O ATOM 1830 CB ASP A 114 -13.492 4.189 -1.144 1.00 0.00 C ATOM 1831 CG ASP A 114 -14.996 3.909 -1.164 1.00 0.00 C ATOM 1832 OD1 ASP A 114 -15.754 4.860 -1.252 1.00 0.00 O ATOM 1833 OD2 ASP A 114 -15.364 2.748 -1.092 1.00 0.00 O ATOM 0 H ASP A 114 -12.907 6.024 -2.872 1.00 0.00 H new ATOM 0 HA ASP A 114 -13.979 5.999 -0.071 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -13.053 3.948 -2.112 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -13.003 3.554 -0.406 1.00 0.00 H new ATOM 1838 N PHE A 115 -10.963 6.435 -1.008 1.00 0.00 N ATOM 1839 CA PHE A 115 -9.571 6.653 -0.523 1.00 0.00 C ATOM 1840 C PHE A 115 -9.396 8.121 -0.105 1.00 0.00 C ATOM 1841 O PHE A 115 -9.973 9.007 -0.704 1.00 0.00 O ATOM 1842 CB PHE A 115 -8.587 6.321 -1.646 1.00 0.00 C ATOM 1843 CG PHE A 115 -8.350 4.829 -1.689 1.00 0.00 C ATOM 1844 CD1 PHE A 115 -9.321 3.981 -2.235 1.00 0.00 C ATOM 1845 CD2 PHE A 115 -7.159 4.294 -1.182 1.00 0.00 C ATOM 1846 CE1 PHE A 115 -9.100 2.600 -2.277 1.00 0.00 C ATOM 1847 CE2 PHE A 115 -6.938 2.912 -1.223 1.00 0.00 C ATOM 1848 CZ PHE A 115 -7.909 2.065 -1.770 1.00 0.00 C ATOM 0 H PHE A 115 -11.150 6.775 -1.951 1.00 0.00 H new ATOM 0 HA PHE A 115 -9.378 6.008 0.335 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -8.982 6.664 -2.602 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -7.645 6.844 -1.484 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -10.241 4.393 -2.624 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -6.411 4.948 -0.759 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -9.848 1.946 -2.701 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -6.019 2.500 -0.833 1.00 0.00 H new ATOM 0 HZ PHE A 115 -7.740 0.999 -1.801 1.00 0.00 H new ATOM 1858 N PRO A 116 -8.606 8.331 0.921 1.00 0.00 N ATOM 1859 CA PRO A 116 -8.338 9.682 1.454 1.00 0.00 C ATOM 1860 C PRO A 116 -7.576 10.532 0.433 1.00 0.00 C ATOM 1861 O PRO A 116 -6.822 10.013 -0.366 1.00 0.00 O ATOM 1862 CB PRO A 116 -7.460 9.450 2.690 1.00 0.00 C ATOM 1863 CG PRO A 116 -7.222 7.925 2.820 1.00 0.00 C ATOM 1864 CD PRO A 116 -7.920 7.242 1.635 1.00 0.00 C ATOM 0 HA PRO A 116 -9.262 10.213 1.684 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -6.512 9.978 2.590 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -7.948 9.838 3.584 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -6.155 7.703 2.816 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -7.621 7.555 3.764 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -7.200 6.738 0.990 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -8.627 6.486 1.975 1.00 0.00 H new ATOM 1872 N PRO A 117 -7.786 11.823 0.506 1.00 0.00 N ATOM 1873 CA PRO A 117 -7.115 12.780 -0.390 1.00 0.00 C ATOM 1874 C PRO A 117 -5.607 12.775 -0.120 1.00 0.00 C ATOM 1875 O PRO A 117 -4.812 13.134 -0.965 1.00 0.00 O ATOM 1876 CB PRO A 117 -7.715 14.145 -0.028 1.00 0.00 C ATOM 1877 CG PRO A 117 -8.703 13.929 1.148 1.00 0.00 C ATOM 1878 CD PRO A 117 -8.712 12.429 1.480 1.00 0.00 C ATOM 0 HA PRO A 117 -7.257 12.536 -1.443 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -6.929 14.845 0.256 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -8.230 14.576 -0.886 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -8.397 14.511 2.017 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -9.703 14.266 0.875 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -8.384 12.248 2.504 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -9.714 12.009 1.388 1.00 0.00 H new ATOM 1886 N ALA A 118 -5.212 12.375 1.060 1.00 0.00 N ATOM 1887 CA ALA A 118 -3.759 12.349 1.398 1.00 0.00 C ATOM 1888 C ALA A 118 -2.975 11.709 0.252 1.00 0.00 C ATOM 1889 O ALA A 118 -2.092 12.312 -0.322 1.00 0.00 O ATOM 1890 CB ALA A 118 -3.544 11.529 2.670 1.00 0.00 C ATOM 0 H ALA A 118 -5.835 12.065 1.806 1.00 0.00 H new ATOM 0 HA ALA A 118 -3.410 13.370 1.555 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -2.482 11.511 2.916 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -4.099 11.981 3.492 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -3.897 10.510 2.510 1.00 0.00 H new ATOM 1896 N ASN A 119 -3.294 10.493 -0.088 1.00 0.00 N ATOM 1897 CA ASN A 119 -2.569 9.817 -1.200 1.00 0.00 C ATOM 1898 C ASN A 119 -3.231 10.194 -2.523 1.00 0.00 C ATOM 1899 O ASN A 119 -3.478 9.362 -3.361 1.00 0.00 O ATOM 1900 CB ASN A 119 -2.647 8.303 -1.009 1.00 0.00 C ATOM 1901 CG ASN A 119 -1.648 7.873 0.065 1.00 0.00 C ATOM 1902 OD1 ASN A 119 -0.427 7.575 -0.280 1.00 0.00 O flip ATOM 1903 ND2 ASN A 119 -1.983 7.808 1.231 1.00 0.00 N flip ATOM 0 H ASN A 119 -4.025 9.937 0.355 1.00 0.00 H new ATOM 0 HA ASN A 119 -1.525 10.129 -1.205 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -3.657 8.014 -0.718 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -2.428 7.795 -1.948 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -2.939 8.041 1.501 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -1.309 7.520 1.940 1.00 0.00 H new ATOM 1910 N GLU A 120 -3.526 11.445 -2.705 1.00 0.00 N ATOM 1911 CA GLU A 120 -4.183 11.903 -3.959 1.00 0.00 C ATOM 1912 C GLU A 120 -3.334 11.588 -5.209 1.00 0.00 C ATOM 1913 O GLU A 120 -3.871 11.171 -6.214 1.00 0.00 O ATOM 1914 CB GLU A 120 -4.386 13.412 -3.862 1.00 0.00 C ATOM 1915 CG GLU A 120 -5.870 13.719 -3.651 1.00 0.00 C ATOM 1916 CD GLU A 120 -6.071 15.234 -3.585 1.00 0.00 C ATOM 1917 OE1 GLU A 120 -5.465 15.855 -2.727 1.00 0.00 O ATOM 1918 OE2 GLU A 120 -6.827 15.747 -4.392 1.00 0.00 O ATOM 0 H GLU A 120 -3.337 12.184 -2.028 1.00 0.00 H new ATOM 0 HA GLU A 120 -5.131 11.376 -4.066 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -3.800 13.815 -3.036 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -4.030 13.896 -4.772 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -6.459 13.298 -4.466 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -6.222 13.254 -2.730 1.00 0.00 H new ATOM 1925 N PRO A 121 -2.045 11.830 -5.134 1.00 0.00 N ATOM 1926 CA PRO A 121 -1.137 11.611 -6.281 1.00 0.00 C ATOM 1927 C PRO A 121 -1.253 10.195 -6.861 1.00 0.00 C ATOM 1928 O PRO A 121 -1.151 10.008 -8.057 1.00 0.00 O ATOM 1929 CB PRO A 121 0.267 11.874 -5.722 1.00 0.00 C ATOM 1930 CG PRO A 121 0.100 12.463 -4.301 1.00 0.00 C ATOM 1931 CD PRO A 121 -1.380 12.335 -3.917 1.00 0.00 C ATOM 0 HA PRO A 121 -1.384 12.270 -7.113 1.00 0.00 H new ATOM 0 HB2 PRO A 121 0.845 10.951 -5.689 1.00 0.00 H new ATOM 0 HB3 PRO A 121 0.811 12.568 -6.363 1.00 0.00 H new ATOM 0 HG2 PRO A 121 0.728 11.928 -3.589 1.00 0.00 H new ATOM 0 HG3 PRO A 121 0.412 13.507 -4.280 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -1.513 11.649 -3.080 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -1.793 13.296 -3.611 1.00 0.00 H new ATOM 1939 N VAL A 122 -1.455 9.199 -6.050 1.00 0.00 N ATOM 1940 CA VAL A 122 -1.561 7.817 -6.605 1.00 0.00 C ATOM 1941 C VAL A 122 -3.038 7.410 -6.702 1.00 0.00 C ATOM 1942 O VAL A 122 -3.449 6.754 -7.636 1.00 0.00 O ATOM 1943 CB VAL A 122 -0.789 6.858 -5.697 1.00 0.00 C ATOM 1944 CG1 VAL A 122 -1.456 5.479 -5.678 1.00 0.00 C ATOM 1945 CG2 VAL A 122 0.643 6.717 -6.221 1.00 0.00 C ATOM 0 H VAL A 122 -1.551 9.275 -5.037 1.00 0.00 H new ATOM 0 HA VAL A 122 -1.132 7.780 -7.606 1.00 0.00 H new ATOM 0 HB VAL A 122 -0.784 7.259 -4.683 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -0.892 4.811 -5.027 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -2.476 5.573 -5.306 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.475 5.070 -6.688 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.200 6.035 -5.579 1.00 0.00 H new ATOM 0 HG22 VAL A 122 0.622 6.323 -7.237 1.00 0.00 H new ATOM 0 HG23 VAL A 122 1.128 7.693 -6.221 1.00 0.00 H new ATOM 1955 N ILE A 123 -3.831 7.791 -5.745 1.00 0.00 N ATOM 1956 CA ILE A 123 -5.274 7.432 -5.790 1.00 0.00 C ATOM 1957 C ILE A 123 -5.853 7.967 -7.093 1.00 0.00 C ATOM 1958 O ILE A 123 -6.799 7.434 -7.631 1.00 0.00 O ATOM 1959 CB ILE A 123 -6.004 8.056 -4.593 1.00 0.00 C ATOM 1960 CG1 ILE A 123 -5.785 7.179 -3.357 1.00 0.00 C ATOM 1961 CG2 ILE A 123 -7.506 8.151 -4.890 1.00 0.00 C ATOM 1962 CD1 ILE A 123 -5.784 8.048 -2.096 1.00 0.00 C ATOM 0 H ILE A 123 -3.544 8.336 -4.932 1.00 0.00 H new ATOM 0 HA ILE A 123 -5.398 6.350 -5.741 1.00 0.00 H new ATOM 0 HB ILE A 123 -5.611 9.056 -4.412 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -6.571 6.427 -3.290 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -4.839 6.645 -3.442 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -8.018 8.595 -4.036 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -7.664 8.773 -5.771 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -7.904 7.153 -5.074 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -5.628 7.418 -1.220 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -4.982 8.784 -2.162 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -6.741 8.562 -2.007 1.00 0.00 H new ATOM 1974 N ALA A 124 -5.276 9.016 -7.607 1.00 0.00 N ATOM 1975 CA ALA A 124 -5.766 9.595 -8.884 1.00 0.00 C ATOM 1976 C ALA A 124 -5.639 8.537 -9.977 1.00 0.00 C ATOM 1977 O ALA A 124 -6.483 8.399 -10.841 1.00 0.00 O ATOM 1978 CB ALA A 124 -4.895 10.797 -9.242 1.00 0.00 C ATOM 0 H ALA A 124 -4.479 9.500 -7.192 1.00 0.00 H new ATOM 0 HA ALA A 124 -6.806 9.908 -8.788 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -5.243 11.233 -10.178 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.959 11.542 -8.449 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.860 10.475 -9.355 1.00 0.00 H new ATOM 1984 N LYS A 125 -4.573 7.797 -9.932 1.00 0.00 N ATOM 1985 CA LYS A 125 -4.328 6.738 -10.943 1.00 0.00 C ATOM 1986 C LYS A 125 -5.210 5.521 -10.658 1.00 0.00 C ATOM 1987 O LYS A 125 -5.752 4.928 -11.563 1.00 0.00 O ATOM 1988 CB LYS A 125 -2.858 6.342 -10.888 1.00 0.00 C ATOM 1989 CG LYS A 125 -1.997 7.594 -11.063 1.00 0.00 C ATOM 1990 CD LYS A 125 -2.191 8.171 -12.469 1.00 0.00 C ATOM 1991 CE LYS A 125 -1.983 9.686 -12.432 1.00 0.00 C ATOM 1992 NZ LYS A 125 -0.828 10.006 -11.545 1.00 0.00 N ATOM 0 H LYS A 125 -3.846 7.883 -9.222 1.00 0.00 H new ATOM 0 HA LYS A 125 -4.574 7.114 -11.936 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -2.633 5.861 -9.936 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -2.634 5.618 -11.672 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -2.268 8.339 -10.315 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -0.947 7.349 -10.903 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -1.485 7.713 -13.162 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -3.192 7.939 -12.834 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -1.799 10.063 -13.438 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -2.884 10.179 -12.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -0.386 10.894 -11.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -1.161 10.112 -10.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -0.130 9.236 -11.592 1.00 0.00 H new ATOM 2006 N LEU A 126 -5.380 5.147 -9.415 1.00 0.00 N ATOM 2007 CA LEU A 126 -6.261 3.979 -9.124 1.00 0.00 C ATOM 2008 C LEU A 126 -7.611 4.276 -9.751 1.00 0.00 C ATOM 2009 O LEU A 126 -8.227 3.440 -10.382 1.00 0.00 O ATOM 2010 CB LEU A 126 -6.447 3.811 -7.614 1.00 0.00 C ATOM 2011 CG LEU A 126 -5.205 3.178 -6.968 1.00 0.00 C ATOM 2012 CD1 LEU A 126 -3.942 3.465 -7.792 1.00 0.00 C ATOM 2013 CD2 LEU A 126 -5.038 3.768 -5.571 1.00 0.00 C ATOM 0 H LEU A 126 -4.954 5.592 -8.602 1.00 0.00 H new ATOM 0 HA LEU A 126 -5.819 3.065 -9.522 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -6.642 4.782 -7.159 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.319 3.187 -7.420 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.341 2.097 -6.922 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -3.080 3.004 -7.309 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -4.060 3.053 -8.794 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -3.788 4.542 -7.858 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -4.161 3.331 -5.094 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -4.911 4.848 -5.645 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -5.923 3.547 -4.974 1.00 0.00 H new ATOM 2025 N LYS A 127 -8.053 5.491 -9.581 1.00 0.00 N ATOM 2026 CA LYS A 127 -9.350 5.921 -10.162 1.00 0.00 C ATOM 2027 C LYS A 127 -9.488 5.310 -11.553 1.00 0.00 C ATOM 2028 O LYS A 127 -10.537 4.840 -11.949 1.00 0.00 O ATOM 2029 CB LYS A 127 -9.345 7.443 -10.304 1.00 0.00 C ATOM 2030 CG LYS A 127 -8.848 8.093 -9.016 1.00 0.00 C ATOM 2031 CD LYS A 127 -9.717 9.316 -8.699 1.00 0.00 C ATOM 2032 CE LYS A 127 -9.703 10.279 -9.889 1.00 0.00 C ATOM 2033 NZ LYS A 127 -11.080 10.803 -10.121 1.00 0.00 N ATOM 0 H LYS A 127 -7.561 6.213 -9.055 1.00 0.00 H new ATOM 0 HA LYS A 127 -10.172 5.602 -9.521 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -8.706 7.735 -11.137 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -10.350 7.797 -10.534 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -8.891 7.378 -8.194 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -7.805 8.391 -9.124 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -10.739 9.003 -8.484 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -9.343 9.819 -7.807 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -9.017 11.103 -9.695 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -9.342 9.767 -10.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -11.071 11.457 -10.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -11.723 10.011 -10.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -11.408 11.306 -9.272 1.00 0.00 H new ATOM 2047 N ARG A 128 -8.416 5.324 -12.290 1.00 0.00 N ATOM 2048 CA ARG A 128 -8.429 4.759 -13.666 1.00 0.00 C ATOM 2049 C ARG A 128 -8.322 3.232 -13.585 1.00 0.00 C ATOM 2050 O ARG A 128 -9.102 2.514 -14.178 1.00 0.00 O ATOM 2051 CB ARG A 128 -7.230 5.305 -14.457 1.00 0.00 C ATOM 2052 CG ARG A 128 -6.748 6.637 -13.867 1.00 0.00 C ATOM 2053 CD ARG A 128 -6.077 7.466 -14.965 1.00 0.00 C ATOM 2054 NE ARG A 128 -4.656 7.038 -15.112 1.00 0.00 N ATOM 2055 CZ ARG A 128 -3.967 7.397 -16.162 1.00 0.00 C ATOM 2056 NH1 ARG A 128 -4.541 7.457 -17.333 1.00 0.00 N ATOM 2057 NH2 ARG A 128 -2.703 7.701 -16.042 1.00 0.00 N ATOM 0 H ARG A 128 -7.519 5.708 -11.994 1.00 0.00 H new ATOM 0 HA ARG A 128 -9.356 5.041 -14.166 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -6.417 4.579 -14.440 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -7.511 5.445 -15.501 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -7.590 7.186 -13.444 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -6.046 6.454 -13.054 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -6.607 7.336 -15.909 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -6.125 8.526 -14.716 1.00 0.00 H new ATOM 0 HE ARG A 128 -4.221 6.463 -14.390 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -5.529 7.223 -17.429 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -4.001 7.738 -18.152 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -2.253 7.658 -15.128 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -2.166 7.981 -16.863 1.00 0.00 H new ATOM 2071 N LEU A 129 -7.354 2.738 -12.856 1.00 0.00 N ATOM 2072 CA LEU A 129 -7.173 1.262 -12.727 1.00 0.00 C ATOM 2073 C LEU A 129 -7.428 0.593 -14.080 1.00 0.00 C ATOM 2074 O LEU A 129 -8.534 0.121 -14.287 1.00 0.00 O ATOM 2075 CB LEU A 129 -8.146 0.705 -11.683 1.00 0.00 C ATOM 2076 CG LEU A 129 -7.374 -0.119 -10.654 1.00 0.00 C ATOM 2077 CD1 LEU A 129 -6.202 0.697 -10.113 1.00 0.00 C ATOM 2078 CD2 LEU A 129 -8.305 -0.494 -9.504 1.00 0.00 C ATOM 2079 OXT LEU A 129 -6.514 0.567 -14.887 1.00 0.00 O ATOM 0 H LEU A 129 -6.676 3.300 -12.341 1.00 0.00 H new ATOM 0 HA LEU A 129 -6.152 1.054 -12.407 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -8.673 1.522 -11.189 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -8.901 0.086 -12.168 1.00 0.00 H new ATOM 0 HG LEU A 129 -6.994 -1.024 -11.128 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -5.654 0.105 -9.379 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -5.536 0.965 -10.933 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -6.578 1.604 -9.640 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -7.756 -1.082 -8.768 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -8.685 0.413 -9.033 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -9.140 -1.081 -9.888 1.00 0.00 H new