USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 711 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 SER OG : rot 113:sc= 1 USER MOD Set 1.2: A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 151:sc= -0.913 (180deg=-1.56) USER MOD Single : A 13 LYS NZ :NH3+ -120:sc= -5.43! (180deg=-9.38!) USER MOD Single : A 14 HIS : no HE2:sc= -0.971 K(o=-0.97,f=-2.5) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 144:sc= -1.21 (180deg=-1.9) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.00897 USER MOD Single : A 22 HIS : no HE2:sc= -1.96 K(o=-2,f=-2.7) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.854 K(o=-0.85,f=-6.1!) USER MOD Single : A 35 LYS NZ :NH3+ -161:sc= -0.146 (180deg=-0.879) USER MOD Single : A 36 ASN : amide:sc= -1.2 K(o=-1.2,f=-4.1!) USER MOD Single : A 37 ASN : amide:sc= -5.3! C(o=-5.3!,f=-6.1!) USER MOD Single : A 45 ASN : amide:sc= -7.85! C(o=-7.8!,f=-7.8!) USER MOD Single : A 50 ASN : amide:sc= -0.0122 X(o=-0.012,f=-0.41) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.148 X(o=-0.15,f=-0.49) USER MOD Single : A 55 ASN :FLIP amide:sc= -1.68! C(o=-2.6!,f=-1.7!) USER MOD Single : A 56 SER OG : rot 7:sc= 0.166 USER MOD Single : A 60 HIS : no HD1:sc= -1.22 X(o=-1.2,f=-0.87) USER MOD Single : A 64 SER OG : rot 94:sc= 1.24 USER MOD Single : A 66 TYR OH : rot 180:sc= -1.2 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= -0.358! USER MOD Single : A 73 ASN :FLIP amide:sc= 0.052 F(o=-6!,f=0.052) USER MOD Single : A 76 ASN : amide:sc= 0.0898 K(o=0.09,f=-3.6!) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 ASN : amide:sc= -0.915 X(o=-0.92,f=-1) USER MOD Single : A 86 LYS NZ :NH3+ 178:sc= -1.52 (180deg=-1.54) USER MOD ----------------------------------------------------------------- ATOM 18 N GLU A 2 -10.794 12.858 -5.676 1.00 0.00 N ATOM 19 CA GLU A 2 -11.336 11.551 -5.326 1.00 0.00 C ATOM 20 C GLU A 2 -10.249 10.484 -5.407 1.00 0.00 C ATOM 21 O GLU A 2 -10.296 9.486 -4.694 1.00 0.00 O ATOM 22 CB GLU A 2 -12.493 11.190 -6.265 1.00 0.00 C ATOM 23 CG GLU A 2 -11.956 10.868 -7.664 1.00 0.00 C ATOM 24 CD GLU A 2 -11.073 12.005 -8.163 1.00 0.00 C ATOM 25 OE1 GLU A 2 -9.894 11.767 -8.366 1.00 0.00 O ATOM 26 OE2 GLU A 2 -11.589 13.097 -8.336 1.00 0.00 O ATOM 0 HA GLU A 2 -11.709 11.594 -4.303 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -13.038 10.333 -5.870 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -13.199 12.019 -6.320 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -11.386 9.939 -7.638 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -12.786 10.713 -8.353 1.00 0.00 H new ATOM 33 N GLN A 3 -9.275 10.708 -6.283 1.00 0.00 N ATOM 34 CA GLN A 3 -8.173 9.768 -6.461 1.00 0.00 C ATOM 35 C GLN A 3 -7.723 9.195 -5.125 1.00 0.00 C ATOM 36 O GLN A 3 -8.044 8.060 -4.782 1.00 0.00 O ATOM 37 CB GLN A 3 -6.993 10.482 -7.128 1.00 0.00 C ATOM 38 CG GLN A 3 -5.891 9.465 -7.475 1.00 0.00 C ATOM 39 CD GLN A 3 -5.242 9.826 -8.808 1.00 0.00 C ATOM 40 OE1 GLN A 3 -4.336 10.660 -8.853 1.00 0.00 O ATOM 41 NE2 GLN A 3 -5.652 9.244 -9.902 1.00 0.00 N ATOM 0 H GLN A 3 -9.226 11.533 -6.881 1.00 0.00 H new ATOM 0 HA GLN A 3 -8.520 8.949 -7.091 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -7.329 10.990 -8.032 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -6.596 11.247 -6.461 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -5.138 9.451 -6.687 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -6.315 8.462 -7.528 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -6.402 8.554 -9.862 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -5.222 9.479 -10.797 1.00 0.00 H new ATOM 50 N PHE A 4 -6.978 9.991 -4.371 1.00 0.00 N ATOM 51 CA PHE A 4 -6.498 9.545 -3.071 1.00 0.00 C ATOM 52 C PHE A 4 -7.636 8.886 -2.303 1.00 0.00 C ATOM 53 O PHE A 4 -7.456 7.835 -1.691 1.00 0.00 O ATOM 54 CB PHE A 4 -5.937 10.731 -2.275 1.00 0.00 C ATOM 55 CG PHE A 4 -4.843 10.247 -1.349 1.00 0.00 C ATOM 56 CD1 PHE A 4 -3.664 9.713 -1.882 1.00 0.00 C ATOM 57 CD2 PHE A 4 -5.007 10.333 0.039 1.00 0.00 C ATOM 58 CE1 PHE A 4 -2.650 9.264 -1.028 1.00 0.00 C ATOM 59 CE2 PHE A 4 -3.993 9.884 0.893 1.00 0.00 C ATOM 60 CZ PHE A 4 -2.814 9.349 0.360 1.00 0.00 C ATOM 0 H PHE A 4 -6.696 10.936 -4.632 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.699 8.819 -3.217 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.544 11.486 -2.956 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.732 11.204 -1.699 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -3.537 9.647 -2.952 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -5.916 10.746 0.451 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -1.741 8.852 -1.440 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.120 9.950 1.963 1.00 0.00 H new ATOM 0 HZ PHE A 4 -2.032 9.002 1.019 1.00 0.00 H new ATOM 70 N ASN A 5 -8.809 9.502 -2.351 1.00 0.00 N ATOM 71 CA ASN A 5 -9.970 8.954 -1.665 1.00 0.00 C ATOM 72 C ASN A 5 -10.346 7.599 -2.261 1.00 0.00 C ATOM 73 O ASN A 5 -10.958 6.765 -1.593 1.00 0.00 O ATOM 74 CB ASN A 5 -11.151 9.921 -1.788 1.00 0.00 C ATOM 75 CG ASN A 5 -12.171 9.647 -0.688 1.00 0.00 C ATOM 76 OD1 ASN A 5 -13.077 8.833 -0.870 1.00 0.00 O ATOM 77 ND2 ASN A 5 -12.078 10.279 0.450 1.00 0.00 N ATOM 0 H ASN A 5 -8.981 10.373 -2.853 1.00 0.00 H new ATOM 0 HA ASN A 5 -9.724 8.819 -0.612 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.797 10.950 -1.718 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -11.621 9.811 -2.765 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -12.756 10.099 1.190 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -11.327 10.953 0.599 1.00 0.00 H new ATOM 84 N ALA A 6 -9.981 7.389 -3.525 1.00 0.00 N ATOM 85 CA ALA A 6 -10.292 6.133 -4.202 1.00 0.00 C ATOM 86 C ALA A 6 -9.259 5.060 -3.859 1.00 0.00 C ATOM 87 O ALA A 6 -9.590 4.047 -3.243 1.00 0.00 O ATOM 88 CB ALA A 6 -10.335 6.351 -5.716 1.00 0.00 C ATOM 0 H ALA A 6 -9.474 8.066 -4.096 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.269 5.792 -3.860 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -10.568 5.409 -6.213 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -11.102 7.087 -5.956 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.366 6.713 -6.059 1.00 0.00 H new ATOM 94 N PHE A 7 -8.007 5.287 -4.251 1.00 0.00 N ATOM 95 CA PHE A 7 -6.948 4.323 -3.962 1.00 0.00 C ATOM 96 C PHE A 7 -6.892 4.036 -2.462 1.00 0.00 C ATOM 97 O PHE A 7 -6.696 2.897 -2.046 1.00 0.00 O ATOM 98 CB PHE A 7 -5.594 4.861 -4.446 1.00 0.00 C ATOM 99 CG PHE A 7 -4.466 4.173 -3.708 1.00 0.00 C ATOM 100 CD1 PHE A 7 -3.388 4.923 -3.222 1.00 0.00 C ATOM 101 CD2 PHE A 7 -4.497 2.786 -3.510 1.00 0.00 C ATOM 102 CE1 PHE A 7 -2.343 4.289 -2.540 1.00 0.00 C ATOM 103 CE2 PHE A 7 -3.453 2.153 -2.827 1.00 0.00 C ATOM 104 CZ PHE A 7 -2.375 2.903 -2.343 1.00 0.00 C ATOM 0 H PHE A 7 -7.704 6.116 -4.762 1.00 0.00 H new ATOM 0 HA PHE A 7 -7.167 3.395 -4.490 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -5.491 4.696 -5.519 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.542 5.937 -4.283 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.363 5.992 -3.374 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -5.327 2.206 -3.885 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -1.512 4.869 -2.166 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.479 1.084 -2.673 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.568 2.413 -1.818 1.00 0.00 H new ATOM 114 N LYS A 8 -7.062 5.078 -1.657 1.00 0.00 N ATOM 115 CA LYS A 8 -7.027 4.926 -0.205 1.00 0.00 C ATOM 116 C LYS A 8 -8.239 4.145 0.297 1.00 0.00 C ATOM 117 O LYS A 8 -8.118 3.269 1.161 1.00 0.00 O ATOM 118 CB LYS A 8 -7.011 6.305 0.460 1.00 0.00 C ATOM 119 CG LYS A 8 -6.722 6.146 1.957 1.00 0.00 C ATOM 120 CD LYS A 8 -6.288 7.492 2.543 1.00 0.00 C ATOM 121 CE LYS A 8 -7.345 8.553 2.229 1.00 0.00 C ATOM 122 NZ LYS A 8 -8.702 7.998 2.496 1.00 0.00 N ATOM 0 H LYS A 8 -7.224 6.032 -1.981 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.123 4.374 0.054 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.252 6.935 -0.003 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.970 6.802 0.314 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.611 5.783 2.473 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.940 5.402 2.110 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.155 7.405 3.621 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.326 7.788 2.126 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.177 9.440 2.839 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.266 8.863 1.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.346 8.769 2.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -9.061 7.531 1.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.648 7.306 3.271 1.00 0.00 H new ATOM 136 N SER A 9 -9.415 4.465 -0.232 1.00 0.00 N ATOM 137 CA SER A 9 -10.617 3.778 0.208 1.00 0.00 C ATOM 138 C SER A 9 -10.528 2.299 -0.150 1.00 0.00 C ATOM 139 O SER A 9 -11.248 1.471 0.407 1.00 0.00 O ATOM 140 CB SER A 9 -11.864 4.407 -0.414 1.00 0.00 C ATOM 141 OG SER A 9 -12.098 5.674 0.185 1.00 0.00 O ATOM 0 H SER A 9 -9.558 5.177 -0.948 1.00 0.00 H new ATOM 0 HA SER A 9 -10.697 3.877 1.291 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.731 4.519 -1.490 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.726 3.757 -0.266 1.00 0.00 H new ATOM 0 HG SER A 9 -11.957 6.381 -0.479 1.00 0.00 H new ATOM 147 N LEU A 10 -9.619 1.972 -1.067 1.00 0.00 N ATOM 148 CA LEU A 10 -9.426 0.585 -1.466 1.00 0.00 C ATOM 149 C LEU A 10 -8.639 -0.137 -0.373 1.00 0.00 C ATOM 150 O LEU A 10 -8.807 -1.339 -0.165 1.00 0.00 O ATOM 151 CB LEU A 10 -8.694 0.521 -2.824 1.00 0.00 C ATOM 152 CG LEU A 10 -7.709 -0.665 -2.866 1.00 0.00 C ATOM 153 CD1 LEU A 10 -7.361 -0.998 -4.326 1.00 0.00 C ATOM 154 CD2 LEU A 10 -6.420 -0.304 -2.103 1.00 0.00 C ATOM 0 H LEU A 10 -9.013 2.642 -1.541 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.390 0.091 -1.590 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.422 0.422 -3.629 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -8.154 1.453 -2.995 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.176 -1.531 -2.396 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.665 -1.836 -4.352 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.270 -1.264 -4.865 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.901 -0.130 -4.798 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.729 -1.146 -2.137 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.955 0.566 -2.566 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.663 -0.076 -1.065 1.00 0.00 H new ATOM 166 N LEU A 11 -7.796 0.612 0.338 1.00 0.00 N ATOM 167 CA LEU A 11 -7.014 0.033 1.422 1.00 0.00 C ATOM 168 C LEU A 11 -7.957 -0.375 2.544 1.00 0.00 C ATOM 169 O LEU A 11 -7.825 -1.457 3.114 1.00 0.00 O ATOM 170 CB LEU A 11 -5.978 1.039 1.948 1.00 0.00 C ATOM 171 CG LEU A 11 -4.659 0.894 1.176 1.00 0.00 C ATOM 172 CD1 LEU A 11 -3.904 2.225 1.205 1.00 0.00 C ATOM 173 CD2 LEU A 11 -3.795 -0.193 1.830 1.00 0.00 C ATOM 0 H LEU A 11 -7.640 1.608 0.183 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.477 -0.839 1.049 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.360 2.054 1.842 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.806 0.872 3.011 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.873 0.615 0.144 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.967 2.124 0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.514 3.000 0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.692 2.501 2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.859 -0.294 1.280 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.581 0.084 2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.330 -1.142 1.813 1.00 0.00 H new ATOM 185 N LYS A 12 -8.928 0.488 2.838 1.00 0.00 N ATOM 186 CA LYS A 12 -9.912 0.185 3.878 1.00 0.00 C ATOM 187 C LYS A 12 -10.287 -1.295 3.827 1.00 0.00 C ATOM 188 O LYS A 12 -10.216 -1.998 4.835 1.00 0.00 O ATOM 189 CB LYS A 12 -11.166 1.039 3.679 1.00 0.00 C ATOM 190 CG LYS A 12 -10.833 2.505 3.962 1.00 0.00 C ATOM 191 CD LYS A 12 -12.084 3.362 3.758 1.00 0.00 C ATOM 192 CE LYS A 12 -11.765 4.820 4.095 1.00 0.00 C ATOM 193 NZ LYS A 12 -12.830 5.701 3.540 1.00 0.00 N ATOM 0 H LYS A 12 -9.055 1.390 2.379 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.475 0.412 4.851 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.536 0.929 2.660 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.960 0.700 4.345 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.467 2.615 4.983 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.036 2.842 3.299 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.428 3.283 2.727 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.893 3.000 4.392 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.698 4.949 5.175 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.796 5.097 3.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.614 6.692 3.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.873 5.585 2.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.747 5.441 3.956 1.00 0.00 H new ATOM 207 N LYS A 13 -10.664 -1.766 2.643 1.00 0.00 N ATOM 208 CA LYS A 13 -11.018 -3.170 2.467 1.00 0.00 C ATOM 209 C LYS A 13 -9.916 -4.049 3.047 1.00 0.00 C ATOM 210 O LYS A 13 -10.178 -5.035 3.736 1.00 0.00 O ATOM 211 CB LYS A 13 -11.180 -3.474 0.969 1.00 0.00 C ATOM 212 CG LYS A 13 -12.310 -4.498 0.741 1.00 0.00 C ATOM 213 CD LYS A 13 -13.614 -3.780 0.364 1.00 0.00 C ATOM 214 CE LYS A 13 -14.194 -3.065 1.589 1.00 0.00 C ATOM 215 NZ LYS A 13 -13.436 -1.806 1.838 1.00 0.00 N ATOM 0 H LYS A 13 -10.732 -1.201 1.797 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.956 -3.375 2.983 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.401 -2.554 0.428 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.244 -3.862 0.568 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -12.027 -5.191 -0.051 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.461 -5.090 1.644 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.425 -3.059 -0.432 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -14.336 -4.499 -0.023 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -15.248 -2.841 1.426 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -14.137 -3.714 2.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.007 -1.841 2.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.688 -1.704 1.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.083 -0.994 1.781 1.00 0.00 H new ATOM 229 N HIS A 14 -8.682 -3.665 2.751 1.00 0.00 N ATOM 230 CA HIS A 14 -7.510 -4.392 3.226 1.00 0.00 C ATOM 231 C HIS A 14 -7.336 -4.239 4.733 1.00 0.00 C ATOM 232 O HIS A 14 -7.353 -5.223 5.473 1.00 0.00 O ATOM 233 CB HIS A 14 -6.263 -3.850 2.523 1.00 0.00 C ATOM 234 CG HIS A 14 -5.147 -4.857 2.617 1.00 0.00 C ATOM 235 ND1 HIS A 14 -3.849 -4.493 2.942 1.00 0.00 N ATOM 236 CD2 HIS A 14 -5.118 -6.217 2.428 1.00 0.00 C ATOM 237 CE1 HIS A 14 -3.101 -5.613 2.938 1.00 0.00 C ATOM 238 NE2 HIS A 14 -3.826 -6.692 2.630 1.00 0.00 N ATOM 0 H HIS A 14 -8.465 -2.848 2.180 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.649 -5.449 3.000 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -6.487 -3.638 1.478 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -5.956 -2.909 2.980 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -3.521 -3.549 3.147 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -5.970 -6.826 2.163 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -2.044 -5.636 3.157 1.00 0.00 H new ATOM 247 N TYR A 15 -7.147 -3.001 5.178 1.00 0.00 N ATOM 248 CA TYR A 15 -6.945 -2.720 6.595 1.00 0.00 C ATOM 249 C TYR A 15 -8.279 -2.453 7.289 1.00 0.00 C ATOM 250 O TYR A 15 -8.344 -1.695 8.255 1.00 0.00 O ATOM 251 CB TYR A 15 -6.033 -1.494 6.743 1.00 0.00 C ATOM 252 CG TYR A 15 -4.580 -1.911 6.643 1.00 0.00 C ATOM 253 CD1 TYR A 15 -3.633 -1.354 7.514 1.00 0.00 C ATOM 254 CD2 TYR A 15 -4.175 -2.848 5.682 1.00 0.00 C ATOM 255 CE1 TYR A 15 -2.289 -1.735 7.424 1.00 0.00 C ATOM 256 CE2 TYR A 15 -2.830 -3.228 5.595 1.00 0.00 C ATOM 257 CZ TYR A 15 -1.888 -2.671 6.465 1.00 0.00 C ATOM 258 OH TYR A 15 -0.562 -3.045 6.379 1.00 0.00 O ATOM 0 H TYR A 15 -7.129 -2.176 4.578 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.480 -3.588 7.063 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -6.264 -0.764 5.968 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.215 -1.009 7.702 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -3.941 -0.631 8.255 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.901 -3.277 5.008 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.561 -1.306 8.096 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -2.520 -3.952 4.856 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.454 -3.704 5.662 1.00 0.00 H new ATOM 268 N GLU A 16 -9.340 -3.079 6.791 1.00 0.00 N ATOM 269 CA GLU A 16 -10.664 -2.895 7.376 1.00 0.00 C ATOM 270 C GLU A 16 -10.588 -2.895 8.902 1.00 0.00 C ATOM 271 O GLU A 16 -10.747 -1.856 9.541 1.00 0.00 O ATOM 272 CB GLU A 16 -11.599 -4.013 6.912 1.00 0.00 C ATOM 273 CG GLU A 16 -13.012 -3.754 7.443 1.00 0.00 C ATOM 274 CD GLU A 16 -13.968 -4.824 6.927 1.00 0.00 C ATOM 275 OE1 GLU A 16 -14.347 -4.744 5.771 1.00 0.00 O ATOM 276 OE2 GLU A 16 -14.306 -5.708 7.698 1.00 0.00 O ATOM 0 H GLU A 16 -9.311 -3.712 5.992 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.053 -1.932 7.045 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.612 -4.062 5.823 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -11.236 -4.976 7.270 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -13.006 -3.756 8.533 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -13.353 -2.768 7.128 1.00 0.00 H new ATOM 283 N LYS A 17 -10.348 -4.069 9.477 1.00 0.00 N ATOM 284 CA LYS A 17 -10.257 -4.196 10.928 1.00 0.00 C ATOM 285 C LYS A 17 -8.942 -3.619 11.440 1.00 0.00 C ATOM 286 O LYS A 17 -8.845 -3.203 12.595 1.00 0.00 O ATOM 287 CB LYS A 17 -10.359 -5.669 11.329 1.00 0.00 C ATOM 288 CG LYS A 17 -11.786 -6.171 11.086 1.00 0.00 C ATOM 289 CD LYS A 17 -11.789 -7.701 11.046 1.00 0.00 C ATOM 290 CE LYS A 17 -11.120 -8.247 12.309 1.00 0.00 C ATOM 291 NZ LYS A 17 -11.608 -7.491 13.496 1.00 0.00 N ATOM 0 H LYS A 17 -10.214 -4.941 8.965 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.081 -3.638 11.373 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.651 -6.263 10.752 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.094 -5.789 12.380 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.447 -5.816 11.876 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.169 -5.771 10.147 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.812 -8.071 10.975 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.260 -8.053 10.160 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.344 -9.308 12.423 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.037 -8.157 12.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.692 -8.136 14.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.935 -6.732 13.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.538 -7.077 13.285 1.00 0.00 H new ATOM 305 N THR A 18 -7.931 -3.601 10.578 1.00 0.00 N ATOM 306 CA THR A 18 -6.626 -3.075 10.961 1.00 0.00 C ATOM 307 C THR A 18 -6.672 -1.554 11.080 1.00 0.00 C ATOM 308 O THR A 18 -5.752 -0.861 10.646 1.00 0.00 O ATOM 309 CB THR A 18 -5.575 -3.482 9.921 1.00 0.00 C ATOM 310 OG1 THR A 18 -5.867 -4.787 9.442 1.00 0.00 O ATOM 311 CG2 THR A 18 -4.183 -3.471 10.557 1.00 0.00 C ATOM 0 H THR A 18 -7.989 -3.941 9.618 1.00 0.00 H new ATOM 0 HA THR A 18 -6.356 -3.492 11.931 1.00 0.00 H new ATOM 0 HB THR A 18 -5.595 -2.774 9.092 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.197 -5.048 8.776 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.441 -3.761 9.813 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.958 -2.469 10.923 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.157 -4.175 11.389 1.00 0.00 H new ATOM 319 N ILE A 19 -7.748 -1.040 11.669 1.00 0.00 N ATOM 320 CA ILE A 19 -7.898 0.401 11.836 1.00 0.00 C ATOM 321 C ILE A 19 -6.907 0.924 12.876 1.00 0.00 C ATOM 322 O ILE A 19 -6.044 1.740 12.558 1.00 0.00 O ATOM 323 CB ILE A 19 -9.341 0.731 12.251 1.00 0.00 C ATOM 324 CG1 ILE A 19 -9.518 2.255 12.385 1.00 0.00 C ATOM 325 CG2 ILE A 19 -9.669 0.054 13.588 1.00 0.00 C ATOM 326 CD1 ILE A 19 -9.858 2.861 11.020 1.00 0.00 C ATOM 0 H ILE A 19 -8.522 -1.594 12.035 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.685 0.891 10.886 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.020 0.359 11.484 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -10.311 2.477 13.099 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.604 2.703 12.775 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -10.693 0.293 13.875 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.563 -1.026 13.485 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.984 0.414 14.356 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -9.982 3.939 11.121 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.050 2.653 10.318 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.784 2.423 10.648 1.00 0.00 H new ATOM 338 N GLY A 20 -7.045 0.460 14.117 1.00 0.00 N ATOM 339 CA GLY A 20 -6.164 0.892 15.202 1.00 0.00 C ATOM 340 C GLY A 20 -4.787 1.302 14.685 1.00 0.00 C ATOM 341 O GLY A 20 -4.204 2.278 15.156 1.00 0.00 O ATOM 0 H GLY A 20 -7.757 -0.214 14.396 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.619 1.731 15.728 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.055 0.084 15.925 1.00 0.00 H new ATOM 345 N PHE A 21 -4.276 0.555 13.712 1.00 0.00 N ATOM 346 CA PHE A 21 -2.969 0.859 13.140 1.00 0.00 C ATOM 347 C PHE A 21 -3.065 2.061 12.210 1.00 0.00 C ATOM 348 O PHE A 21 -2.265 2.993 12.299 1.00 0.00 O ATOM 349 CB PHE A 21 -2.445 -0.348 12.364 1.00 0.00 C ATOM 350 CG PHE A 21 -1.062 -0.047 11.835 1.00 0.00 C ATOM 351 CD1 PHE A 21 -0.875 0.222 10.474 1.00 0.00 C ATOM 352 CD2 PHE A 21 0.036 -0.042 12.705 1.00 0.00 C ATOM 353 CE1 PHE A 21 0.406 0.494 9.982 1.00 0.00 C ATOM 354 CE2 PHE A 21 1.317 0.232 12.214 1.00 0.00 C ATOM 355 CZ PHE A 21 1.501 0.499 10.852 1.00 0.00 C ATOM 0 H PHE A 21 -4.741 -0.257 13.306 1.00 0.00 H new ATOM 0 HA PHE A 21 -2.281 1.093 13.952 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.415 -1.225 13.011 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.118 -0.583 11.539 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.721 0.220 9.803 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.107 -0.250 13.755 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.549 0.700 8.932 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.163 0.238 12.885 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.490 0.709 10.473 1.00 0.00 H new ATOM 365 N HIS A 22 -4.049 2.034 11.318 1.00 0.00 N ATOM 366 CA HIS A 22 -4.241 3.130 10.378 1.00 0.00 C ATOM 367 C HIS A 22 -4.643 4.403 11.118 1.00 0.00 C ATOM 368 O HIS A 22 -4.527 5.502 10.578 1.00 0.00 O ATOM 369 CB HIS A 22 -5.304 2.757 9.342 1.00 0.00 C ATOM 370 CG HIS A 22 -5.245 3.710 8.181 1.00 0.00 C ATOM 371 ND1 HIS A 22 -5.782 4.986 8.245 1.00 0.00 N ATOM 372 CD2 HIS A 22 -4.730 3.582 6.914 1.00 0.00 C ATOM 373 CE1 HIS A 22 -5.581 5.570 7.049 1.00 0.00 C ATOM 374 NE2 HIS A 22 -4.943 4.758 6.202 1.00 0.00 N ATOM 0 H HIS A 22 -4.720 1.272 11.227 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.299 3.315 9.861 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.143 1.737 8.994 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -6.294 2.786 9.797 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -6.245 5.406 9.051 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -4.235 2.702 6.529 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -5.897 6.573 6.804 1.00 0.00 H new ATOM 383 N ASP A 23 -5.079 4.256 12.364 1.00 0.00 N ATOM 384 CA ASP A 23 -5.448 5.416 13.170 1.00 0.00 C ATOM 385 C ASP A 23 -4.221 5.894 13.940 1.00 0.00 C ATOM 386 O ASP A 23 -4.251 6.914 14.629 1.00 0.00 O ATOM 387 CB ASP A 23 -6.574 5.047 14.144 1.00 0.00 C ATOM 388 CG ASP A 23 -7.470 6.257 14.399 1.00 0.00 C ATOM 389 OD1 ASP A 23 -8.671 6.070 14.496 1.00 0.00 O ATOM 390 OD2 ASP A 23 -6.940 7.351 14.495 1.00 0.00 O ATOM 0 H ASP A 23 -5.185 3.357 12.834 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.805 6.215 12.520 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.165 4.228 13.734 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.150 4.695 15.084 1.00 0.00 H new ATOM 395 N LYS A 24 -3.145 5.125 13.813 1.00 0.00 N ATOM 396 CA LYS A 24 -1.885 5.425 14.486 1.00 0.00 C ATOM 397 C LYS A 24 -0.982 6.313 13.628 1.00 0.00 C ATOM 398 O LYS A 24 -0.775 7.481 13.954 1.00 0.00 O ATOM 399 CB LYS A 24 -1.158 4.115 14.816 1.00 0.00 C ATOM 400 CG LYS A 24 -0.331 4.282 16.099 1.00 0.00 C ATOM 401 CD LYS A 24 -1.219 4.042 17.328 1.00 0.00 C ATOM 402 CE LYS A 24 -1.246 2.548 17.664 1.00 0.00 C ATOM 403 NZ LYS A 24 -2.402 2.261 18.559 1.00 0.00 N ATOM 0 H LYS A 24 -3.121 4.279 13.243 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.113 5.969 15.403 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.882 3.310 14.942 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.507 3.832 13.988 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.502 3.579 16.099 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.097 5.284 16.139 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.840 4.609 18.178 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.230 4.399 17.133 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.326 1.960 16.750 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.315 2.257 18.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.421 1.247 18.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.307 2.812 19.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.286 2.524 18.079 1.00 0.00 H new ATOM 417 N TYR A 25 -0.418 5.760 12.553 1.00 0.00 N ATOM 418 CA TYR A 25 0.488 6.539 11.702 1.00 0.00 C ATOM 419 C TYR A 25 -0.107 6.812 10.323 1.00 0.00 C ATOM 420 O TYR A 25 -0.264 7.968 9.930 1.00 0.00 O ATOM 421 CB TYR A 25 1.817 5.800 11.543 1.00 0.00 C ATOM 422 CG TYR A 25 2.201 5.165 12.859 1.00 0.00 C ATOM 423 CD1 TYR A 25 2.153 3.774 13.006 1.00 0.00 C ATOM 424 CD2 TYR A 25 2.607 5.970 13.930 1.00 0.00 C ATOM 425 CE1 TYR A 25 2.513 3.186 14.224 1.00 0.00 C ATOM 426 CE2 TYR A 25 2.965 5.382 15.149 1.00 0.00 C ATOM 427 CZ TYR A 25 2.919 3.991 15.295 1.00 0.00 C ATOM 428 OH TYR A 25 3.274 3.411 16.497 1.00 0.00 O ATOM 0 H TYR A 25 -0.567 4.796 12.254 1.00 0.00 H new ATOM 0 HA TYR A 25 0.647 7.499 12.193 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.730 5.036 10.770 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.594 6.493 11.221 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.838 3.154 12.179 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.644 7.043 13.816 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.478 2.113 14.338 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.277 6.002 15.977 1.00 0.00 H new ATOM 0 HH TYR A 25 3.532 4.110 17.134 1.00 0.00 H new ATOM 438 N ILE A 26 -0.420 5.754 9.582 1.00 0.00 N ATOM 439 CA ILE A 26 -0.975 5.918 8.242 1.00 0.00 C ATOM 440 C ILE A 26 -1.999 7.045 8.231 1.00 0.00 C ATOM 441 O ILE A 26 -1.947 7.935 7.383 1.00 0.00 O ATOM 442 CB ILE A 26 -1.633 4.617 7.771 1.00 0.00 C ATOM 443 CG1 ILE A 26 -0.809 3.415 8.251 1.00 0.00 C ATOM 444 CG2 ILE A 26 -1.707 4.604 6.242 1.00 0.00 C ATOM 445 CD1 ILE A 26 0.667 3.616 7.895 1.00 0.00 C ATOM 0 H ILE A 26 -0.301 4.786 9.881 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.161 6.168 7.561 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.639 4.554 8.186 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.919 3.296 9.329 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.182 2.501 7.789 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.175 3.678 5.908 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.298 5.453 5.899 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.701 4.671 5.828 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.244 2.758 8.239 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.771 3.713 6.814 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.038 4.520 8.378 1.00 0.00 H new ATOM 457 N LYS A 27 -2.920 6.997 9.192 1.00 0.00 N ATOM 458 CA LYS A 27 -3.966 8.016 9.319 1.00 0.00 C ATOM 459 C LYS A 27 -4.138 8.805 8.020 1.00 0.00 C ATOM 460 O LYS A 27 -4.247 8.223 6.941 1.00 0.00 O ATOM 461 CB LYS A 27 -3.611 8.972 10.463 1.00 0.00 C ATOM 462 CG LYS A 27 -4.881 9.656 10.976 1.00 0.00 C ATOM 463 CD LYS A 27 -4.509 10.721 12.011 1.00 0.00 C ATOM 464 CE LYS A 27 -5.699 11.655 12.234 1.00 0.00 C ATOM 465 NZ LYS A 27 -5.316 12.724 13.199 1.00 0.00 N ATOM 0 H LYS A 27 -2.965 6.262 9.897 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.909 7.513 9.533 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.130 8.423 11.272 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.898 9.720 10.117 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.420 10.113 10.146 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.548 8.919 11.422 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.225 10.247 12.950 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.646 11.291 11.668 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.010 12.098 11.288 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.550 11.092 12.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.125 13.360 13.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.040 12.292 14.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.516 13.267 12.816 1.00 0.00 H new ATOM 479 N ASP A 28 -4.154 10.131 8.133 1.00 0.00 N ATOM 480 CA ASP A 28 -4.307 10.995 6.965 1.00 0.00 C ATOM 481 C ASP A 28 -3.162 12.002 6.902 1.00 0.00 C ATOM 482 O ASP A 28 -3.366 13.200 7.098 1.00 0.00 O ATOM 483 CB ASP A 28 -5.642 11.740 7.039 1.00 0.00 C ATOM 484 CG ASP A 28 -5.996 12.320 5.674 1.00 0.00 C ATOM 485 OD1 ASP A 28 -5.589 13.438 5.403 1.00 0.00 O ATOM 486 OD2 ASP A 28 -6.669 11.637 4.918 1.00 0.00 O ATOM 0 H ASP A 28 -4.063 10.629 9.018 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.288 10.377 6.067 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -6.428 11.061 7.369 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -5.581 12.539 7.777 1.00 0.00 H new ATOM 491 N ILE A 29 -1.956 11.506 6.637 1.00 0.00 N ATOM 492 CA ILE A 29 -0.784 12.371 6.557 1.00 0.00 C ATOM 493 C ILE A 29 -0.981 13.445 5.491 1.00 0.00 C ATOM 494 O ILE A 29 -2.091 13.934 5.286 1.00 0.00 O ATOM 495 CB ILE A 29 0.466 11.542 6.233 1.00 0.00 C ATOM 496 CG1 ILE A 29 0.329 10.148 6.856 1.00 0.00 C ATOM 497 CG2 ILE A 29 1.708 12.237 6.803 1.00 0.00 C ATOM 498 CD1 ILE A 29 1.665 9.407 6.762 1.00 0.00 C ATOM 0 H ILE A 29 -1.766 10.517 6.475 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.651 12.857 7.524 1.00 0.00 H new ATOM 0 HB ILE A 29 0.569 11.450 5.152 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.022 10.234 7.898 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.448 9.584 6.340 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.594 11.646 6.571 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.806 13.228 6.359 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.608 12.332 7.884 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.564 8.417 7.206 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.953 9.308 5.715 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.431 9.968 7.298 1.00 0.00 H new ATOM 510 N ASN A 30 0.104 13.808 4.814 1.00 0.00 N ATOM 511 CA ASN A 30 0.033 14.826 3.772 1.00 0.00 C ATOM 512 C ASN A 30 1.315 14.848 2.947 1.00 0.00 C ATOM 513 O ASN A 30 1.644 15.858 2.324 1.00 0.00 O ATOM 514 CB ASN A 30 -0.193 16.203 4.401 1.00 0.00 C ATOM 515 CG ASN A 30 0.899 16.493 5.425 1.00 0.00 C ATOM 516 OD1 ASN A 30 1.742 15.638 5.694 1.00 0.00 O ATOM 517 ND2 ASN A 30 0.935 17.656 6.017 1.00 0.00 N ATOM 0 H ASN A 30 1.034 13.417 4.966 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.802 14.583 3.115 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.191 16.971 3.627 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.171 16.237 4.881 1.00 0.00 H new ATOM 0 HD21 ASN A 30 1.662 17.857 6.703 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.236 18.364 5.793 1.00 0.00 H new ATOM 524 N ARG A 31 2.037 13.729 2.943 1.00 0.00 N ATOM 525 CA ARG A 31 3.282 13.638 2.185 1.00 0.00 C ATOM 526 C ARG A 31 3.350 12.315 1.424 1.00 0.00 C ATOM 527 O ARG A 31 3.895 11.323 1.911 1.00 0.00 O ATOM 528 CB ARG A 31 4.487 13.767 3.126 1.00 0.00 C ATOM 529 CG ARG A 31 4.942 15.230 3.207 1.00 0.00 C ATOM 530 CD ARG A 31 5.859 15.554 2.026 1.00 0.00 C ATOM 531 NE ARG A 31 6.303 16.941 2.099 1.00 0.00 N ATOM 532 CZ ARG A 31 5.513 17.937 1.712 1.00 0.00 C ATOM 533 NH1 ARG A 31 4.318 17.680 1.256 1.00 0.00 N ATOM 534 NH2 ARG A 31 5.932 19.170 1.786 1.00 0.00 N ATOM 0 H ARG A 31 1.784 12.881 3.451 1.00 0.00 H new ATOM 0 HA ARG A 31 3.308 14.455 1.464 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.222 13.405 4.120 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.306 13.143 2.768 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.075 15.891 3.198 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.467 15.406 4.146 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.722 14.888 2.032 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.331 15.383 1.088 1.00 0.00 H new ATOM 0 HE ARG A 31 7.236 17.150 2.453 1.00 0.00 H new ATOM 0 HH11 ARG A 31 3.991 16.716 1.197 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.711 18.443 0.959 1.00 0.00 H new ATOM 0 HH21 ARG A 31 6.867 19.370 2.141 1.00 0.00 H new ATOM 0 HH22 ARG A 31 5.325 19.934 1.489 1.00 0.00 H new ATOM 548 N PHE A 32 2.796 12.330 0.218 1.00 0.00 N ATOM 549 CA PHE A 32 2.785 11.159 -0.650 1.00 0.00 C ATOM 550 C PHE A 32 2.803 11.617 -2.102 1.00 0.00 C ATOM 551 O PHE A 32 1.972 12.427 -2.512 1.00 0.00 O ATOM 552 CB PHE A 32 1.534 10.316 -0.388 1.00 0.00 C ATOM 553 CG PHE A 32 0.300 11.155 -0.617 1.00 0.00 C ATOM 554 CD1 PHE A 32 -0.272 11.863 0.448 1.00 0.00 C ATOM 555 CD2 PHE A 32 -0.274 11.225 -1.891 1.00 0.00 C ATOM 556 CE1 PHE A 32 -1.418 12.638 0.238 1.00 0.00 C ATOM 557 CE2 PHE A 32 -1.419 12.002 -2.102 1.00 0.00 C ATOM 558 CZ PHE A 32 -1.992 12.709 -1.038 1.00 0.00 C ATOM 0 H PHE A 32 2.343 13.151 -0.185 1.00 0.00 H new ATOM 0 HA PHE A 32 3.664 10.549 -0.444 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.523 9.448 -1.048 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.545 9.939 0.635 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.172 11.811 1.431 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.167 10.679 -2.712 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.860 13.182 1.060 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.861 12.056 -3.086 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.876 13.308 -1.201 1.00 0.00 H new ATOM 568 N VAL A 33 3.764 11.116 -2.874 1.00 0.00 N ATOM 569 CA VAL A 33 3.881 11.512 -4.275 1.00 0.00 C ATOM 570 C VAL A 33 4.004 10.303 -5.191 1.00 0.00 C ATOM 571 O VAL A 33 4.645 9.308 -4.848 1.00 0.00 O ATOM 572 CB VAL A 33 5.103 12.414 -4.459 1.00 0.00 C ATOM 573 CG1 VAL A 33 4.957 13.654 -3.575 1.00 0.00 C ATOM 574 CG2 VAL A 33 6.366 11.647 -4.059 1.00 0.00 C ATOM 0 H VAL A 33 4.464 10.444 -2.559 1.00 0.00 H new ATOM 0 HA VAL A 33 2.973 12.052 -4.544 1.00 0.00 H new ATOM 0 HB VAL A 33 5.178 12.719 -5.503 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.827 14.298 -3.705 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.057 14.199 -3.859 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.883 13.350 -2.531 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.238 12.288 -4.190 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.292 11.343 -3.015 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.469 10.762 -4.688 1.00 0.00 H new ATOM 584 N PHE A 34 3.385 10.405 -6.362 1.00 0.00 N ATOM 585 CA PHE A 34 3.423 9.328 -7.344 1.00 0.00 C ATOM 586 C PHE A 34 3.711 9.899 -8.729 1.00 0.00 C ATOM 587 O PHE A 34 2.941 9.701 -9.669 1.00 0.00 O ATOM 588 CB PHE A 34 2.083 8.590 -7.353 1.00 0.00 C ATOM 589 CG PHE A 34 0.958 9.592 -7.360 1.00 0.00 C ATOM 590 CD1 PHE A 34 0.314 9.912 -8.559 1.00 0.00 C ATOM 591 CD2 PHE A 34 0.562 10.199 -6.164 1.00 0.00 C ATOM 592 CE1 PHE A 34 -0.731 10.845 -8.564 1.00 0.00 C ATOM 593 CE2 PHE A 34 -0.484 11.131 -6.167 1.00 0.00 C ATOM 594 CZ PHE A 34 -1.129 11.455 -7.367 1.00 0.00 C ATOM 0 H PHE A 34 2.851 11.223 -6.654 1.00 0.00 H new ATOM 0 HA PHE A 34 4.215 8.628 -7.077 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.016 7.946 -8.230 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.005 7.945 -6.478 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.622 9.440 -9.480 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.062 9.950 -5.240 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.229 11.094 -9.489 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.793 11.599 -5.244 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.934 12.175 -7.370 1.00 0.00 H new ATOM 604 N LYS A 35 4.832 10.611 -8.842 1.00 0.00 N ATOM 605 CA LYS A 35 5.230 11.216 -10.111 1.00 0.00 C ATOM 606 C LYS A 35 6.607 10.712 -10.527 1.00 0.00 C ATOM 607 O LYS A 35 7.513 11.498 -10.801 1.00 0.00 O ATOM 608 CB LYS A 35 5.266 12.740 -9.972 1.00 0.00 C ATOM 609 CG LYS A 35 5.304 13.380 -11.362 1.00 0.00 C ATOM 610 CD LYS A 35 5.586 14.879 -11.228 1.00 0.00 C ATOM 611 CE LYS A 35 5.541 15.533 -12.611 1.00 0.00 C ATOM 612 NZ LYS A 35 6.217 14.647 -13.602 1.00 0.00 N ATOM 0 H LYS A 35 5.479 10.782 -8.072 1.00 0.00 H new ATOM 0 HA LYS A 35 4.503 10.937 -10.874 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.389 13.086 -9.425 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.141 13.043 -9.397 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.075 12.907 -11.970 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.354 13.222 -11.872 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.849 15.341 -10.571 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.563 15.037 -10.771 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.507 15.708 -12.909 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.033 16.505 -12.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.475 15.201 -14.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.076 14.243 -13.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.572 13.879 -13.877 1.00 0.00 H new ATOM 626 N ASN A 36 6.758 9.394 -10.565 1.00 0.00 N ATOM 627 CA ASN A 36 8.029 8.792 -10.942 1.00 0.00 C ATOM 628 C ASN A 36 7.890 7.274 -11.023 1.00 0.00 C ATOM 629 O ASN A 36 8.654 6.534 -10.407 1.00 0.00 O ATOM 630 CB ASN A 36 9.105 9.174 -9.918 1.00 0.00 C ATOM 631 CG ASN A 36 8.479 9.316 -8.534 1.00 0.00 C ATOM 632 OD1 ASN A 36 7.488 8.651 -8.230 1.00 0.00 O ATOM 633 ND2 ASN A 36 8.998 10.149 -7.675 1.00 0.00 N ATOM 0 H ASN A 36 6.021 8.726 -10.341 1.00 0.00 H new ATOM 0 HA ASN A 36 8.324 9.165 -11.923 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.886 8.413 -9.897 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.580 10.111 -10.209 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.583 10.251 -6.749 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.819 10.698 -7.929 1.00 0.00 H new ATOM 640 N ASN A 37 6.903 6.823 -11.793 1.00 0.00 N ATOM 641 CA ASN A 37 6.657 5.394 -11.962 1.00 0.00 C ATOM 642 C ASN A 37 6.771 4.654 -10.630 1.00 0.00 C ATOM 643 O ASN A 37 6.905 3.434 -10.604 1.00 0.00 O ATOM 644 CB ASN A 37 7.648 4.809 -12.977 1.00 0.00 C ATOM 645 CG ASN A 37 8.944 4.390 -12.288 1.00 0.00 C ATOM 646 OD1 ASN A 37 9.124 3.214 -11.969 1.00 0.00 O ATOM 647 ND2 ASN A 37 9.862 5.284 -12.041 1.00 0.00 N ATOM 0 H ASN A 37 6.262 7.425 -12.309 1.00 0.00 H new ATOM 0 HA ASN A 37 5.641 5.264 -12.335 1.00 0.00 H new ATOM 0 HB2 ASN A 37 7.201 3.949 -13.475 1.00 0.00 H new ATOM 0 HB3 ASN A 37 7.863 5.548 -13.749 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.731 5.010 -11.583 1.00 0.00 H new ATOM 0 HD22 ASN A 37 9.711 6.257 -12.306 1.00 0.00 H new ATOM 654 N VAL A 38 6.715 5.396 -9.528 1.00 0.00 N ATOM 655 CA VAL A 38 6.813 4.788 -8.204 1.00 0.00 C ATOM 656 C VAL A 38 6.002 5.581 -7.186 1.00 0.00 C ATOM 657 O VAL A 38 5.670 6.744 -7.414 1.00 0.00 O ATOM 658 CB VAL A 38 8.273 4.731 -7.774 1.00 0.00 C ATOM 659 CG1 VAL A 38 8.374 4.127 -6.373 1.00 0.00 C ATOM 660 CG2 VAL A 38 9.045 3.862 -8.765 1.00 0.00 C ATOM 0 H VAL A 38 6.603 6.410 -9.524 1.00 0.00 H new ATOM 0 HA VAL A 38 6.409 3.777 -8.253 1.00 0.00 H new ATOM 0 HB VAL A 38 8.693 5.737 -7.758 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.420 4.088 -6.068 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.814 4.744 -5.670 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.960 3.119 -6.381 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.092 3.814 -8.467 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.623 2.857 -8.773 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.971 4.294 -9.763 1.00 0.00 H new ATOM 670 N LEU A 39 5.674 4.938 -6.066 1.00 0.00 N ATOM 671 CA LEU A 39 4.888 5.589 -5.024 1.00 0.00 C ATOM 672 C LEU A 39 5.640 5.600 -3.695 1.00 0.00 C ATOM 673 O LEU A 39 5.974 4.544 -3.146 1.00 0.00 O ATOM 674 CB LEU A 39 3.551 4.866 -4.846 1.00 0.00 C ATOM 675 CG LEU A 39 2.674 5.090 -6.085 1.00 0.00 C ATOM 676 CD1 LEU A 39 2.976 4.021 -7.131 1.00 0.00 C ATOM 677 CD2 LEU A 39 1.196 5.013 -5.692 1.00 0.00 C ATOM 0 H LEU A 39 5.939 3.975 -5.860 1.00 0.00 H new ATOM 0 HA LEU A 39 4.710 6.619 -5.332 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.720 3.800 -4.696 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.042 5.236 -3.956 1.00 0.00 H new ATOM 0 HG LEU A 39 2.889 6.075 -6.501 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.351 4.184 -8.009 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.026 4.079 -7.417 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.767 3.035 -6.715 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.576 5.173 -6.574 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.982 4.031 -5.271 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.976 5.781 -4.950 1.00 0.00 H new ATOM 689 N LEU A 40 5.899 6.802 -3.177 1.00 0.00 N ATOM 690 CA LEU A 40 6.611 6.951 -1.909 1.00 0.00 C ATOM 691 C LEU A 40 5.706 7.658 -0.900 1.00 0.00 C ATOM 692 O LEU A 40 4.936 8.549 -1.262 1.00 0.00 O ATOM 693 CB LEU A 40 7.901 7.763 -2.134 1.00 0.00 C ATOM 694 CG LEU A 40 9.115 7.051 -1.519 1.00 0.00 C ATOM 695 CD1 LEU A 40 10.393 7.537 -2.205 1.00 0.00 C ATOM 696 CD2 LEU A 40 9.202 7.374 -0.026 1.00 0.00 C ATOM 0 H LEU A 40 5.627 7.682 -3.615 1.00 0.00 H new ATOM 0 HA LEU A 40 6.878 5.969 -1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.062 7.907 -3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.793 8.753 -1.691 1.00 0.00 H new ATOM 0 HG LEU A 40 9.005 5.975 -1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.255 7.032 -1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.342 7.313 -3.270 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.494 8.613 -2.065 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.065 6.867 0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.309 8.450 0.108 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.294 7.035 0.473 1.00 0.00 H new ATOM 708 N ILE A 41 5.797 7.248 0.366 1.00 0.00 N ATOM 709 CA ILE A 41 4.967 7.848 1.412 1.00 0.00 C ATOM 710 C ILE A 41 5.759 8.065 2.701 1.00 0.00 C ATOM 711 O ILE A 41 6.533 7.204 3.128 1.00 0.00 O ATOM 712 CB ILE A 41 3.760 6.954 1.701 1.00 0.00 C ATOM 713 CG1 ILE A 41 2.930 6.786 0.424 1.00 0.00 C ATOM 714 CG2 ILE A 41 2.893 7.599 2.789 1.00 0.00 C ATOM 715 CD1 ILE A 41 1.785 5.804 0.681 1.00 0.00 C ATOM 0 H ILE A 41 6.427 6.514 0.689 1.00 0.00 H new ATOM 0 HA ILE A 41 4.630 8.819 1.050 1.00 0.00 H new ATOM 0 HB ILE A 41 4.106 5.978 2.042 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.532 7.750 0.108 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.561 6.421 -0.386 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.033 6.962 2.994 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.481 7.720 3.699 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.548 8.575 2.448 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.196 5.686 -0.228 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.194 4.838 0.977 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.149 6.188 1.478 1.00 0.00 H new ATOM 727 N LEU A 42 5.558 9.233 3.301 1.00 0.00 N ATOM 728 CA LEU A 42 6.246 9.599 4.536 1.00 0.00 C ATOM 729 C LEU A 42 5.958 8.602 5.659 1.00 0.00 C ATOM 730 O LEU A 42 4.805 8.256 5.918 1.00 0.00 O ATOM 731 CB LEU A 42 5.781 10.998 4.976 1.00 0.00 C ATOM 732 CG LEU A 42 6.978 11.933 5.200 1.00 0.00 C ATOM 733 CD1 LEU A 42 8.005 11.263 6.128 1.00 0.00 C ATOM 734 CD2 LEU A 42 7.626 12.276 3.848 1.00 0.00 C ATOM 0 H LEU A 42 4.920 9.947 2.950 1.00 0.00 H new ATOM 0 HA LEU A 42 7.318 9.592 4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.122 11.421 4.218 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.200 10.919 5.895 1.00 0.00 H new ATOM 0 HG LEU A 42 6.632 12.853 5.672 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.850 11.934 6.280 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.539 11.043 7.088 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.355 10.336 5.674 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.475 12.940 4.010 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.968 11.360 3.366 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.895 12.771 3.209 1.00 0.00 H new ATOM 746 N LEU A 43 7.016 8.170 6.341 1.00 0.00 N ATOM 747 CA LEU A 43 6.876 7.240 7.459 1.00 0.00 C ATOM 748 C LEU A 43 8.098 7.320 8.370 1.00 0.00 C ATOM 749 O LEU A 43 9.184 6.865 8.010 1.00 0.00 O ATOM 750 CB LEU A 43 6.707 5.808 6.949 1.00 0.00 C ATOM 751 CG LEU A 43 6.603 4.847 8.141 1.00 0.00 C ATOM 752 CD1 LEU A 43 5.307 5.114 8.915 1.00 0.00 C ATOM 753 CD2 LEU A 43 6.603 3.405 7.637 1.00 0.00 C ATOM 0 H LEU A 43 7.977 8.448 6.140 1.00 0.00 H new ATOM 0 HA LEU A 43 5.988 7.519 8.026 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.813 5.735 6.330 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.553 5.533 6.320 1.00 0.00 H new ATOM 0 HG LEU A 43 7.456 5.005 8.801 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.240 4.428 9.760 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.306 6.141 9.280 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.452 4.963 8.256 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.529 2.723 8.484 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.752 3.252 6.973 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.527 3.209 7.094 1.00 0.00 H new ATOM 765 N GLU A 44 7.913 7.900 9.552 1.00 0.00 N ATOM 766 CA GLU A 44 9.008 8.034 10.510 1.00 0.00 C ATOM 767 C GLU A 44 9.070 6.820 11.433 1.00 0.00 C ATOM 768 O GLU A 44 10.134 6.234 11.634 1.00 0.00 O ATOM 769 CB GLU A 44 8.815 9.298 11.350 1.00 0.00 C ATOM 770 CG GLU A 44 8.502 10.482 10.434 1.00 0.00 C ATOM 771 CD GLU A 44 8.454 11.770 11.248 1.00 0.00 C ATOM 772 OE1 GLU A 44 7.625 12.610 10.942 1.00 0.00 O ATOM 773 OE2 GLU A 44 9.248 11.897 12.166 1.00 0.00 O ATOM 0 H GLU A 44 7.022 8.283 9.869 1.00 0.00 H new ATOM 0 HA GLU A 44 9.942 8.102 9.953 1.00 0.00 H new ATOM 0 HB2 GLU A 44 8.003 9.152 12.063 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.715 9.502 11.930 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.261 10.562 9.656 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.547 10.323 9.933 1.00 0.00 H new ATOM 780 N ASN A 45 7.924 6.453 11.998 1.00 0.00 N ATOM 781 CA ASN A 45 7.858 5.311 12.906 1.00 0.00 C ATOM 782 C ASN A 45 8.691 4.146 12.375 1.00 0.00 C ATOM 783 O ASN A 45 8.422 3.616 11.296 1.00 0.00 O ATOM 784 CB ASN A 45 6.404 4.867 13.082 1.00 0.00 C ATOM 785 CG ASN A 45 5.688 5.803 14.050 1.00 0.00 C ATOM 786 OD1 ASN A 45 5.577 5.502 15.238 1.00 0.00 O ATOM 787 ND2 ASN A 45 5.194 6.928 13.610 1.00 0.00 N ATOM 0 H ASN A 45 7.033 6.926 11.845 1.00 0.00 H new ATOM 0 HA ASN A 45 8.264 5.617 13.870 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.895 4.868 12.118 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.370 3.845 13.459 1.00 0.00 H new ATOM 0 HD21 ASN A 45 4.715 7.560 14.251 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.287 7.175 12.625 1.00 0.00 H new ATOM 794 N GLU A 46 9.699 3.753 13.147 1.00 0.00 N ATOM 795 CA GLU A 46 10.567 2.650 12.752 1.00 0.00 C ATOM 796 C GLU A 46 9.798 1.333 12.754 1.00 0.00 C ATOM 797 O GLU A 46 10.034 0.466 11.911 1.00 0.00 O ATOM 798 CB GLU A 46 11.756 2.552 13.713 1.00 0.00 C ATOM 799 CG GLU A 46 12.541 1.268 13.432 1.00 0.00 C ATOM 800 CD GLU A 46 13.943 1.371 14.025 1.00 0.00 C ATOM 801 OE1 GLU A 46 14.341 0.451 14.720 1.00 0.00 O ATOM 802 OE2 GLU A 46 14.597 2.370 13.775 1.00 0.00 O ATOM 0 H GLU A 46 9.934 4.179 14.044 1.00 0.00 H new ATOM 0 HA GLU A 46 10.930 2.842 11.742 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.405 3.420 13.594 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.404 2.556 14.745 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.019 0.412 13.860 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.604 1.099 12.357 1.00 0.00 H new ATOM 809 N PHE A 47 8.877 1.187 13.701 1.00 0.00 N ATOM 810 CA PHE A 47 8.083 -0.030 13.792 1.00 0.00 C ATOM 811 C PHE A 47 7.230 -0.189 12.541 1.00 0.00 C ATOM 812 O PHE A 47 7.457 -1.087 11.730 1.00 0.00 O ATOM 813 CB PHE A 47 7.182 0.022 15.027 1.00 0.00 C ATOM 814 CG PHE A 47 8.026 -0.116 16.272 1.00 0.00 C ATOM 815 CD1 PHE A 47 8.712 0.995 16.778 1.00 0.00 C ATOM 816 CD2 PHE A 47 8.122 -1.353 16.920 1.00 0.00 C ATOM 817 CE1 PHE A 47 9.493 0.869 17.932 1.00 0.00 C ATOM 818 CE2 PHE A 47 8.905 -1.479 18.074 1.00 0.00 C ATOM 819 CZ PHE A 47 9.591 -0.369 18.580 1.00 0.00 C ATOM 0 H PHE A 47 8.664 1.890 14.409 1.00 0.00 H new ATOM 0 HA PHE A 47 8.756 -0.883 13.878 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.632 0.963 15.050 1.00 0.00 H new ATOM 0 HB3 PHE A 47 6.443 -0.778 14.985 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.638 1.949 16.277 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.592 -2.210 16.530 1.00 0.00 H new ATOM 0 HE1 PHE A 47 10.020 1.726 18.323 1.00 0.00 H new ATOM 0 HE2 PHE A 47 8.980 -2.433 18.574 1.00 0.00 H new ATOM 0 HZ PHE A 47 10.196 -0.467 19.470 1.00 0.00 H new ATOM 829 N ALA A 48 6.252 0.696 12.389 1.00 0.00 N ATOM 830 CA ALA A 48 5.370 0.658 11.228 1.00 0.00 C ATOM 831 C ALA A 48 6.167 0.350 9.966 1.00 0.00 C ATOM 832 O ALA A 48 5.725 -0.412 9.108 1.00 0.00 O ATOM 833 CB ALA A 48 4.669 2.007 11.066 1.00 0.00 C ATOM 0 H ALA A 48 6.050 1.445 13.051 1.00 0.00 H new ATOM 0 HA ALA A 48 4.628 -0.125 11.381 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.011 1.973 10.197 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.081 2.221 11.958 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.414 2.790 10.927 1.00 0.00 H new ATOM 839 N ARG A 49 7.348 0.947 9.871 1.00 0.00 N ATOM 840 CA ARG A 49 8.211 0.738 8.716 1.00 0.00 C ATOM 841 C ARG A 49 8.790 -0.673 8.734 1.00 0.00 C ATOM 842 O ARG A 49 8.924 -1.315 7.692 1.00 0.00 O ATOM 843 CB ARG A 49 9.344 1.769 8.735 1.00 0.00 C ATOM 844 CG ARG A 49 9.957 1.908 7.335 1.00 0.00 C ATOM 845 CD ARG A 49 10.602 3.289 7.199 1.00 0.00 C ATOM 846 NE ARG A 49 11.226 3.680 8.459 1.00 0.00 N ATOM 847 CZ ARG A 49 12.427 3.225 8.801 1.00 0.00 C ATOM 848 NH1 ARG A 49 13.068 2.409 8.009 1.00 0.00 N ATOM 849 NH2 ARG A 49 12.966 3.593 9.931 1.00 0.00 N ATOM 0 H ARG A 49 7.729 1.577 10.577 1.00 0.00 H new ATOM 0 HA ARG A 49 7.624 0.859 7.806 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.962 2.733 9.070 1.00 0.00 H new ATOM 0 HB3 ARG A 49 10.111 1.464 9.447 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.702 1.129 7.173 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.188 1.777 6.574 1.00 0.00 H new ATOM 0 HD2 ARG A 49 11.348 3.273 6.405 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.849 4.024 6.914 1.00 0.00 H new ATOM 0 HE ARG A 49 10.732 4.313 9.088 1.00 0.00 H new ATOM 0 HH11 ARG A 49 12.647 2.120 7.126 1.00 0.00 H new ATOM 0 HH12 ARG A 49 13.990 2.061 8.273 1.00 0.00 H new ATOM 0 HH21 ARG A 49 12.466 4.230 10.551 1.00 0.00 H new ATOM 0 HH22 ARG A 49 13.888 3.244 10.194 1.00 0.00 H new ATOM 863 N ASN A 50 9.136 -1.143 9.925 1.00 0.00 N ATOM 864 CA ASN A 50 9.709 -2.474 10.078 1.00 0.00 C ATOM 865 C ASN A 50 8.834 -3.527 9.398 1.00 0.00 C ATOM 866 O ASN A 50 9.319 -4.372 8.649 1.00 0.00 O ATOM 867 CB ASN A 50 9.825 -2.812 11.565 1.00 0.00 C ATOM 868 CG ASN A 50 10.672 -4.066 11.750 1.00 0.00 C ATOM 869 OD1 ASN A 50 10.181 -5.180 11.569 1.00 0.00 O ATOM 870 ND2 ASN A 50 11.923 -3.951 12.102 1.00 0.00 N ATOM 0 H ASN A 50 9.030 -0.624 10.797 1.00 0.00 H new ATOM 0 HA ASN A 50 10.694 -2.478 9.610 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.275 -1.977 12.102 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.833 -2.967 11.990 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.496 -4.785 12.228 1.00 0.00 H new ATOM 0 HD22 ASN A 50 12.328 -3.027 12.251 1.00 0.00 H new ATOM 877 N SER A 51 7.539 -3.470 9.707 1.00 0.00 N ATOM 878 CA SER A 51 6.559 -4.420 9.176 1.00 0.00 C ATOM 879 C SER A 51 6.034 -4.015 7.797 1.00 0.00 C ATOM 880 O SER A 51 5.896 -4.856 6.908 1.00 0.00 O ATOM 881 CB SER A 51 5.382 -4.510 10.155 1.00 0.00 C ATOM 882 OG SER A 51 5.319 -5.825 10.692 1.00 0.00 O ATOM 0 H SER A 51 7.140 -2.768 10.330 1.00 0.00 H new ATOM 0 HA SER A 51 7.057 -5.383 9.064 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.505 -3.782 10.957 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.450 -4.268 9.645 1.00 0.00 H new ATOM 0 HG SER A 51 4.569 -5.886 11.320 1.00 0.00 H new ATOM 888 N LEU A 52 5.719 -2.736 7.623 1.00 0.00 N ATOM 889 CA LEU A 52 5.187 -2.272 6.346 1.00 0.00 C ATOM 890 C LEU A 52 6.078 -2.715 5.193 1.00 0.00 C ATOM 891 O LEU A 52 5.591 -3.254 4.199 1.00 0.00 O ATOM 892 CB LEU A 52 5.053 -0.744 6.345 1.00 0.00 C ATOM 893 CG LEU A 52 3.792 -0.333 7.120 1.00 0.00 C ATOM 894 CD1 LEU A 52 3.869 1.154 7.475 1.00 0.00 C ATOM 895 CD2 LEU A 52 2.542 -0.582 6.264 1.00 0.00 C ATOM 0 H LEU A 52 5.820 -2.013 8.336 1.00 0.00 H new ATOM 0 HA LEU A 52 4.200 -2.715 6.212 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.934 -0.292 6.800 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.998 -0.375 5.321 1.00 0.00 H new ATOM 0 HG LEU A 52 3.729 -0.928 8.031 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.973 1.444 8.025 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.749 1.336 8.093 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.940 1.743 6.561 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.654 -0.287 6.823 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.606 0.005 5.348 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.478 -1.641 6.013 1.00 0.00 H new ATOM 907 N ASN A 53 7.380 -2.489 5.322 1.00 0.00 N ATOM 908 CA ASN A 53 8.306 -2.879 4.266 1.00 0.00 C ATOM 909 C ASN A 53 8.572 -4.381 4.315 1.00 0.00 C ATOM 910 O ASN A 53 9.121 -4.951 3.372 1.00 0.00 O ATOM 911 CB ASN A 53 9.617 -2.103 4.389 1.00 0.00 C ATOM 912 CG ASN A 53 10.503 -2.380 3.180 1.00 0.00 C ATOM 913 OD1 ASN A 53 10.042 -2.306 2.042 1.00 0.00 O ATOM 914 ND2 ASN A 53 11.756 -2.697 3.361 1.00 0.00 N ATOM 0 H ASN A 53 7.813 -2.046 6.132 1.00 0.00 H new ATOM 0 HA ASN A 53 7.851 -2.639 3.305 1.00 0.00 H new ATOM 0 HB2 ASN A 53 9.411 -1.035 4.462 1.00 0.00 H new ATOM 0 HB3 ASN A 53 10.135 -2.391 5.304 1.00 0.00 H new ATOM 0 HD21 ASN A 53 12.356 -2.884 2.558 1.00 0.00 H new ATOM 0 HD22 ASN A 53 12.135 -2.758 4.306 1.00 0.00 H new ATOM 921 N ASP A 54 8.163 -5.022 5.406 1.00 0.00 N ATOM 922 CA ASP A 54 8.349 -6.463 5.536 1.00 0.00 C ATOM 923 C ASP A 54 7.389 -7.187 4.603 1.00 0.00 C ATOM 924 O ASP A 54 7.660 -8.297 4.145 1.00 0.00 O ATOM 925 CB ASP A 54 8.090 -6.906 6.977 1.00 0.00 C ATOM 926 CG ASP A 54 8.560 -8.343 7.171 1.00 0.00 C ATOM 927 OD1 ASP A 54 9.201 -8.862 6.273 1.00 0.00 O ATOM 928 OD2 ASP A 54 8.272 -8.903 8.217 1.00 0.00 O ATOM 0 H ASP A 54 7.707 -4.575 6.201 1.00 0.00 H new ATOM 0 HA ASP A 54 9.377 -6.710 5.270 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.614 -6.246 7.669 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.027 -6.828 7.205 1.00 0.00 H new ATOM 933 N ASN A 55 6.261 -6.537 4.325 1.00 0.00 N ATOM 934 CA ASN A 55 5.249 -7.105 3.442 1.00 0.00 C ATOM 935 C ASN A 55 4.482 -5.991 2.734 1.00 0.00 C ATOM 936 O ASN A 55 3.259 -5.902 2.839 1.00 0.00 O ATOM 937 CB ASN A 55 4.275 -7.967 4.247 1.00 0.00 C ATOM 938 CG ASN A 55 5.046 -8.863 5.210 1.00 0.00 C ATOM 939 OD1 ASN A 55 5.339 -8.422 6.403 1.00 0.00 O flip ATOM 940 ND2 ASN A 55 5.392 -9.993 4.867 1.00 0.00 N flip ATOM 0 H ASN A 55 6.026 -5.617 4.699 1.00 0.00 H new ATOM 0 HA ASN A 55 5.746 -7.725 2.696 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.586 -7.330 4.802 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.673 -8.576 3.573 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.162 -10.336 3.934 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.909 -10.587 5.515 1.00 0.00 H new ATOM 947 N SER A 56 5.212 -5.143 2.015 1.00 0.00 N ATOM 948 CA SER A 56 4.595 -4.034 1.295 1.00 0.00 C ATOM 949 C SER A 56 3.927 -4.532 0.018 1.00 0.00 C ATOM 950 O SER A 56 4.079 -3.938 -1.049 1.00 0.00 O ATOM 951 CB SER A 56 5.650 -2.983 0.949 1.00 0.00 C ATOM 952 OG SER A 56 5.931 -2.204 2.104 1.00 0.00 O ATOM 0 H SER A 56 6.225 -5.202 1.916 1.00 0.00 H new ATOM 0 HA SER A 56 3.836 -3.585 1.936 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.559 -3.467 0.592 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.292 -2.343 0.142 1.00 0.00 H new ATOM 0 HG SER A 56 5.471 -2.590 2.879 1.00 0.00 H new ATOM 958 N GLU A 57 3.181 -5.624 0.139 1.00 0.00 N ATOM 959 CA GLU A 57 2.487 -6.194 -1.010 1.00 0.00 C ATOM 960 C GLU A 57 1.299 -5.322 -1.401 1.00 0.00 C ATOM 961 O GLU A 57 0.298 -5.817 -1.917 1.00 0.00 O ATOM 962 CB GLU A 57 1.997 -7.603 -0.675 1.00 0.00 C ATOM 963 CG GLU A 57 3.164 -8.441 -0.153 1.00 0.00 C ATOM 964 CD GLU A 57 2.757 -9.909 -0.077 1.00 0.00 C ATOM 965 OE1 GLU A 57 3.623 -10.752 -0.240 1.00 0.00 O ATOM 966 OE2 GLU A 57 1.585 -10.166 0.142 1.00 0.00 O ATOM 0 H GLU A 57 3.042 -6.129 1.014 1.00 0.00 H new ATOM 0 HA GLU A 57 3.183 -6.240 -1.848 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.207 -7.556 0.074 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.568 -8.070 -1.562 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.027 -8.327 -0.810 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.465 -8.087 0.833 1.00 0.00 H new ATOM 973 N ILE A 58 1.414 -4.022 -1.145 1.00 0.00 N ATOM 974 CA ILE A 58 0.339 -3.091 -1.468 1.00 0.00 C ATOM 975 C ILE A 58 0.094 -3.048 -2.977 1.00 0.00 C ATOM 976 O ILE A 58 -0.975 -2.635 -3.426 1.00 0.00 O ATOM 977 CB ILE A 58 0.693 -1.693 -0.953 1.00 0.00 C ATOM 978 CG1 ILE A 58 1.128 -1.780 0.515 1.00 0.00 C ATOM 979 CG2 ILE A 58 -0.520 -0.769 -1.068 1.00 0.00 C ATOM 980 CD1 ILE A 58 0.067 -2.524 1.333 1.00 0.00 C ATOM 0 H ILE A 58 2.235 -3.592 -0.718 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.575 -3.433 -0.983 1.00 0.00 H new ATOM 0 HB ILE A 58 1.509 -1.291 -1.554 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.085 -2.297 0.589 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.275 -0.778 0.919 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.258 0.223 -0.699 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.826 -0.699 -2.112 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.341 -1.171 -0.475 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.384 -2.581 2.374 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.881 -1.989 1.271 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.058 -3.531 0.936 1.00 0.00 H new ATOM 992 N ILE A 59 1.080 -3.488 -3.753 1.00 0.00 N ATOM 993 CA ILE A 59 0.940 -3.504 -5.206 1.00 0.00 C ATOM 994 C ILE A 59 -0.122 -4.526 -5.613 1.00 0.00 C ATOM 995 O ILE A 59 -0.399 -4.727 -6.794 1.00 0.00 O ATOM 996 CB ILE A 59 2.284 -3.841 -5.856 1.00 0.00 C ATOM 997 CG1 ILE A 59 2.091 -4.082 -7.359 1.00 0.00 C ATOM 998 CG2 ILE A 59 2.864 -5.097 -5.204 1.00 0.00 C ATOM 999 CD1 ILE A 59 3.422 -3.877 -8.086 1.00 0.00 C ATOM 0 H ILE A 59 1.974 -3.834 -3.406 1.00 0.00 H new ATOM 0 HA ILE A 59 0.626 -2.518 -5.548 1.00 0.00 H new ATOM 0 HB ILE A 59 2.971 -3.007 -5.715 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.723 -5.093 -7.531 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.340 -3.398 -7.754 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.821 -5.338 -5.666 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.010 -4.920 -4.138 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.175 -5.930 -5.342 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.284 -4.048 -9.154 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.771 -2.857 -7.925 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.160 -4.579 -7.698 1.00 0.00 H new ATOM 1011 N HIS A 60 -0.720 -5.148 -4.603 1.00 0.00 N ATOM 1012 CA HIS A 60 -1.777 -6.141 -4.797 1.00 0.00 C ATOM 1013 C HIS A 60 -3.111 -5.465 -5.100 1.00 0.00 C ATOM 1014 O HIS A 60 -3.806 -5.842 -6.042 1.00 0.00 O ATOM 1015 CB HIS A 60 -1.928 -6.976 -3.520 1.00 0.00 C ATOM 1016 CG HIS A 60 -0.859 -8.033 -3.476 1.00 0.00 C ATOM 1017 ND1 HIS A 60 -0.893 -9.080 -2.568 1.00 0.00 N ATOM 1018 CD2 HIS A 60 0.276 -8.222 -4.223 1.00 0.00 C ATOM 1019 CE1 HIS A 60 0.192 -9.845 -2.790 1.00 0.00 C ATOM 1020 NE2 HIS A 60 0.938 -9.366 -3.789 1.00 0.00 N ATOM 0 H HIS A 60 -0.487 -4.980 -3.624 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.502 -6.775 -5.640 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.854 -6.333 -2.643 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.914 -7.441 -3.492 1.00 0.00 H new ATOM 0 HD2 HIS A 60 0.606 -7.580 -5.026 1.00 0.00 H new ATOM 0 HE1 HIS A 60 0.430 -10.737 -2.229 1.00 0.00 H new ATOM 0 HE2 HIS A 60 1.807 -9.755 -4.155 1.00 0.00 H new ATOM 1029 N LEU A 61 -3.472 -4.479 -4.289 1.00 0.00 N ATOM 1030 CA LEU A 61 -4.738 -3.771 -4.468 1.00 0.00 C ATOM 1031 C LEU A 61 -4.516 -2.431 -5.166 1.00 0.00 C ATOM 1032 O LEU A 61 -5.284 -2.044 -6.046 1.00 0.00 O ATOM 1033 CB LEU A 61 -5.402 -3.555 -3.099 1.00 0.00 C ATOM 1034 CG LEU A 61 -4.747 -4.461 -2.047 1.00 0.00 C ATOM 1035 CD1 LEU A 61 -3.442 -3.819 -1.547 1.00 0.00 C ATOM 1036 CD2 LEU A 61 -5.712 -4.649 -0.872 1.00 0.00 C ATOM 0 H LEU A 61 -2.911 -4.151 -3.503 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.393 -4.374 -5.097 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.307 -2.511 -2.801 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.468 -3.772 -3.165 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.519 -5.430 -2.492 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.981 -4.466 -0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.757 -3.686 -2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.661 -2.849 -1.101 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.251 -5.292 -0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.939 -3.679 -0.429 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.633 -5.110 -1.228 1.00 0.00 H new ATOM 1048 N ALA A 62 -3.464 -1.730 -4.769 1.00 0.00 N ATOM 1049 CA ALA A 62 -3.149 -0.436 -5.361 1.00 0.00 C ATOM 1050 C ALA A 62 -3.266 -0.479 -6.882 1.00 0.00 C ATOM 1051 O ALA A 62 -3.624 0.514 -7.512 1.00 0.00 O ATOM 1052 CB ALA A 62 -1.722 -0.030 -4.986 1.00 0.00 C ATOM 0 H ALA A 62 -2.816 -2.033 -4.042 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.864 0.291 -4.975 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.490 0.938 -5.431 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.636 0.039 -3.902 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.021 -0.777 -5.358 1.00 0.00 H new ATOM 1058 N GLU A 63 -2.934 -1.624 -7.468 1.00 0.00 N ATOM 1059 CA GLU A 63 -2.978 -1.766 -8.918 1.00 0.00 C ATOM 1060 C GLU A 63 -4.390 -2.054 -9.415 1.00 0.00 C ATOM 1061 O GLU A 63 -4.563 -2.704 -10.446 1.00 0.00 O ATOM 1062 CB GLU A 63 -2.051 -2.902 -9.346 1.00 0.00 C ATOM 1063 CG GLU A 63 -2.469 -4.187 -8.631 1.00 0.00 C ATOM 1064 CD GLU A 63 -1.571 -5.341 -9.062 1.00 0.00 C ATOM 1065 OE1 GLU A 63 -0.656 -5.098 -9.832 1.00 0.00 O ATOM 1066 OE2 GLU A 63 -1.813 -6.451 -8.619 1.00 0.00 O ATOM 0 H GLU A 63 -2.634 -2.460 -6.967 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.652 -0.823 -9.357 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.100 -3.040 -10.426 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.018 -2.656 -9.103 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.405 -4.049 -7.552 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.509 -4.419 -8.861 1.00 0.00 H new ATOM 1073 N SER A 64 -5.400 -1.574 -8.691 1.00 0.00 N ATOM 1074 CA SER A 64 -6.783 -1.806 -9.105 1.00 0.00 C ATOM 1075 C SER A 64 -7.419 -0.510 -9.601 1.00 0.00 C ATOM 1076 O SER A 64 -8.227 -0.524 -10.530 1.00 0.00 O ATOM 1077 CB SER A 64 -7.598 -2.381 -7.947 1.00 0.00 C ATOM 1078 OG SER A 64 -6.938 -3.532 -7.435 1.00 0.00 O ATOM 0 H SER A 64 -5.292 -1.033 -7.833 1.00 0.00 H new ATOM 0 HA SER A 64 -6.778 -2.527 -9.922 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.713 -1.634 -7.162 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.600 -2.643 -8.287 1.00 0.00 H new ATOM 0 HG SER A 64 -6.371 -3.274 -6.678 1.00 0.00 H new ATOM 1084 N LEU A 65 -7.044 0.611 -8.991 1.00 0.00 N ATOM 1085 CA LEU A 65 -7.583 1.901 -9.400 1.00 0.00 C ATOM 1086 C LEU A 65 -6.967 2.309 -10.733 1.00 0.00 C ATOM 1087 O LEU A 65 -7.600 2.193 -11.781 1.00 0.00 O ATOM 1088 CB LEU A 65 -7.276 2.955 -8.327 1.00 0.00 C ATOM 1089 CG LEU A 65 -8.014 4.267 -8.633 1.00 0.00 C ATOM 1090 CD1 LEU A 65 -9.527 4.029 -8.684 1.00 0.00 C ATOM 1091 CD2 LEU A 65 -7.698 5.283 -7.533 1.00 0.00 C ATOM 0 H LEU A 65 -6.377 0.651 -8.221 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.664 1.825 -9.517 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.575 2.583 -7.347 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.202 3.137 -8.284 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.685 4.645 -9.601 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.036 4.968 -8.902 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.755 3.303 -9.465 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.868 3.646 -7.722 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.218 6.218 -7.741 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.027 4.892 -6.571 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.624 5.464 -7.503 1.00 0.00 H new ATOM 1103 N TYR A 66 -5.723 2.778 -10.683 1.00 0.00 N ATOM 1104 CA TYR A 66 -5.017 3.193 -11.895 1.00 0.00 C ATOM 1105 C TYR A 66 -3.756 2.358 -12.089 1.00 0.00 C ATOM 1106 O TYR A 66 -2.820 2.434 -11.293 1.00 0.00 O ATOM 1107 CB TYR A 66 -4.640 4.676 -11.813 1.00 0.00 C ATOM 1108 CG TYR A 66 -3.803 4.920 -10.580 1.00 0.00 C ATOM 1109 CD1 TYR A 66 -2.407 4.924 -10.668 1.00 0.00 C ATOM 1110 CD2 TYR A 66 -4.428 5.144 -9.350 1.00 0.00 C ATOM 1111 CE1 TYR A 66 -1.635 5.153 -9.522 1.00 0.00 C ATOM 1112 CE2 TYR A 66 -3.657 5.373 -8.204 1.00 0.00 C ATOM 1113 CZ TYR A 66 -2.262 5.377 -8.290 1.00 0.00 C ATOM 1114 OH TYR A 66 -1.504 5.603 -7.160 1.00 0.00 O ATOM 0 H TYR A 66 -5.185 2.880 -9.823 1.00 0.00 H new ATOM 0 HA TYR A 66 -5.682 3.039 -12.745 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -4.086 4.970 -12.705 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -5.541 5.289 -11.780 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.925 4.751 -11.619 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -5.506 5.140 -9.284 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -0.557 5.157 -9.588 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -4.140 5.547 -7.254 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.096 5.741 -6.391 1.00 0.00 H new ATOM 1124 N GLU A 67 -3.740 1.558 -13.150 1.00 0.00 N ATOM 1125 CA GLU A 67 -2.590 0.710 -13.438 1.00 0.00 C ATOM 1126 C GLU A 67 -1.315 1.543 -13.508 1.00 0.00 C ATOM 1127 O GLU A 67 -1.364 2.753 -13.731 1.00 0.00 O ATOM 1128 CB GLU A 67 -2.797 -0.019 -14.766 1.00 0.00 C ATOM 1129 CG GLU A 67 -4.190 -0.653 -14.791 1.00 0.00 C ATOM 1130 CD GLU A 67 -4.281 -1.666 -15.926 1.00 0.00 C ATOM 1131 OE1 GLU A 67 -4.113 -1.268 -17.067 1.00 0.00 O ATOM 1132 OE2 GLU A 67 -4.518 -2.829 -15.638 1.00 0.00 O ATOM 0 H GLU A 67 -4.505 1.479 -13.820 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.491 -0.020 -12.635 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.689 0.679 -15.596 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.034 -0.787 -14.894 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.393 -1.142 -13.838 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.948 0.120 -14.920 1.00 0.00 H new ATOM 1139 N GLY A 68 -0.174 0.886 -13.313 1.00 0.00 N ATOM 1140 CA GLY A 68 1.115 1.572 -13.354 1.00 0.00 C ATOM 1141 C GLY A 68 1.861 1.403 -12.035 1.00 0.00 C ATOM 1142 O GLY A 68 3.041 1.736 -11.932 1.00 0.00 O ATOM 0 H GLY A 68 -0.115 -0.115 -13.126 1.00 0.00 H new ATOM 0 HA2 GLY A 68 1.717 1.175 -14.171 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.962 2.632 -13.557 1.00 0.00 H new ATOM 1146 N ILE A 69 1.164 0.888 -11.026 1.00 0.00 N ATOM 1147 CA ILE A 69 1.768 0.685 -9.718 1.00 0.00 C ATOM 1148 C ILE A 69 2.967 -0.254 -9.807 1.00 0.00 C ATOM 1149 O ILE A 69 2.829 -1.469 -9.660 1.00 0.00 O ATOM 1150 CB ILE A 69 0.733 0.098 -8.762 1.00 0.00 C ATOM 1151 CG1 ILE A 69 -0.572 0.893 -8.875 1.00 0.00 C ATOM 1152 CG2 ILE A 69 1.259 0.167 -7.325 1.00 0.00 C ATOM 1153 CD1 ILE A 69 -0.299 2.388 -8.684 1.00 0.00 C ATOM 0 H ILE A 69 0.186 0.606 -11.091 1.00 0.00 H new ATOM 0 HA ILE A 69 2.113 1.650 -9.347 1.00 0.00 H new ATOM 0 HB ILE A 69 0.547 -0.944 -9.023 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.028 0.721 -9.850 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.283 0.547 -8.125 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.517 -0.253 -6.646 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.185 -0.403 -7.249 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.450 1.206 -7.057 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.234 2.942 -8.767 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.136 2.555 -7.699 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.395 2.732 -9.451 1.00 0.00 H new ATOM 1165 N LYS A 70 4.144 0.320 -10.029 1.00 0.00 N ATOM 1166 CA LYS A 70 5.366 -0.470 -10.114 1.00 0.00 C ATOM 1167 C LYS A 70 5.676 -1.095 -8.760 1.00 0.00 C ATOM 1168 O LYS A 70 6.183 -2.214 -8.679 1.00 0.00 O ATOM 1169 CB LYS A 70 6.531 0.425 -10.540 1.00 0.00 C ATOM 1170 CG LYS A 70 6.367 0.824 -12.013 1.00 0.00 C ATOM 1171 CD LYS A 70 6.954 -0.265 -12.917 1.00 0.00 C ATOM 1172 CE LYS A 70 6.887 0.189 -14.375 1.00 0.00 C ATOM 1173 NZ LYS A 70 7.682 -0.744 -15.222 1.00 0.00 N ATOM 0 H LYS A 70 4.278 1.324 -10.153 1.00 0.00 H new ATOM 0 HA LYS A 70 5.226 -1.260 -10.851 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.565 1.316 -9.914 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.476 -0.100 -10.399 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.312 0.971 -12.244 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.869 1.773 -12.200 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.987 -0.468 -12.636 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.401 -1.195 -12.789 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.851 0.211 -14.713 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.275 1.203 -14.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.637 -0.436 -16.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.672 -0.744 -14.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.293 -1.705 -15.140 1.00 0.00 H new ATOM 1187 N SER A 71 5.359 -0.359 -7.699 1.00 0.00 N ATOM 1188 CA SER A 71 5.596 -0.836 -6.342 1.00 0.00 C ATOM 1189 C SER A 71 5.161 0.216 -5.323 1.00 0.00 C ATOM 1190 O SER A 71 4.639 1.268 -5.688 1.00 0.00 O ATOM 1191 CB SER A 71 7.080 -1.155 -6.149 1.00 0.00 C ATOM 1192 OG SER A 71 7.349 -1.306 -4.761 1.00 0.00 O ATOM 0 H SER A 71 4.938 0.569 -7.753 1.00 0.00 H new ATOM 0 HA SER A 71 5.010 -1.742 -6.187 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.340 -2.069 -6.684 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.693 -0.356 -6.566 1.00 0.00 H new ATOM 0 HG SER A 71 8.298 -1.512 -4.632 1.00 0.00 H new ATOM 1198 N VAL A 72 5.393 -0.077 -4.047 1.00 0.00 N ATOM 1199 CA VAL A 72 5.033 0.845 -2.969 1.00 0.00 C ATOM 1200 C VAL A 72 6.073 0.769 -1.855 1.00 0.00 C ATOM 1201 O VAL A 72 6.581 -0.307 -1.541 1.00 0.00 O ATOM 1202 CB VAL A 72 3.647 0.497 -2.414 1.00 0.00 C ATOM 1203 CG1 VAL A 72 3.116 1.666 -1.580 1.00 0.00 C ATOM 1204 CG2 VAL A 72 2.684 0.223 -3.574 1.00 0.00 C ATOM 0 H VAL A 72 5.828 -0.944 -3.732 1.00 0.00 H new ATOM 0 HA VAL A 72 5.007 1.860 -3.367 1.00 0.00 H new ATOM 0 HB VAL A 72 3.725 -0.391 -1.786 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.131 1.415 -1.187 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.798 1.861 -0.752 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.041 2.555 -2.206 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.699 -0.024 -3.178 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.610 1.110 -4.203 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.057 -0.612 -4.167 1.00 0.00 H new ATOM 1214 N ASN A 73 6.397 1.923 -1.270 1.00 0.00 N ATOM 1215 CA ASN A 73 7.395 1.965 -0.201 1.00 0.00 C ATOM 1216 C ASN A 73 7.230 3.203 0.683 1.00 0.00 C ATOM 1217 O ASN A 73 6.732 4.243 0.247 1.00 0.00 O ATOM 1218 CB ASN A 73 8.802 1.953 -0.813 1.00 0.00 C ATOM 1219 CG ASN A 73 9.754 1.135 0.057 1.00 0.00 C ATOM 1220 OD1 ASN A 73 9.767 1.321 1.349 1.00 0.00 O flip ATOM 1221 ND2 ASN A 73 10.504 0.304 -0.455 1.00 0.00 N flip ATOM 0 H ASN A 73 5.991 2.827 -1.513 1.00 0.00 H new ATOM 0 HA ASN A 73 7.250 1.086 0.427 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.765 1.532 -1.818 1.00 0.00 H new ATOM 0 HB3 ASN A 73 9.173 2.974 -0.909 1.00 0.00 H new ATOM 0 HD21 ASN A 73 10.492 0.160 -1.465 1.00 0.00 H new ATOM 0 HD22 ASN A 73 11.137 -0.241 0.130 1.00 0.00 H new ATOM 1228 N PHE A 74 7.667 3.066 1.936 1.00 0.00 N ATOM 1229 CA PHE A 74 7.592 4.149 2.914 1.00 0.00 C ATOM 1230 C PHE A 74 8.969 4.374 3.537 1.00 0.00 C ATOM 1231 O PHE A 74 9.732 3.425 3.723 1.00 0.00 O ATOM 1232 CB PHE A 74 6.585 3.794 4.015 1.00 0.00 C ATOM 1233 CG PHE A 74 5.460 2.962 3.439 1.00 0.00 C ATOM 1234 CD1 PHE A 74 5.707 1.657 2.990 1.00 0.00 C ATOM 1235 CD2 PHE A 74 4.168 3.495 3.356 1.00 0.00 C ATOM 1236 CE1 PHE A 74 4.663 0.891 2.458 1.00 0.00 C ATOM 1237 CE2 PHE A 74 3.125 2.728 2.824 1.00 0.00 C ATOM 1238 CZ PHE A 74 3.373 1.426 2.374 1.00 0.00 C ATOM 0 H PHE A 74 8.080 2.207 2.298 1.00 0.00 H new ATOM 0 HA PHE A 74 7.266 5.059 2.411 1.00 0.00 H new ATOM 0 HB2 PHE A 74 7.084 3.243 4.812 1.00 0.00 H new ATOM 0 HB3 PHE A 74 6.184 4.705 4.460 1.00 0.00 H new ATOM 0 HD1 PHE A 74 6.702 1.243 3.055 1.00 0.00 H new ATOM 0 HD2 PHE A 74 3.976 4.500 3.703 1.00 0.00 H new ATOM 0 HE1 PHE A 74 4.854 -0.114 2.112 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.129 3.141 2.761 1.00 0.00 H new ATOM 0 HZ PHE A 74 2.569 0.835 1.962 1.00 0.00 H new ATOM 1248 N VAL A 75 9.288 5.626 3.857 1.00 0.00 N ATOM 1249 CA VAL A 75 10.586 5.938 4.455 1.00 0.00 C ATOM 1250 C VAL A 75 10.473 7.111 5.426 1.00 0.00 C ATOM 1251 O VAL A 75 9.373 7.537 5.773 1.00 0.00 O ATOM 1252 CB VAL A 75 11.602 6.271 3.360 1.00 0.00 C ATOM 1253 CG1 VAL A 75 11.575 5.182 2.285 1.00 0.00 C ATOM 1254 CG2 VAL A 75 11.249 7.620 2.732 1.00 0.00 C ATOM 0 H VAL A 75 8.677 6.430 3.716 1.00 0.00 H new ATOM 0 HA VAL A 75 10.923 5.062 5.009 1.00 0.00 H new ATOM 0 HB VAL A 75 12.600 6.322 3.795 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.299 5.421 1.506 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.829 4.222 2.734 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.578 5.126 1.848 1.00 0.00 H new ATOM 0 HG21 VAL A 75 11.972 7.858 1.952 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.250 7.569 2.298 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.273 8.395 3.498 1.00 0.00 H new ATOM 1264 N ASN A 76 11.622 7.622 5.869 1.00 0.00 N ATOM 1265 CA ASN A 76 11.642 8.740 6.812 1.00 0.00 C ATOM 1266 C ASN A 76 11.678 10.081 6.078 1.00 0.00 C ATOM 1267 O ASN A 76 12.118 10.166 4.932 1.00 0.00 O ATOM 1268 CB ASN A 76 12.862 8.627 7.736 1.00 0.00 C ATOM 1269 CG ASN A 76 13.321 7.174 7.826 1.00 0.00 C ATOM 1270 OD1 ASN A 76 12.560 6.309 8.258 1.00 0.00 O ATOM 1271 ND2 ASN A 76 14.527 6.856 7.442 1.00 0.00 N ATOM 0 H ASN A 76 12.544 7.283 5.593 1.00 0.00 H new ATOM 0 HA ASN A 76 10.729 8.696 7.405 1.00 0.00 H new ATOM 0 HB2 ASN A 76 13.673 9.250 7.358 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.611 8.999 8.729 1.00 0.00 H new ATOM 0 HD21 ASN A 76 14.842 5.887 7.499 1.00 0.00 H new ATOM 0 HD22 ASN A 76 15.155 7.576 7.084 1.00 0.00 H new ATOM 1278 N GLU A 77 11.203 11.121 6.757 1.00 0.00 N ATOM 1279 CA GLU A 77 11.166 12.465 6.185 1.00 0.00 C ATOM 1280 C GLU A 77 12.435 12.782 5.401 1.00 0.00 C ATOM 1281 O GLU A 77 12.371 13.361 4.317 1.00 0.00 O ATOM 1282 CB GLU A 77 10.992 13.495 7.303 1.00 0.00 C ATOM 1283 CG GLU A 77 10.601 14.846 6.700 1.00 0.00 C ATOM 1284 CD GLU A 77 9.152 14.806 6.227 1.00 0.00 C ATOM 1285 OE1 GLU A 77 8.296 14.475 7.030 1.00 0.00 O ATOM 1286 OE2 GLU A 77 8.920 15.107 5.068 1.00 0.00 O ATOM 0 H GLU A 77 10.837 11.059 7.707 1.00 0.00 H new ATOM 0 HA GLU A 77 10.323 12.509 5.496 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.225 13.162 8.002 1.00 0.00 H new ATOM 0 HB3 GLU A 77 11.918 13.592 7.869 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.729 15.635 7.441 1.00 0.00 H new ATOM 0 HG3 GLU A 77 11.259 15.085 5.864 1.00 0.00 H new ATOM 1293 N GLN A 78 13.588 12.412 5.949 1.00 0.00 N ATOM 1294 CA GLN A 78 14.854 12.683 5.275 1.00 0.00 C ATOM 1295 C GLN A 78 15.009 11.799 4.042 1.00 0.00 C ATOM 1296 O GLN A 78 15.304 12.287 2.951 1.00 0.00 O ATOM 1297 CB GLN A 78 16.024 12.449 6.232 1.00 0.00 C ATOM 1298 CG GLN A 78 15.738 13.139 7.568 1.00 0.00 C ATOM 1299 CD GLN A 78 16.946 13.016 8.489 1.00 0.00 C ATOM 1300 OE1 GLN A 78 17.962 13.678 8.276 1.00 0.00 O ATOM 1301 NE2 GLN A 78 16.898 12.203 9.508 1.00 0.00 N ATOM 0 H GLN A 78 13.673 11.931 6.844 1.00 0.00 H new ATOM 0 HA GLN A 78 14.855 13.726 4.958 1.00 0.00 H new ATOM 0 HB2 GLN A 78 16.172 11.380 6.387 1.00 0.00 H new ATOM 0 HB3 GLN A 78 16.945 12.839 5.799 1.00 0.00 H new ATOM 0 HG2 GLN A 78 15.504 14.190 7.401 1.00 0.00 H new ATOM 0 HG3 GLN A 78 14.864 12.689 8.039 1.00 0.00 H new ATOM 0 HE21 GLN A 78 16.056 11.655 9.684 1.00 0.00 H new ATOM 0 HE22 GLN A 78 17.702 12.115 10.129 1.00 0.00 H new ATOM 1310 N ASP A 79 14.802 10.500 4.219 1.00 0.00 N ATOM 1311 CA ASP A 79 14.916 9.562 3.109 1.00 0.00 C ATOM 1312 C ASP A 79 13.983 9.974 1.974 1.00 0.00 C ATOM 1313 O ASP A 79 14.415 10.139 0.831 1.00 0.00 O ATOM 1314 CB ASP A 79 14.564 8.151 3.585 1.00 0.00 C ATOM 1315 CG ASP A 79 15.761 7.525 4.294 1.00 0.00 C ATOM 1316 OD1 ASP A 79 15.855 7.675 5.501 1.00 0.00 O ATOM 1317 OD2 ASP A 79 16.566 6.903 3.619 1.00 0.00 O ATOM 0 H ASP A 79 14.556 10.074 5.113 1.00 0.00 H new ATOM 0 HA ASP A 79 15.942 9.572 2.742 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.710 8.189 4.261 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.271 7.534 2.735 1.00 0.00 H new ATOM 1322 N PHE A 80 12.706 10.150 2.294 1.00 0.00 N ATOM 1323 CA PHE A 80 11.728 10.554 1.294 1.00 0.00 C ATOM 1324 C PHE A 80 12.182 11.845 0.619 1.00 0.00 C ATOM 1325 O PHE A 80 12.127 11.968 -0.602 1.00 0.00 O ATOM 1326 CB PHE A 80 10.362 10.756 1.971 1.00 0.00 C ATOM 1327 CG PHE A 80 9.612 11.899 1.326 1.00 0.00 C ATOM 1328 CD1 PHE A 80 9.801 13.208 1.788 1.00 0.00 C ATOM 1329 CD2 PHE A 80 8.724 11.651 0.271 1.00 0.00 C ATOM 1330 CE1 PHE A 80 9.103 14.267 1.195 1.00 0.00 C ATOM 1331 CE2 PHE A 80 8.028 12.710 -0.322 1.00 0.00 C ATOM 1332 CZ PHE A 80 8.218 14.018 0.140 1.00 0.00 C ATOM 0 H PHE A 80 12.327 10.020 3.232 1.00 0.00 H new ATOM 0 HA PHE A 80 11.638 9.777 0.534 1.00 0.00 H new ATOM 0 HB2 PHE A 80 9.775 9.841 1.897 1.00 0.00 H new ATOM 0 HB3 PHE A 80 10.503 10.959 3.033 1.00 0.00 H new ATOM 0 HD1 PHE A 80 10.485 13.400 2.601 1.00 0.00 H new ATOM 0 HD2 PHE A 80 8.577 10.642 -0.085 1.00 0.00 H new ATOM 0 HE1 PHE A 80 9.248 15.276 1.552 1.00 0.00 H new ATOM 0 HE2 PHE A 80 7.344 12.519 -1.136 1.00 0.00 H new ATOM 0 HZ PHE A 80 7.681 14.835 -0.318 1.00 0.00 H new ATOM 1342 N PHE A 81 12.650 12.795 1.424 1.00 0.00 N ATOM 1343 CA PHE A 81 13.126 14.066 0.893 1.00 0.00 C ATOM 1344 C PHE A 81 14.264 13.842 -0.091 1.00 0.00 C ATOM 1345 O PHE A 81 14.400 14.560 -1.080 1.00 0.00 O ATOM 1346 CB PHE A 81 13.625 14.962 2.025 1.00 0.00 C ATOM 1347 CG PHE A 81 13.912 16.330 1.457 1.00 0.00 C ATOM 1348 CD1 PHE A 81 15.186 16.627 0.961 1.00 0.00 C ATOM 1349 CD2 PHE A 81 12.899 17.294 1.410 1.00 0.00 C ATOM 1350 CE1 PHE A 81 15.447 17.890 0.417 1.00 0.00 C ATOM 1351 CE2 PHE A 81 13.159 18.556 0.868 1.00 0.00 C ATOM 1352 CZ PHE A 81 14.434 18.855 0.372 1.00 0.00 C ATOM 0 H PHE A 81 12.709 12.709 2.439 1.00 0.00 H new ATOM 0 HA PHE A 81 12.292 14.548 0.382 1.00 0.00 H new ATOM 0 HB2 PHE A 81 12.876 15.028 2.814 1.00 0.00 H new ATOM 0 HB3 PHE A 81 14.525 14.541 2.474 1.00 0.00 H new ATOM 0 HD1 PHE A 81 15.967 15.882 0.998 1.00 0.00 H new ATOM 0 HD2 PHE A 81 11.916 17.063 1.793 1.00 0.00 H new ATOM 0 HE1 PHE A 81 16.430 18.120 0.032 1.00 0.00 H new ATOM 0 HE2 PHE A 81 12.377 19.300 0.832 1.00 0.00 H new ATOM 0 HZ PHE A 81 14.636 19.830 -0.045 1.00 0.00 H new ATOM 1362 N PHE A 82 15.085 12.840 0.193 1.00 0.00 N ATOM 1363 CA PHE A 82 16.212 12.524 -0.669 1.00 0.00 C ATOM 1364 C PHE A 82 15.706 12.021 -2.017 1.00 0.00 C ATOM 1365 O PHE A 82 16.379 12.157 -3.039 1.00 0.00 O ATOM 1366 CB PHE A 82 17.089 11.458 0.005 1.00 0.00 C ATOM 1367 CG PHE A 82 18.546 11.715 -0.308 1.00 0.00 C ATOM 1368 CD1 PHE A 82 19.237 10.865 -1.179 1.00 0.00 C ATOM 1369 CD2 PHE A 82 19.203 12.806 0.274 1.00 0.00 C ATOM 1370 CE1 PHE A 82 20.586 11.105 -1.468 1.00 0.00 C ATOM 1371 CE2 PHE A 82 20.551 13.046 -0.014 1.00 0.00 C ATOM 1372 CZ PHE A 82 21.243 12.196 -0.884 1.00 0.00 C ATOM 0 H PHE A 82 14.991 12.236 1.009 1.00 0.00 H new ATOM 0 HA PHE A 82 16.809 13.421 -0.834 1.00 0.00 H new ATOM 0 HB2 PHE A 82 16.932 11.474 1.083 1.00 0.00 H new ATOM 0 HB3 PHE A 82 16.803 10.466 -0.344 1.00 0.00 H new ATOM 0 HD1 PHE A 82 18.730 10.024 -1.628 1.00 0.00 H new ATOM 0 HD2 PHE A 82 18.669 13.462 0.945 1.00 0.00 H new ATOM 0 HE1 PHE A 82 21.120 10.450 -2.141 1.00 0.00 H new ATOM 0 HE2 PHE A 82 21.058 13.887 0.435 1.00 0.00 H new ATOM 0 HZ PHE A 82 22.284 12.381 -1.105 1.00 0.00 H new ATOM 1382 N ASN A 83 14.515 11.432 -2.002 1.00 0.00 N ATOM 1383 CA ASN A 83 13.917 10.899 -3.221 1.00 0.00 C ATOM 1384 C ASN A 83 13.512 12.016 -4.184 1.00 0.00 C ATOM 1385 O ASN A 83 13.727 11.902 -5.391 1.00 0.00 O ATOM 1386 CB ASN A 83 12.688 10.055 -2.874 1.00 0.00 C ATOM 1387 CG ASN A 83 12.220 9.287 -4.107 1.00 0.00 C ATOM 1388 OD1 ASN A 83 12.603 8.133 -4.303 1.00 0.00 O ATOM 1389 ND2 ASN A 83 11.411 9.863 -4.954 1.00 0.00 N ATOM 0 H ASN A 83 13.947 11.312 -1.163 1.00 0.00 H new ATOM 0 HA ASN A 83 14.666 10.279 -3.714 1.00 0.00 H new ATOM 0 HB2 ASN A 83 12.929 9.359 -2.071 1.00 0.00 H new ATOM 0 HB3 ASN A 83 11.886 10.697 -2.509 1.00 0.00 H new ATOM 0 HD21 ASN A 83 11.094 9.357 -5.781 1.00 0.00 H new ATOM 0 HD22 ASN A 83 11.096 10.819 -4.789 1.00 0.00 H new ATOM 1396 N LEU A 84 12.913 13.088 -3.661 1.00 0.00 N ATOM 1397 CA LEU A 84 12.480 14.193 -4.520 1.00 0.00 C ATOM 1398 C LEU A 84 13.613 15.188 -4.764 1.00 0.00 C ATOM 1399 O LEU A 84 13.547 15.996 -5.692 1.00 0.00 O ATOM 1400 CB LEU A 84 11.284 14.936 -3.896 1.00 0.00 C ATOM 1401 CG LEU A 84 11.347 14.878 -2.364 1.00 0.00 C ATOM 1402 CD1 LEU A 84 10.757 16.163 -1.777 1.00 0.00 C ATOM 1403 CD2 LEU A 84 10.530 13.682 -1.871 1.00 0.00 C ATOM 0 H LEU A 84 12.719 13.215 -2.668 1.00 0.00 H new ATOM 0 HA LEU A 84 12.181 13.758 -5.474 1.00 0.00 H new ATOM 0 HB2 LEU A 84 11.283 15.975 -4.226 1.00 0.00 H new ATOM 0 HB3 LEU A 84 10.352 14.491 -4.243 1.00 0.00 H new ATOM 0 HG LEU A 84 12.385 14.775 -2.048 1.00 0.00 H new ATOM 0 HD11 LEU A 84 10.802 16.120 -0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 84 11.329 17.021 -2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 84 9.719 16.264 -2.093 1.00 0.00 H new ATOM 0 HD21 LEU A 84 10.572 13.637 -0.783 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.494 13.793 -2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.942 12.763 -2.289 1.00 0.00 H new ATOM 1415 N ALA A 85 14.640 15.142 -3.923 1.00 0.00 N ATOM 1416 CA ALA A 85 15.762 16.066 -4.061 1.00 0.00 C ATOM 1417 C ALA A 85 16.766 15.564 -5.096 1.00 0.00 C ATOM 1418 O ALA A 85 17.477 16.355 -5.716 1.00 0.00 O ATOM 1419 CB ALA A 85 16.462 16.250 -2.713 1.00 0.00 C ATOM 0 H ALA A 85 14.720 14.484 -3.148 1.00 0.00 H new ATOM 0 HA ALA A 85 15.367 17.024 -4.400 1.00 0.00 H new ATOM 0 HB1 ALA A 85 17.297 16.941 -2.828 1.00 0.00 H new ATOM 0 HB2 ALA A 85 15.755 16.653 -1.988 1.00 0.00 H new ATOM 0 HB3 ALA A 85 16.833 15.287 -2.362 1.00 0.00 H new ATOM 1425 N LYS A 86 16.821 14.248 -5.275 1.00 0.00 N ATOM 1426 CA LYS A 86 17.748 13.662 -6.238 1.00 0.00 C ATOM 1427 C LYS A 86 17.336 14.009 -7.664 1.00 0.00 C ATOM 1428 O LYS A 86 18.129 14.545 -8.437 1.00 0.00 O ATOM 1429 CB LYS A 86 17.787 12.142 -6.073 1.00 0.00 C ATOM 1430 CG LYS A 86 18.680 11.530 -7.161 1.00 0.00 C ATOM 1431 CD LYS A 86 19.185 10.151 -6.713 1.00 0.00 C ATOM 1432 CE LYS A 86 20.550 10.293 -6.031 1.00 0.00 C ATOM 1433 NZ LYS A 86 20.473 11.334 -4.967 1.00 0.00 N ATOM 0 H LYS A 86 16.243 13.574 -4.773 1.00 0.00 H new ATOM 0 HA LYS A 86 18.740 14.073 -6.049 1.00 0.00 H new ATOM 0 HB2 LYS A 86 18.169 11.883 -5.086 1.00 0.00 H new ATOM 0 HB3 LYS A 86 16.779 11.732 -6.142 1.00 0.00 H new ATOM 0 HG2 LYS A 86 18.121 11.437 -8.092 1.00 0.00 H new ATOM 0 HG3 LYS A 86 19.525 12.188 -7.362 1.00 0.00 H new ATOM 0 HD2 LYS A 86 18.471 9.698 -6.026 1.00 0.00 H new ATOM 0 HD3 LYS A 86 19.266 9.486 -7.573 1.00 0.00 H new ATOM 0 HE2 LYS A 86 20.853 9.339 -5.599 1.00 0.00 H new ATOM 0 HE3 LYS A 86 21.308 10.565 -6.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 21.391 11.405 -4.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 20.236 12.252 -5.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 19.738 11.073 -4.279 1.00 0.00 H new