USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 973 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 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 13 ASN : amide:sc= -4.34! C(o=-4.3!,f=-10!) USER MOD Single : A 15 ASN : amide:sc= -0.0155 X(o=-0.015,f=-0.082) USER MOD Single : A 16 ASN :FLIP amide:sc= -3.01 F(o=-3.6,f=-3) USER MOD Single : A 21 THR OG1 : rot 102:sc= 0.976 USER MOD Single : A 31 ASN : amide:sc= -2.22 K(o=-2.2,f=-2.8!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00332 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.357 X(o=-0.36,f=-0.75) USER MOD Single : A 61 THR OG1 : rot 54:sc= 0.0384 USER MOD Single : A 63 GLN : amide:sc= -1.56 K(o=-1.6,f=-2.4!) USER MOD Single : A 64 HIS : no HE2:sc= -18! C(o=-18!,f=-24!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 155:sc= -0.014 (180deg=-0.426) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -1.71 X(o=-1.7,f=-1.9) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.463 X(o=-0.46,f=0) USER MOD Single : A 105 MET CE :methyl -166:sc= -0.0021 (180deg=-0.204) USER MOD Single : A 106 SER OG : rot 35:sc= 0.66 USER MOD Single : A 111 ASN : amide:sc= -0.313 K(o=-0.31,f=-2.3!) USER MOD Single : A 119 ASN : amide:sc= -1.53 K(o=-1.5,f=-5.9!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ -154:sc= -0.0195 (180deg=-0.799) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -21.845 -5.581 -3.757 1.00 0.00 N ATOM 21 CA LYS A 2 -20.692 -5.081 -4.498 1.00 0.00 C ATOM 22 C LYS A 2 -19.389 -5.461 -3.800 1.00 0.00 C ATOM 23 O LYS A 2 -19.329 -5.540 -2.573 1.00 0.00 O ATOM 24 CB LYS A 2 -20.778 -3.561 -4.655 1.00 0.00 C ATOM 25 CG LYS A 2 -21.069 -2.829 -3.355 1.00 0.00 C ATOM 26 CD LYS A 2 -21.165 -1.328 -3.572 1.00 0.00 C ATOM 27 CE LYS A 2 -21.745 -0.626 -2.355 1.00 0.00 C ATOM 28 NZ LYS A 2 -22.650 0.493 -2.739 1.00 0.00 N ATOM 0 HA LYS A 2 -20.700 -5.541 -5.486 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -19.838 -3.193 -5.066 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -21.558 -3.323 -5.378 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -22.003 -3.197 -2.930 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -20.283 -3.044 -2.631 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -20.175 -0.926 -3.788 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -21.788 -1.124 -4.443 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -22.295 -1.346 -1.748 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -20.934 -0.241 -1.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -23.025 0.946 -1.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -22.120 1.193 -3.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -23.438 0.123 -3.308 1.00 0.00 H new ATOM 42 N LYS A 3 -18.349 -5.696 -4.593 1.00 0.00 N ATOM 43 CA LYS A 3 -17.044 -6.067 -4.057 1.00 0.00 C ATOM 44 C LYS A 3 -15.941 -5.238 -4.704 1.00 0.00 C ATOM 45 O LYS A 3 -16.052 -4.834 -5.862 1.00 0.00 O ATOM 46 CB LYS A 3 -16.780 -7.556 -4.287 1.00 0.00 C ATOM 47 CG LYS A 3 -17.978 -8.442 -3.985 1.00 0.00 C ATOM 48 CD LYS A 3 -17.624 -9.915 -4.098 1.00 0.00 C ATOM 49 CE LYS A 3 -17.810 -10.426 -5.518 1.00 0.00 C ATOM 50 NZ LYS A 3 -16.754 -11.405 -5.899 1.00 0.00 N ATOM 0 H LYS A 3 -18.384 -5.636 -5.611 1.00 0.00 H new ATOM 0 HA LYS A 3 -17.046 -5.868 -2.985 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -16.480 -7.707 -5.324 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -15.942 -7.868 -3.664 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -18.344 -8.231 -2.980 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -18.788 -8.208 -4.675 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -16.590 -10.066 -3.788 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -18.249 -10.494 -3.417 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -18.790 -10.895 -5.610 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -17.793 -9.585 -6.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -16.917 -11.729 -6.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -15.821 -10.951 -5.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -16.787 -12.220 -5.253 1.00 0.00 H new ATOM 64 N LEU A 4 -14.876 -4.980 -3.950 1.00 0.00 N ATOM 65 CA LEU A 4 -13.758 -4.193 -4.456 1.00 0.00 C ATOM 66 C LEU A 4 -12.431 -4.679 -3.877 1.00 0.00 C ATOM 67 O LEU A 4 -12.308 -4.889 -2.671 1.00 0.00 O ATOM 68 CB LEU A 4 -13.965 -2.715 -4.125 1.00 0.00 C ATOM 69 CG LEU A 4 -13.967 -2.379 -2.632 1.00 0.00 C ATOM 70 CD1 LEU A 4 -12.544 -2.223 -2.116 1.00 0.00 C ATOM 71 CD2 LEU A 4 -14.775 -1.116 -2.374 1.00 0.00 C ATOM 0 H LEU A 4 -14.765 -5.304 -2.989 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.720 -4.318 -5.538 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.180 -2.136 -4.611 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.912 -2.391 -4.556 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.435 -3.203 -2.093 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.567 -1.984 -1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.998 -3.154 -2.267 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.047 -1.419 -2.658 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.767 -0.890 -1.308 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.335 -0.284 -2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -15.802 -1.267 -2.705 1.00 0.00 H new ATOM 83 N GLN A 5 -11.444 -4.858 -4.750 1.00 0.00 N ATOM 84 CA GLN A 5 -10.127 -5.322 -4.332 1.00 0.00 C ATOM 85 C GLN A 5 -9.118 -4.184 -4.281 1.00 0.00 C ATOM 86 O GLN A 5 -9.244 -3.184 -4.988 1.00 0.00 O ATOM 87 CB GLN A 5 -9.618 -6.402 -5.277 1.00 0.00 C ATOM 88 CG GLN A 5 -10.596 -7.544 -5.444 1.00 0.00 C ATOM 89 CD GLN A 5 -9.944 -8.805 -5.977 1.00 0.00 C ATOM 90 OE1 GLN A 5 -9.171 -8.760 -6.936 1.00 0.00 O ATOM 91 NE2 GLN A 5 -10.253 -9.938 -5.359 1.00 0.00 N ATOM 0 H GLN A 5 -11.532 -4.688 -5.752 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.235 -5.732 -3.328 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.414 -5.959 -6.252 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.672 -6.792 -4.900 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.062 -7.760 -4.483 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.392 -7.238 -6.123 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.898 -9.928 -4.569 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -9.846 -10.818 -5.674 1.00 0.00 H new ATOM 100 N ILE A 6 -8.112 -4.358 -3.436 1.00 0.00 N ATOM 101 CA ILE A 6 -7.057 -3.375 -3.264 1.00 0.00 C ATOM 102 C ILE A 6 -5.735 -4.073 -2.961 1.00 0.00 C ATOM 103 O ILE A 6 -5.665 -4.926 -2.078 1.00 0.00 O ATOM 104 CB ILE A 6 -7.398 -2.392 -2.125 1.00 0.00 C ATOM 105 CG1 ILE A 6 -8.598 -1.525 -2.515 1.00 0.00 C ATOM 106 CG2 ILE A 6 -6.198 -1.520 -1.780 1.00 0.00 C ATOM 107 CD1 ILE A 6 -8.248 -0.390 -3.454 1.00 0.00 C ATOM 0 H ILE A 6 -8.006 -5.186 -2.851 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.965 -2.811 -4.192 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.658 -2.972 -1.239 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -9.353 -2.155 -2.986 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -9.046 -1.112 -1.611 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.465 -0.836 -0.974 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.369 -2.152 -1.460 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.900 -0.947 -2.658 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -9.147 0.181 -3.686 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.516 0.263 -2.978 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -7.828 -0.796 -4.374 1.00 0.00 H new ATOM 119 N ALA A 7 -4.686 -3.707 -3.687 1.00 0.00 N ATOM 120 CA ALA A 7 -3.375 -4.303 -3.467 1.00 0.00 C ATOM 121 C ALA A 7 -2.353 -3.218 -3.203 1.00 0.00 C ATOM 122 O ALA A 7 -2.192 -2.318 -4.012 1.00 0.00 O ATOM 123 CB ALA A 7 -2.963 -5.134 -4.673 1.00 0.00 C ATOM 0 H ALA A 7 -4.717 -3.006 -4.427 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.427 -4.958 -2.597 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.981 -5.573 -4.494 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.692 -5.928 -4.834 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.920 -4.497 -5.556 1.00 0.00 H new ATOM 129 N VAL A 8 -1.658 -3.302 -2.077 1.00 0.00 N ATOM 130 CA VAL A 8 -0.661 -2.294 -1.734 1.00 0.00 C ATOM 131 C VAL A 8 0.723 -2.906 -1.581 1.00 0.00 C ATOM 132 O VAL A 8 0.867 -4.116 -1.418 1.00 0.00 O ATOM 133 CB VAL A 8 -1.050 -1.514 -0.447 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.434 -1.917 0.042 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.019 -1.703 0.662 1.00 0.00 C ATOM 0 H VAL A 8 -1.763 -4.049 -1.391 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.633 -1.587 -2.563 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.070 -0.456 -0.708 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.679 -1.355 0.943 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.171 -1.701 -0.732 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.445 -2.984 0.265 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.327 -1.142 1.544 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.056 -2.761 0.912 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.951 -1.341 0.322 1.00 0.00 H new ATOM 145 N GLY A 9 1.740 -2.053 -1.635 1.00 0.00 N ATOM 146 CA GLY A 9 3.101 -2.518 -1.502 1.00 0.00 C ATOM 147 C GLY A 9 4.001 -1.512 -0.812 1.00 0.00 C ATOM 148 O GLY A 9 4.344 -0.477 -1.383 1.00 0.00 O ATOM 0 H GLY A 9 1.642 -1.047 -1.769 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.108 -3.451 -0.939 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.503 -2.740 -2.491 1.00 0.00 H new ATOM 152 N ILE A 10 4.399 -1.831 0.412 1.00 0.00 N ATOM 153 CA ILE A 10 5.287 -0.968 1.185 1.00 0.00 C ATOM 154 C ILE A 10 6.679 -1.008 0.560 1.00 0.00 C ATOM 155 O ILE A 10 7.427 -1.961 0.771 1.00 0.00 O ATOM 156 CB ILE A 10 5.347 -1.437 2.661 1.00 0.00 C ATOM 157 CG1 ILE A 10 6.404 -0.668 3.460 1.00 0.00 C ATOM 158 CG2 ILE A 10 5.615 -2.932 2.732 1.00 0.00 C ATOM 159 CD1 ILE A 10 5.854 0.545 4.177 1.00 0.00 C ATOM 0 H ILE A 10 4.120 -2.685 0.895 1.00 0.00 H new ATOM 0 HA ILE A 10 4.907 0.053 1.170 1.00 0.00 H new ATOM 0 HB ILE A 10 4.377 -1.228 3.111 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.855 -1.339 4.191 1.00 0.00 H new ATOM 0 HG13 ILE A 10 7.199 -0.352 2.785 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.654 -3.245 3.775 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.816 -3.470 2.221 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.567 -3.154 2.250 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.657 1.041 4.722 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.429 1.236 3.449 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.079 0.233 4.877 1.00 0.00 H new ATOM 171 N ILE A 11 7.007 0.010 -0.238 1.00 0.00 N ATOM 172 CA ILE A 11 8.289 0.056 -0.925 1.00 0.00 C ATOM 173 C ILE A 11 9.450 0.319 0.023 1.00 0.00 C ATOM 174 O ILE A 11 9.510 1.349 0.686 1.00 0.00 O ATOM 175 CB ILE A 11 8.307 1.115 -2.045 1.00 0.00 C ATOM 176 CG1 ILE A 11 7.298 2.232 -1.786 1.00 0.00 C ATOM 177 CG2 ILE A 11 8.046 0.465 -3.396 1.00 0.00 C ATOM 178 CD1 ILE A 11 7.705 3.542 -2.411 1.00 0.00 C ATOM 0 H ILE A 11 6.401 0.810 -0.421 1.00 0.00 H new ATOM 0 HA ILE A 11 8.416 -0.933 -1.365 1.00 0.00 H new ATOM 0 HB ILE A 11 9.300 1.565 -2.055 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.325 1.935 -2.177 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.181 2.368 -0.711 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.062 1.227 -4.175 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.818 -0.277 -3.598 1.00 0.00 H new ATOM 0 HG23 ILE A 11 7.070 -0.021 -3.384 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.951 4.298 -2.194 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.664 3.858 -2.001 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.795 3.418 -3.490 1.00 0.00 H new ATOM 190 N ARG A 12 10.378 -0.630 0.063 1.00 0.00 N ATOM 191 CA ARG A 12 11.553 -0.525 0.918 1.00 0.00 C ATOM 192 C ARG A 12 12.634 0.318 0.260 1.00 0.00 C ATOM 193 O ARG A 12 13.068 0.032 -0.862 1.00 0.00 O ATOM 194 CB ARG A 12 12.107 -1.912 1.242 1.00 0.00 C ATOM 195 CG ARG A 12 11.717 -2.413 2.624 1.00 0.00 C ATOM 196 CD ARG A 12 12.889 -2.356 3.591 1.00 0.00 C ATOM 197 NE ARG A 12 12.833 -3.427 4.582 1.00 0.00 N ATOM 198 CZ ARG A 12 13.880 -3.829 5.299 1.00 0.00 C ATOM 199 NH1 ARG A 12 15.064 -3.254 5.138 1.00 0.00 N ATOM 200 NH2 ARG A 12 13.741 -4.811 6.179 1.00 0.00 N ATOM 0 H ARG A 12 10.338 -1.486 -0.491 1.00 0.00 H new ATOM 0 HA ARG A 12 11.247 -0.038 1.844 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.752 -2.620 0.494 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.194 -1.887 1.167 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.895 -1.811 3.011 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.354 -3.438 2.551 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.823 -2.427 3.033 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.893 -1.392 4.099 1.00 0.00 H new ATOM 0 HE ARG A 12 11.939 -3.894 4.734 1.00 0.00 H new ATOM 0 HH11 ARG A 12 15.176 -2.499 4.462 1.00 0.00 H new ATOM 0 HH12 ARG A 12 15.862 -3.567 5.691 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.833 -5.257 6.306 1.00 0.00 H new ATOM 0 HH22 ARG A 12 14.542 -5.120 6.729 1.00 0.00 H new ATOM 214 N ASN A 13 13.050 1.358 0.977 1.00 0.00 N ATOM 215 CA ASN A 13 14.076 2.286 0.508 1.00 0.00 C ATOM 216 C ASN A 13 15.451 1.634 0.461 1.00 0.00 C ATOM 217 O ASN A 13 15.630 0.474 0.829 1.00 0.00 O ATOM 218 CB ASN A 13 14.105 3.517 1.415 1.00 0.00 C ATOM 219 CG ASN A 13 15.239 4.489 1.139 1.00 0.00 C ATOM 220 OD1 ASN A 13 16.347 4.331 1.651 1.00 0.00 O ATOM 221 ND2 ASN A 13 14.962 5.510 0.336 1.00 0.00 N ATOM 0 H ASN A 13 12.684 1.582 1.902 1.00 0.00 H new ATOM 0 HA ASN A 13 13.823 2.584 -0.509 1.00 0.00 H new ATOM 0 HB2 ASN A 13 13.158 4.048 1.313 1.00 0.00 H new ATOM 0 HB3 ASN A 13 14.174 3.185 2.451 1.00 0.00 H new ATOM 0 HD21 ASN A 13 15.681 6.201 0.123 1.00 0.00 H new ATOM 0 HD22 ASN A 13 14.030 5.603 -0.067 1.00 0.00 H new ATOM 228 N GLU A 14 16.407 2.416 -0.004 1.00 0.00 N ATOM 229 CA GLU A 14 17.793 1.986 -0.133 1.00 0.00 C ATOM 230 C GLU A 14 18.357 1.452 1.180 1.00 0.00 C ATOM 231 O GLU A 14 19.354 0.729 1.186 1.00 0.00 O ATOM 232 CB GLU A 14 18.635 3.164 -0.631 1.00 0.00 C ATOM 233 CG GLU A 14 20.136 2.963 -0.490 1.00 0.00 C ATOM 234 CD GLU A 14 20.674 3.496 0.824 1.00 0.00 C ATOM 235 OE1 GLU A 14 20.859 4.726 0.935 1.00 0.00 O ATOM 236 OE2 GLU A 14 20.912 2.683 1.742 1.00 0.00 O ATOM 0 H GLU A 14 16.245 3.377 -0.306 1.00 0.00 H new ATOM 0 HA GLU A 14 17.829 1.166 -0.850 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.401 3.345 -1.680 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.347 4.060 -0.081 1.00 0.00 H new ATOM 0 HG2 GLU A 14 20.366 1.900 -0.568 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.645 3.461 -1.316 1.00 0.00 H new ATOM 243 N ASN A 15 17.729 1.812 2.288 1.00 0.00 N ATOM 244 CA ASN A 15 18.187 1.369 3.600 1.00 0.00 C ATOM 245 C ASN A 15 17.114 0.553 4.319 1.00 0.00 C ATOM 246 O ASN A 15 17.141 -0.678 4.297 1.00 0.00 O ATOM 247 CB ASN A 15 18.602 2.574 4.450 1.00 0.00 C ATOM 248 CG ASN A 15 19.040 2.179 5.848 1.00 0.00 C ATOM 249 OD1 ASN A 15 19.797 1.225 6.028 1.00 0.00 O ATOM 250 ND2 ASN A 15 18.562 2.913 6.847 1.00 0.00 N ATOM 0 H ASN A 15 16.902 2.409 2.308 1.00 0.00 H new ATOM 0 HA ASN A 15 19.053 0.723 3.454 1.00 0.00 H new ATOM 0 HB2 ASN A 15 19.417 3.101 3.953 1.00 0.00 H new ATOM 0 HB3 ASN A 15 17.767 3.271 4.518 1.00 0.00 H new ATOM 0 HD21 ASN A 15 18.820 2.694 7.809 1.00 0.00 H new ATOM 0 HD22 ASN A 15 17.937 3.695 6.652 1.00 0.00 H new ATOM 257 N ASN A 16 16.174 1.241 4.959 1.00 0.00 N ATOM 258 CA ASN A 16 15.103 0.568 5.689 1.00 0.00 C ATOM 259 C ASN A 16 13.867 1.457 5.835 1.00 0.00 C ATOM 260 O ASN A 16 12.970 1.156 6.622 1.00 0.00 O ATOM 261 CB ASN A 16 15.597 0.131 7.066 1.00 0.00 C ATOM 262 CG ASN A 16 15.566 -1.374 7.243 1.00 0.00 C ATOM 263 OD1 ASN A 16 14.375 -1.921 7.450 1.00 0.00 O flip ATOM 264 ND2 ASN A 16 16.602 -2.038 7.192 1.00 0.00 N flip ATOM 0 H ASN A 16 16.131 2.260 4.988 1.00 0.00 H new ATOM 0 HA ASN A 16 14.814 -0.310 5.111 1.00 0.00 H new ATOM 0 HB2 ASN A 16 16.615 0.490 7.214 1.00 0.00 H new ATOM 0 HB3 ASN A 16 14.980 0.597 7.834 1.00 0.00 H new ATOM 0 HD21 ASN A 16 17.497 -1.576 7.031 1.00 0.00 H new ATOM 0 HD22 ASN A 16 16.565 -3.050 7.311 1.00 0.00 H new ATOM 271 N GLU A 17 13.815 2.542 5.067 1.00 0.00 N ATOM 272 CA GLU A 17 12.678 3.451 5.110 1.00 0.00 C ATOM 273 C GLU A 17 11.762 3.180 3.927 1.00 0.00 C ATOM 274 O GLU A 17 12.177 2.570 2.951 1.00 0.00 O ATOM 275 CB GLU A 17 13.150 4.907 5.095 1.00 0.00 C ATOM 276 CG GLU A 17 13.954 5.276 3.860 1.00 0.00 C ATOM 277 CD GLU A 17 14.548 6.668 3.946 1.00 0.00 C ATOM 278 OE1 GLU A 17 13.896 7.557 4.533 1.00 0.00 O ATOM 279 OE2 GLU A 17 15.666 6.870 3.426 1.00 0.00 O ATOM 0 H GLU A 17 14.547 2.811 4.409 1.00 0.00 H new ATOM 0 HA GLU A 17 12.127 3.283 6.035 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.281 5.562 5.161 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.757 5.092 5.981 1.00 0.00 H new ATOM 0 HG2 GLU A 17 14.756 4.551 3.723 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.313 5.212 2.981 1.00 0.00 H new ATOM 286 N ILE A 18 10.514 3.609 4.013 1.00 0.00 N ATOM 287 CA ILE A 18 9.570 3.376 2.929 1.00 0.00 C ATOM 288 C ILE A 18 8.703 4.599 2.658 1.00 0.00 C ATOM 289 O ILE A 18 8.257 5.276 3.585 1.00 0.00 O ATOM 290 CB ILE A 18 8.658 2.171 3.241 1.00 0.00 C ATOM 291 CG1 ILE A 18 9.481 0.882 3.331 1.00 0.00 C ATOM 292 CG2 ILE A 18 7.553 2.038 2.193 1.00 0.00 C ATOM 293 CD1 ILE A 18 9.292 0.138 4.634 1.00 0.00 C ATOM 0 H ILE A 18 10.132 4.115 4.812 1.00 0.00 H new ATOM 0 HA ILE A 18 10.163 3.165 2.039 1.00 0.00 H new ATOM 0 HB ILE A 18 8.185 2.343 4.208 1.00 0.00 H new ATOM 0 HG12 ILE A 18 9.207 0.227 2.504 1.00 0.00 H new ATOM 0 HG13 ILE A 18 10.537 1.125 3.210 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.923 1.182 2.435 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.947 2.944 2.187 1.00 0.00 H new ATOM 0 HG23 ILE A 18 8.000 1.894 1.209 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.904 -0.764 4.630 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.593 0.777 5.465 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.243 -0.135 4.748 1.00 0.00 H new ATOM 305 N PHE A 19 8.446 4.856 1.380 1.00 0.00 N ATOM 306 CA PHE A 19 7.605 5.972 0.985 1.00 0.00 C ATOM 307 C PHE A 19 6.144 5.532 1.003 1.00 0.00 C ATOM 308 O PHE A 19 5.724 4.689 0.208 1.00 0.00 O ATOM 309 CB PHE A 19 8.032 6.502 -0.402 1.00 0.00 C ATOM 310 CG PHE A 19 6.903 6.826 -1.354 1.00 0.00 C ATOM 311 CD1 PHE A 19 5.782 7.522 -0.929 1.00 0.00 C ATOM 312 CD2 PHE A 19 6.975 6.436 -2.683 1.00 0.00 C ATOM 313 CE1 PHE A 19 4.755 7.817 -1.807 1.00 0.00 C ATOM 314 CE2 PHE A 19 5.952 6.730 -3.565 1.00 0.00 C ATOM 315 CZ PHE A 19 4.842 7.420 -3.127 1.00 0.00 C ATOM 0 H PHE A 19 8.810 4.305 0.603 1.00 0.00 H new ATOM 0 HA PHE A 19 7.722 6.794 1.692 1.00 0.00 H new ATOM 0 HB2 PHE A 19 8.632 7.401 -0.259 1.00 0.00 H new ATOM 0 HB3 PHE A 19 8.678 5.760 -0.872 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.710 7.838 0.101 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.842 5.895 -3.033 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.886 8.357 -1.461 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.022 6.419 -4.597 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.042 7.650 -3.815 1.00 0.00 H new ATOM 325 N ILE A 20 5.384 6.109 1.927 1.00 0.00 N ATOM 326 CA ILE A 20 3.968 5.790 2.069 1.00 0.00 C ATOM 327 C ILE A 20 3.117 6.988 1.668 1.00 0.00 C ATOM 328 O ILE A 20 3.219 8.058 2.270 1.00 0.00 O ATOM 329 CB ILE A 20 3.599 5.385 3.521 1.00 0.00 C ATOM 330 CG1 ILE A 20 4.850 5.263 4.402 1.00 0.00 C ATOM 331 CG2 ILE A 20 2.815 4.081 3.529 1.00 0.00 C ATOM 332 CD1 ILE A 20 5.721 4.075 4.060 1.00 0.00 C ATOM 0 H ILE A 20 5.726 6.803 2.591 1.00 0.00 H new ATOM 0 HA ILE A 20 3.769 4.942 1.414 1.00 0.00 H new ATOM 0 HB ILE A 20 2.972 6.173 3.937 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.440 6.174 4.307 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.543 5.189 5.445 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.565 3.813 4.556 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.898 4.204 2.953 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.419 3.290 3.084 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.585 4.054 4.724 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.148 3.156 4.182 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.059 4.157 3.027 1.00 0.00 H new ATOM 344 N THR A 21 2.279 6.813 0.656 1.00 0.00 N ATOM 345 CA THR A 21 1.419 7.896 0.195 1.00 0.00 C ATOM 346 C THR A 21 0.264 8.115 1.164 1.00 0.00 C ATOM 347 O THR A 21 -0.621 7.269 1.296 1.00 0.00 O ATOM 348 CB THR A 21 0.884 7.611 -1.211 1.00 0.00 C ATOM 349 OG1 THR A 21 -0.232 8.436 -1.499 1.00 0.00 O ATOM 350 CG2 THR A 21 0.452 6.175 -1.419 1.00 0.00 C ATOM 0 H THR A 21 2.176 5.939 0.141 1.00 0.00 H new ATOM 0 HA THR A 21 2.018 8.806 0.156 1.00 0.00 H new ATOM 0 HB THR A 21 1.720 7.819 -1.879 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.048 9.174 -2.080 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.085 6.049 -2.438 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.302 5.512 -1.255 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.342 5.928 -0.714 1.00 0.00 H new ATOM 358 N ARG A 22 0.286 9.255 1.843 1.00 0.00 N ATOM 359 CA ARG A 22 -0.752 9.593 2.806 1.00 0.00 C ATOM 360 C ARG A 22 -1.830 10.451 2.158 1.00 0.00 C ATOM 361 O ARG A 22 -1.686 10.887 1.016 1.00 0.00 O ATOM 362 CB ARG A 22 -0.142 10.330 4.001 1.00 0.00 C ATOM 363 CG ARG A 22 0.365 11.725 3.666 1.00 0.00 C ATOM 364 CD ARG A 22 1.803 11.921 4.119 1.00 0.00 C ATOM 365 NE ARG A 22 2.294 13.264 3.818 1.00 0.00 N ATOM 366 CZ ARG A 22 3.456 13.745 4.256 1.00 0.00 C ATOM 367 NH1 ARG A 22 4.249 12.996 5.013 1.00 0.00 N ATOM 368 NH2 ARG A 22 3.827 14.977 3.935 1.00 0.00 N ATOM 0 H ARG A 22 1.014 9.962 1.743 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.211 8.668 3.155 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.890 10.405 4.791 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.683 9.739 4.398 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.296 11.889 2.591 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.272 12.469 4.144 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.873 11.742 5.192 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.441 11.184 3.631 1.00 0.00 H new ATOM 0 HE ARG A 22 1.712 13.869 3.238 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.969 12.047 5.262 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.138 13.369 5.346 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.222 15.556 3.353 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.717 15.345 4.271 1.00 0.00 H new ATOM 493 N ASN A 31 -5.054 11.568 8.821 1.00 0.00 N ATOM 494 CA ASN A 31 -4.971 10.387 9.673 1.00 0.00 C ATOM 495 C ASN A 31 -5.279 9.104 8.896 1.00 0.00 C ATOM 496 O ASN A 31 -5.548 8.062 9.491 1.00 0.00 O ATOM 497 CB ASN A 31 -5.940 10.526 10.851 1.00 0.00 C ATOM 498 CG ASN A 31 -5.222 10.750 12.167 1.00 0.00 C ATOM 499 OD1 ASN A 31 -5.599 10.189 13.197 1.00 0.00 O ATOM 500 ND2 ASN A 31 -4.180 11.572 12.142 1.00 0.00 N ATOM 0 HA ASN A 31 -3.948 10.315 10.043 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.618 11.359 10.664 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.552 9.627 10.923 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -3.658 11.760 12.998 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -3.901 12.016 11.267 1.00 0.00 H new ATOM 507 N LYS A 32 -5.236 9.182 7.567 1.00 0.00 N ATOM 508 CA LYS A 32 -5.509 8.019 6.727 1.00 0.00 C ATOM 509 C LYS A 32 -4.270 7.590 5.954 1.00 0.00 C ATOM 510 O LYS A 32 -4.365 6.984 4.886 1.00 0.00 O ATOM 511 CB LYS A 32 -6.661 8.306 5.764 1.00 0.00 C ATOM 512 CG LYS A 32 -7.828 7.342 5.908 1.00 0.00 C ATOM 513 CD LYS A 32 -9.144 7.994 5.513 1.00 0.00 C ATOM 514 CE LYS A 32 -9.966 8.375 6.734 1.00 0.00 C ATOM 515 NZ LYS A 32 -11.427 8.263 6.477 1.00 0.00 N ATOM 0 H LYS A 32 -5.016 10.034 7.052 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.798 7.199 7.384 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.018 9.323 5.930 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.288 8.262 4.741 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.655 6.464 5.285 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.889 6.994 6.939 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.945 8.883 4.915 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.717 7.310 4.887 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.694 7.731 7.570 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.727 9.397 7.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.952 8.531 7.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.692 8.897 5.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.660 7.282 6.221 1.00 0.00 H new ATOM 529 N LEU A 33 -3.110 7.906 6.507 1.00 0.00 N ATOM 530 CA LEU A 33 -1.835 7.557 5.890 1.00 0.00 C ATOM 531 C LEU A 33 -1.831 6.093 5.448 1.00 0.00 C ATOM 532 O LEU A 33 -2.045 5.194 6.261 1.00 0.00 O ATOM 533 CB LEU A 33 -0.702 7.808 6.888 1.00 0.00 C ATOM 534 CG LEU A 33 0.696 8.026 6.293 1.00 0.00 C ATOM 535 CD1 LEU A 33 1.762 7.535 7.259 1.00 0.00 C ATOM 536 CD2 LEU A 33 0.842 7.328 4.946 1.00 0.00 C ATOM 0 H LEU A 33 -3.023 8.408 7.390 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.688 8.179 5.007 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.960 8.683 7.484 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.654 6.960 7.571 1.00 0.00 H new ATOM 0 HG LEU A 33 0.828 9.096 6.131 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.749 7.696 6.824 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.685 8.085 8.197 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.618 6.471 7.450 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.843 7.502 4.552 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.683 6.257 5.072 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.104 7.725 4.249 1.00 0.00 H new ATOM 548 N GLU A 34 -1.599 5.856 4.159 1.00 0.00 N ATOM 549 CA GLU A 34 -1.587 4.493 3.632 1.00 0.00 C ATOM 550 C GLU A 34 -0.449 4.284 2.637 1.00 0.00 C ATOM 551 O GLU A 34 0.464 5.103 2.537 1.00 0.00 O ATOM 552 CB GLU A 34 -2.929 4.170 2.973 1.00 0.00 C ATOM 553 CG GLU A 34 -3.527 2.849 3.426 1.00 0.00 C ATOM 554 CD GLU A 34 -4.979 2.697 3.018 1.00 0.00 C ATOM 555 OE1 GLU A 34 -5.234 2.201 1.901 1.00 0.00 O ATOM 556 OE2 GLU A 34 -5.862 3.075 3.817 1.00 0.00 O ATOM 0 H GLU A 34 -1.418 6.582 3.466 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.425 3.815 4.470 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.634 4.972 3.191 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.797 4.147 1.891 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.947 2.028 3.004 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.448 2.771 4.510 1.00 0.00 H new ATOM 563 N PHE A 35 -0.511 3.170 1.910 1.00 0.00 N ATOM 564 CA PHE A 35 0.516 2.833 0.929 1.00 0.00 C ATOM 565 C PHE A 35 -0.068 2.728 -0.480 1.00 0.00 C ATOM 566 O PHE A 35 -1.250 2.433 -0.655 1.00 0.00 O ATOM 567 CB PHE A 35 1.191 1.500 1.286 1.00 0.00 C ATOM 568 CG PHE A 35 1.231 1.187 2.757 1.00 0.00 C ATOM 569 CD1 PHE A 35 0.065 0.914 3.458 1.00 0.00 C ATOM 570 CD2 PHE A 35 2.437 1.160 3.437 1.00 0.00 C ATOM 571 CE1 PHE A 35 0.105 0.622 4.808 1.00 0.00 C ATOM 572 CE2 PHE A 35 2.483 0.869 4.787 1.00 0.00 C ATOM 573 CZ PHE A 35 1.315 0.601 5.473 1.00 0.00 C ATOM 0 H PHE A 35 -1.263 2.485 1.983 1.00 0.00 H new ATOM 0 HA PHE A 35 1.252 3.637 0.949 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.667 0.694 0.772 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.212 1.512 0.903 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.884 0.930 2.943 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.353 1.369 2.905 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -0.809 0.410 5.343 1.00 0.00 H new ATOM 0 HE2 PHE A 35 3.431 0.851 5.305 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.348 0.375 6.529 1.00 0.00 H new ATOM 583 N PRO A 36 0.777 2.935 -1.506 1.00 0.00 N ATOM 584 CA PRO A 36 0.377 2.831 -2.912 1.00 0.00 C ATOM 585 C PRO A 36 -0.298 1.496 -3.199 1.00 0.00 C ATOM 586 O PRO A 36 -0.243 0.584 -2.377 1.00 0.00 O ATOM 587 CB PRO A 36 1.698 2.936 -3.691 1.00 0.00 C ATOM 588 CG PRO A 36 2.776 2.762 -2.675 1.00 0.00 C ATOM 589 CD PRO A 36 2.207 3.252 -1.375 1.00 0.00 C ATOM 0 HA PRO A 36 -0.343 3.601 -3.188 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.760 2.170 -4.464 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.783 3.901 -4.191 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.075 1.717 -2.600 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.665 3.329 -2.950 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.657 2.747 -0.520 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.374 4.320 -1.237 1.00 0.00 H new ATOM 597 N GLY A 37 -0.930 1.374 -4.363 1.00 0.00 N ATOM 598 CA GLY A 37 -1.591 0.126 -4.699 1.00 0.00 C ATOM 599 C GLY A 37 -3.096 0.154 -4.536 1.00 0.00 C ATOM 600 O GLY A 37 -3.678 -0.623 -3.779 1.00 0.00 O ATOM 0 H GLY A 37 -0.996 2.106 -5.070 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.354 -0.131 -5.732 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.184 -0.667 -4.072 1.00 0.00 H new ATOM 604 N GLY A 38 -3.714 1.049 -5.267 1.00 0.00 N ATOM 605 CA GLY A 38 -5.156 1.190 -5.243 1.00 0.00 C ATOM 606 C GLY A 38 -5.765 1.048 -6.630 1.00 0.00 C ATOM 607 O GLY A 38 -5.238 1.602 -7.597 1.00 0.00 O ATOM 0 H GLY A 38 -3.238 1.699 -5.893 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.583 0.437 -4.581 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.418 2.164 -4.830 1.00 0.00 H new ATOM 611 N LYS A 39 -6.875 0.302 -6.722 1.00 0.00 N ATOM 612 CA LYS A 39 -7.582 0.074 -7.987 1.00 0.00 C ATOM 613 C LYS A 39 -7.092 -1.181 -8.707 1.00 0.00 C ATOM 614 O LYS A 39 -7.536 -1.472 -9.817 1.00 0.00 O ATOM 615 CB LYS A 39 -7.473 1.280 -8.923 1.00 0.00 C ATOM 616 CG LYS A 39 -8.335 1.148 -10.168 1.00 0.00 C ATOM 617 CD LYS A 39 -9.247 2.352 -10.354 1.00 0.00 C ATOM 618 CE LYS A 39 -8.460 3.652 -10.415 1.00 0.00 C ATOM 619 NZ LYS A 39 -9.008 4.678 -9.485 1.00 0.00 N ATOM 0 H LYS A 39 -7.307 -0.159 -5.921 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.629 -0.072 -7.723 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.763 2.180 -8.381 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.432 1.408 -9.221 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.695 1.038 -11.043 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.938 0.243 -10.098 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.824 2.233 -11.271 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.961 2.398 -9.532 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.417 3.457 -10.166 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.477 4.039 -11.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.444 5.549 -9.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.996 4.884 -9.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.968 4.319 -8.510 1.00 0.00 H new ATOM 633 N ILE A 40 -6.192 -1.937 -8.079 1.00 0.00 N ATOM 634 CA ILE A 40 -5.685 -3.168 -8.689 1.00 0.00 C ATOM 635 C ILE A 40 -6.837 -4.039 -9.157 1.00 0.00 C ATOM 636 O ILE A 40 -6.719 -4.808 -10.111 1.00 0.00 O ATOM 637 CB ILE A 40 -4.794 -3.976 -7.721 1.00 0.00 C ATOM 638 CG1 ILE A 40 -5.642 -4.754 -6.698 1.00 0.00 C ATOM 639 CG2 ILE A 40 -3.821 -3.043 -7.024 1.00 0.00 C ATOM 640 CD1 ILE A 40 -5.167 -6.174 -6.470 1.00 0.00 C ATOM 0 H ILE A 40 -5.803 -1.724 -7.161 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.073 -2.871 -9.541 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.230 -4.710 -8.297 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.631 -4.219 -5.748 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.677 -4.777 -7.039 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.193 -3.616 -6.341 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.194 -2.550 -7.767 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.376 -2.292 -6.462 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.812 -6.660 -5.738 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.205 -6.726 -7.409 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.142 -6.160 -6.099 1.00 0.00 H new ATOM 652 N GLU A 41 -7.950 -3.899 -8.456 1.00 0.00 N ATOM 653 CA GLU A 41 -9.159 -4.651 -8.745 1.00 0.00 C ATOM 654 C GLU A 41 -9.449 -4.663 -10.240 1.00 0.00 C ATOM 655 O GLU A 41 -9.145 -5.640 -10.921 1.00 0.00 O ATOM 656 CB GLU A 41 -10.344 -4.061 -7.972 1.00 0.00 C ATOM 657 CG GLU A 41 -10.308 -2.541 -7.829 1.00 0.00 C ATOM 658 CD GLU A 41 -11.552 -1.870 -8.380 1.00 0.00 C ATOM 659 OE1 GLU A 41 -12.196 -2.456 -9.276 1.00 0.00 O ATOM 660 OE2 GLU A 41 -11.882 -0.759 -7.915 1.00 0.00 O ATOM 0 H GLU A 41 -8.040 -3.258 -7.668 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.008 -5.682 -8.424 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.268 -4.345 -8.475 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.372 -4.507 -6.978 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.197 -2.282 -6.776 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.431 -2.152 -8.347 1.00 0.00 H new ATOM 667 N MET A 42 -10.023 -3.569 -10.740 1.00 0.00 N ATOM 668 CA MET A 42 -10.352 -3.436 -12.161 1.00 0.00 C ATOM 669 C MET A 42 -10.844 -4.758 -12.752 1.00 0.00 C ATOM 670 O MET A 42 -12.047 -5.006 -12.826 1.00 0.00 O ATOM 671 CB MET A 42 -9.134 -2.925 -12.939 1.00 0.00 C ATOM 672 CG MET A 42 -9.290 -1.500 -13.441 1.00 0.00 C ATOM 673 SD MET A 42 -7.710 -0.652 -13.627 1.00 0.00 S ATOM 674 CE MET A 42 -7.238 -1.173 -15.274 1.00 0.00 C ATOM 0 H MET A 42 -10.272 -2.755 -10.178 1.00 0.00 H new ATOM 0 HA MET A 42 -11.163 -2.713 -12.250 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.254 -2.982 -12.299 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.953 -3.583 -13.789 1.00 0.00 H new ATOM 0 HG2 MET A 42 -9.807 -1.512 -14.401 1.00 0.00 H new ATOM 0 HG3 MET A 42 -9.918 -0.941 -12.747 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.277 -0.729 -15.535 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.155 -2.259 -15.302 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.994 -0.848 -15.989 1.00 0.00 H new ATOM 684 N GLY A 43 -9.905 -5.603 -13.166 1.00 0.00 N ATOM 685 CA GLY A 43 -10.257 -6.886 -13.737 1.00 0.00 C ATOM 686 C GLY A 43 -9.100 -7.860 -13.741 1.00 0.00 C ATOM 687 O GLY A 43 -9.042 -8.765 -14.573 1.00 0.00 O ATOM 0 H GLY A 43 -8.903 -5.419 -13.115 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.086 -7.315 -13.174 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.608 -6.741 -14.759 1.00 0.00 H new ATOM 691 N GLU A 44 -8.174 -7.670 -12.814 1.00 0.00 N ATOM 692 CA GLU A 44 -7.004 -8.537 -12.718 1.00 0.00 C ATOM 693 C GLU A 44 -7.186 -9.587 -11.627 1.00 0.00 C ATOM 694 O GLU A 44 -8.242 -9.671 -11.002 1.00 0.00 O ATOM 695 CB GLU A 44 -5.752 -7.707 -12.443 1.00 0.00 C ATOM 696 CG GLU A 44 -5.052 -7.225 -13.704 1.00 0.00 C ATOM 697 CD GLU A 44 -5.236 -5.738 -13.941 1.00 0.00 C ATOM 698 OE1 GLU A 44 -4.856 -4.945 -13.055 1.00 0.00 O ATOM 699 OE2 GLU A 44 -5.760 -5.368 -15.012 1.00 0.00 O ATOM 0 H GLU A 44 -8.207 -6.926 -12.118 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.888 -9.053 -13.671 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.025 -6.844 -11.836 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.054 -8.302 -11.855 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.988 -7.449 -13.632 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.437 -7.776 -14.562 1.00 0.00 H new ATOM 706 N THR A 45 -6.147 -10.388 -11.404 1.00 0.00 N ATOM 707 CA THR A 45 -6.191 -11.432 -10.389 1.00 0.00 C ATOM 708 C THR A 45 -5.417 -10.999 -9.146 1.00 0.00 C ATOM 709 O THR A 45 -4.615 -10.071 -9.202 1.00 0.00 O ATOM 710 CB THR A 45 -5.609 -12.737 -10.944 1.00 0.00 C ATOM 711 OG1 THR A 45 -5.174 -12.567 -12.281 1.00 0.00 O ATOM 712 CG2 THR A 45 -6.593 -13.886 -10.926 1.00 0.00 C ATOM 0 H THR A 45 -5.265 -10.332 -11.914 1.00 0.00 H new ATOM 0 HA THR A 45 -7.231 -11.601 -10.111 1.00 0.00 H new ATOM 0 HB THR A 45 -4.775 -12.981 -10.286 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.805 -13.411 -12.615 1.00 0.00 H new ATOM 0 HG21 THR A 45 -6.117 -14.779 -11.332 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.910 -14.078 -9.901 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.462 -13.630 -11.532 1.00 0.00 H new ATOM 720 N PRO A 46 -5.641 -11.668 -8.006 1.00 0.00 N ATOM 721 CA PRO A 46 -4.953 -11.348 -6.755 1.00 0.00 C ATOM 722 C PRO A 46 -3.440 -11.232 -6.935 1.00 0.00 C ATOM 723 O PRO A 46 -2.763 -10.567 -6.151 1.00 0.00 O ATOM 724 CB PRO A 46 -5.300 -12.530 -5.832 1.00 0.00 C ATOM 725 CG PRO A 46 -5.931 -13.556 -6.714 1.00 0.00 C ATOM 726 CD PRO A 46 -6.567 -12.793 -7.834 1.00 0.00 C ATOM 0 HA PRO A 46 -5.265 -10.382 -6.359 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.407 -12.925 -5.348 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.982 -12.222 -5.039 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.188 -14.258 -7.091 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.672 -14.139 -6.168 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.651 -13.393 -8.740 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.572 -12.458 -7.579 1.00 0.00 H new ATOM 734 N GLU A 47 -2.915 -11.893 -7.964 1.00 0.00 N ATOM 735 CA GLU A 47 -1.481 -11.872 -8.231 1.00 0.00 C ATOM 736 C GLU A 47 -1.112 -10.864 -9.322 1.00 0.00 C ATOM 737 O GLU A 47 -0.175 -10.085 -9.160 1.00 0.00 O ATOM 738 CB GLU A 47 -1.004 -13.269 -8.634 1.00 0.00 C ATOM 739 CG GLU A 47 -0.201 -13.973 -7.553 1.00 0.00 C ATOM 740 CD GLU A 47 1.254 -13.545 -7.535 1.00 0.00 C ATOM 741 OE1 GLU A 47 1.729 -13.014 -8.560 1.00 0.00 O ATOM 742 OE2 GLU A 47 1.917 -13.740 -6.495 1.00 0.00 O ATOM 0 H GLU A 47 -3.460 -12.448 -8.624 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.983 -11.561 -7.313 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.870 -13.880 -8.888 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.395 -13.190 -9.534 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.649 -13.767 -6.581 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.257 -15.051 -7.708 1.00 0.00 H new ATOM 749 N GLN A 48 -1.836 -10.892 -10.439 1.00 0.00 N ATOM 750 CA GLN A 48 -1.553 -9.986 -11.551 1.00 0.00 C ATOM 751 C GLN A 48 -2.074 -8.579 -11.276 1.00 0.00 C ATOM 752 O GLN A 48 -1.549 -7.601 -11.806 1.00 0.00 O ATOM 753 CB GLN A 48 -2.168 -10.526 -12.843 1.00 0.00 C ATOM 754 CG GLN A 48 -1.438 -11.734 -13.405 1.00 0.00 C ATOM 755 CD GLN A 48 -1.432 -11.761 -14.921 1.00 0.00 C ATOM 756 OE1 GLN A 48 -0.494 -11.282 -15.559 1.00 0.00 O ATOM 757 NE2 GLN A 48 -2.484 -12.321 -15.507 1.00 0.00 N ATOM 0 H GLN A 48 -2.618 -11.527 -10.598 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.470 -9.928 -11.662 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.208 -10.795 -12.656 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.173 -9.734 -13.592 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -0.410 -11.734 -13.042 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.908 -12.644 -13.031 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.239 -12.706 -14.939 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -2.537 -12.366 -16.525 1.00 0.00 H new ATOM 766 N ALA A 49 -3.105 -8.482 -10.449 1.00 0.00 N ATOM 767 CA ALA A 49 -3.688 -7.188 -10.112 1.00 0.00 C ATOM 768 C ALA A 49 -2.644 -6.264 -9.503 1.00 0.00 C ATOM 769 O ALA A 49 -2.547 -5.093 -9.871 1.00 0.00 O ATOM 770 CB ALA A 49 -4.863 -7.367 -9.165 1.00 0.00 C ATOM 0 H ALA A 49 -3.555 -9.280 -10.000 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.051 -6.727 -11.031 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.287 -6.392 -8.923 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.624 -7.985 -9.642 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.522 -7.852 -8.250 1.00 0.00 H new ATOM 776 N VAL A 50 -1.857 -6.796 -8.575 1.00 0.00 N ATOM 777 CA VAL A 50 -0.814 -6.010 -7.927 1.00 0.00 C ATOM 778 C VAL A 50 0.400 -5.877 -8.840 1.00 0.00 C ATOM 779 O VAL A 50 0.947 -4.791 -9.004 1.00 0.00 O ATOM 780 CB VAL A 50 -0.378 -6.613 -6.563 1.00 0.00 C ATOM 781 CG1 VAL A 50 -1.486 -7.467 -5.960 1.00 0.00 C ATOM 782 CG2 VAL A 50 0.906 -7.425 -6.698 1.00 0.00 C ATOM 0 H VAL A 50 -1.920 -7.763 -8.256 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.238 -5.025 -7.733 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.182 -5.780 -5.888 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.152 -7.876 -5.006 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.373 -6.853 -5.801 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.727 -8.284 -6.640 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.183 -7.832 -5.726 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.748 -8.242 -7.402 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.707 -6.782 -7.063 1.00 0.00 H new ATOM 792 N VAL A 51 0.819 -6.999 -9.424 1.00 0.00 N ATOM 793 CA VAL A 51 1.971 -7.016 -10.312 1.00 0.00 C ATOM 794 C VAL A 51 1.754 -6.102 -11.506 1.00 0.00 C ATOM 795 O VAL A 51 2.672 -5.410 -11.948 1.00 0.00 O ATOM 796 CB VAL A 51 2.275 -8.443 -10.812 1.00 0.00 C ATOM 797 CG1 VAL A 51 3.531 -8.460 -11.672 1.00 0.00 C ATOM 798 CG2 VAL A 51 2.415 -9.402 -9.639 1.00 0.00 C ATOM 0 H VAL A 51 0.374 -7.908 -9.295 1.00 0.00 H new ATOM 0 HA VAL A 51 2.823 -6.656 -9.735 1.00 0.00 H new ATOM 0 HB VAL A 51 1.438 -8.773 -11.428 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.725 -9.477 -12.013 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.390 -7.809 -12.535 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.379 -8.106 -11.085 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.629 -10.404 -10.012 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.230 -9.072 -8.995 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.486 -9.418 -9.069 1.00 0.00 H new ATOM 808 N ARG A 52 0.535 -6.101 -12.028 1.00 0.00 N ATOM 809 CA ARG A 52 0.205 -5.269 -13.172 1.00 0.00 C ATOM 810 C ARG A 52 -0.013 -3.823 -12.749 1.00 0.00 C ATOM 811 O ARG A 52 0.493 -2.897 -13.382 1.00 0.00 O ATOM 812 CB ARG A 52 -1.040 -5.802 -13.885 1.00 0.00 C ATOM 813 CG ARG A 52 -1.147 -5.359 -15.335 1.00 0.00 C ATOM 814 CD ARG A 52 -0.135 -6.078 -16.213 1.00 0.00 C ATOM 815 NE ARG A 52 0.300 -5.252 -17.336 1.00 0.00 N ATOM 816 CZ ARG A 52 1.241 -5.616 -18.204 1.00 0.00 C ATOM 817 NH1 ARG A 52 1.849 -6.790 -18.081 1.00 0.00 N ATOM 818 NH2 ARG A 52 1.575 -4.806 -19.199 1.00 0.00 N ATOM 0 H ARG A 52 -0.238 -6.666 -11.677 1.00 0.00 H new ATOM 0 HA ARG A 52 1.047 -5.302 -13.864 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.032 -6.891 -13.846 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.927 -5.470 -13.346 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.154 -5.555 -15.703 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.988 -4.283 -15.401 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.731 -6.359 -15.613 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.574 -7.001 -16.591 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.144 -4.342 -17.463 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.596 -7.418 -17.318 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.569 -7.064 -18.749 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.111 -3.903 -19.300 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.296 -5.085 -19.864 1.00 0.00 H new ATOM 832 N GLU A 53 -0.770 -3.634 -11.674 1.00 0.00 N ATOM 833 CA GLU A 53 -1.050 -2.299 -11.168 1.00 0.00 C ATOM 834 C GLU A 53 0.196 -1.681 -10.545 1.00 0.00 C ATOM 835 O GLU A 53 0.300 -0.459 -10.436 1.00 0.00 O ATOM 836 CB GLU A 53 -2.182 -2.338 -10.141 1.00 0.00 C ATOM 837 CG GLU A 53 -2.790 -0.973 -9.863 1.00 0.00 C ATOM 838 CD GLU A 53 -4.149 -0.790 -10.512 1.00 0.00 C ATOM 839 OE1 GLU A 53 -4.546 -1.657 -11.319 1.00 0.00 O ATOM 840 OE2 GLU A 53 -4.815 0.224 -10.215 1.00 0.00 O ATOM 0 H GLU A 53 -1.199 -4.388 -11.138 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.360 -1.681 -12.011 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.963 -3.010 -10.497 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.803 -2.756 -9.208 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.886 -0.836 -8.786 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.113 -0.199 -10.224 1.00 0.00 H new ATOM 847 N LEU A 54 1.145 -2.525 -10.141 1.00 0.00 N ATOM 848 CA LEU A 54 2.380 -2.037 -9.539 1.00 0.00 C ATOM 849 C LEU A 54 3.040 -1.021 -10.454 1.00 0.00 C ATOM 850 O LEU A 54 3.468 0.039 -10.011 1.00 0.00 O ATOM 851 CB LEU A 54 3.345 -3.193 -9.257 1.00 0.00 C ATOM 852 CG LEU A 54 3.820 -3.305 -7.806 1.00 0.00 C ATOM 853 CD1 LEU A 54 2.653 -3.153 -6.837 1.00 0.00 C ATOM 854 CD2 LEU A 54 4.530 -4.633 -7.590 1.00 0.00 C ATOM 0 H LEU A 54 1.082 -3.540 -10.219 1.00 0.00 H new ATOM 0 HA LEU A 54 2.132 -1.558 -8.592 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.859 -4.128 -9.537 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.218 -3.082 -9.901 1.00 0.00 H new ATOM 0 HG LEU A 54 4.524 -2.496 -7.609 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.017 -3.236 -5.813 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.187 -2.178 -6.978 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.919 -3.936 -7.026 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.864 -4.703 -6.555 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.844 -5.452 -7.806 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.392 -4.697 -8.254 1.00 0.00 H new ATOM 866 N GLN A 55 3.089 -1.340 -11.741 1.00 0.00 N ATOM 867 CA GLN A 55 3.669 -0.435 -12.720 1.00 0.00 C ATOM 868 C GLN A 55 2.907 0.885 -12.705 1.00 0.00 C ATOM 869 O GLN A 55 3.480 1.955 -12.907 1.00 0.00 O ATOM 870 CB GLN A 55 3.623 -1.060 -14.118 1.00 0.00 C ATOM 871 CG GLN A 55 4.964 -1.049 -14.834 1.00 0.00 C ATOM 872 CD GLN A 55 6.068 -1.687 -14.013 1.00 0.00 C ATOM 873 OE1 GLN A 55 5.822 -2.592 -13.217 1.00 0.00 O ATOM 874 NE2 GLN A 55 7.295 -1.214 -14.204 1.00 0.00 N ATOM 0 H GLN A 55 2.735 -2.215 -12.128 1.00 0.00 H new ATOM 0 HA GLN A 55 4.712 -0.250 -12.463 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.273 -2.089 -14.035 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.893 -0.523 -14.723 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.870 -1.578 -15.783 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.238 -0.020 -15.068 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.453 -0.462 -14.875 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.079 -1.603 -13.680 1.00 0.00 H new ATOM 883 N GLU A 56 1.606 0.790 -12.446 1.00 0.00 N ATOM 884 CA GLU A 56 0.744 1.962 -12.379 1.00 0.00 C ATOM 885 C GLU A 56 0.926 2.699 -11.057 1.00 0.00 C ATOM 886 O GLU A 56 0.672 3.900 -10.968 1.00 0.00 O ATOM 887 CB GLU A 56 -0.720 1.549 -12.534 1.00 0.00 C ATOM 888 CG GLU A 56 -1.561 2.549 -13.311 1.00 0.00 C ATOM 889 CD GLU A 56 -2.759 3.045 -12.522 1.00 0.00 C ATOM 890 OE1 GLU A 56 -3.205 2.326 -11.600 1.00 0.00 O ATOM 891 OE2 GLU A 56 -3.251 4.152 -12.824 1.00 0.00 O ATOM 0 H GLU A 56 1.125 -0.094 -12.278 1.00 0.00 H new ATOM 0 HA GLU A 56 1.023 2.631 -13.193 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.764 0.583 -13.037 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.156 1.413 -11.544 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.939 3.399 -13.593 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.906 2.086 -14.236 1.00 0.00 H new ATOM 898 N GLU A 57 1.342 1.968 -10.025 1.00 0.00 N ATOM 899 CA GLU A 57 1.529 2.555 -8.704 1.00 0.00 C ATOM 900 C GLU A 57 3.008 2.687 -8.337 1.00 0.00 C ATOM 901 O GLU A 57 3.344 3.069 -7.216 1.00 0.00 O ATOM 902 CB GLU A 57 0.801 1.718 -7.653 1.00 0.00 C ATOM 903 CG GLU A 57 -0.620 2.186 -7.382 1.00 0.00 C ATOM 904 CD GLU A 57 -1.441 2.341 -8.645 1.00 0.00 C ATOM 905 OE1 GLU A 57 -1.173 3.287 -9.416 1.00 0.00 O ATOM 906 OE2 GLU A 57 -2.355 1.520 -8.862 1.00 0.00 O ATOM 0 H GLU A 57 1.555 0.972 -10.079 1.00 0.00 H new ATOM 0 HA GLU A 57 1.108 3.560 -8.729 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.776 0.679 -7.981 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.368 1.745 -6.722 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.112 1.473 -6.720 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.589 3.140 -6.856 1.00 0.00 H new ATOM 913 N VAL A 58 3.887 2.380 -9.287 1.00 0.00 N ATOM 914 CA VAL A 58 5.322 2.475 -9.063 1.00 0.00 C ATOM 915 C VAL A 58 5.985 3.167 -10.244 1.00 0.00 C ATOM 916 O VAL A 58 6.827 4.049 -10.076 1.00 0.00 O ATOM 917 CB VAL A 58 5.944 1.071 -8.856 1.00 0.00 C ATOM 918 CG1 VAL A 58 7.447 1.073 -9.096 1.00 0.00 C ATOM 919 CG2 VAL A 58 5.629 0.554 -7.461 1.00 0.00 C ATOM 0 H VAL A 58 3.627 2.063 -10.221 1.00 0.00 H new ATOM 0 HA VAL A 58 5.491 3.061 -8.159 1.00 0.00 H new ATOM 0 HB VAL A 58 5.498 0.403 -9.593 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.842 0.069 -8.940 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.652 1.388 -10.119 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.926 1.763 -8.401 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.072 -0.433 -7.330 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.040 1.238 -6.718 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.549 0.486 -7.333 1.00 0.00 H new ATOM 929 N GLY A 59 5.582 2.763 -11.442 1.00 0.00 N ATOM 930 CA GLY A 59 6.117 3.344 -12.653 1.00 0.00 C ATOM 931 C GLY A 59 7.557 2.970 -12.927 1.00 0.00 C ATOM 932 O GLY A 59 7.923 2.663 -14.062 1.00 0.00 O ATOM 0 H GLY A 59 4.885 2.034 -11.594 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.503 3.030 -13.497 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.039 4.429 -12.589 1.00 0.00 H new ATOM 936 N ILE A 60 8.369 3.005 -11.894 1.00 0.00 N ATOM 937 CA ILE A 60 9.778 2.681 -12.009 1.00 0.00 C ATOM 938 C ILE A 60 10.009 1.181 -11.916 1.00 0.00 C ATOM 939 O ILE A 60 9.064 0.395 -11.862 1.00 0.00 O ATOM 940 CB ILE A 60 10.623 3.378 -10.922 1.00 0.00 C ATOM 941 CG1 ILE A 60 9.844 3.547 -9.619 1.00 0.00 C ATOM 942 CG2 ILE A 60 11.137 4.719 -11.418 1.00 0.00 C ATOM 943 CD1 ILE A 60 10.702 3.362 -8.385 1.00 0.00 C ATOM 0 H ILE A 60 8.074 3.258 -10.951 1.00 0.00 H new ATOM 0 HA ILE A 60 10.093 3.042 -12.988 1.00 0.00 H new ATOM 0 HB ILE A 60 11.477 2.735 -10.711 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.396 4.540 -9.597 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.025 2.828 -9.596 1.00 0.00 H new ATOM 0 HG21 ILE A 60 11.730 5.193 -10.636 1.00 0.00 H new ATOM 0 HG22 ILE A 60 11.757 4.567 -12.302 1.00 0.00 H new ATOM 0 HG23 ILE A 60 10.293 5.360 -11.673 1.00 0.00 H new ATOM 0 HD11 ILE A 60 10.090 3.495 -7.493 1.00 0.00 H new ATOM 0 HD12 ILE A 60 11.129 2.359 -8.386 1.00 0.00 H new ATOM 0 HD13 ILE A 60 11.505 4.099 -8.387 1.00 0.00 H new ATOM 955 N THR A 61 11.279 0.795 -11.909 1.00 0.00 N ATOM 956 CA THR A 61 11.664 -0.592 -11.832 1.00 0.00 C ATOM 957 C THR A 61 12.352 -0.883 -10.505 1.00 0.00 C ATOM 958 O THR A 61 13.569 -0.744 -10.389 1.00 0.00 O ATOM 959 CB THR A 61 12.624 -0.868 -12.969 1.00 0.00 C ATOM 960 OG1 THR A 61 13.472 0.249 -13.184 1.00 0.00 O ATOM 961 CG2 THR A 61 11.928 -1.170 -14.277 1.00 0.00 C ATOM 0 H THR A 61 12.065 1.443 -11.957 1.00 0.00 H new ATOM 0 HA THR A 61 10.781 -1.227 -11.904 1.00 0.00 H new ATOM 0 HB THR A 61 13.192 -1.748 -12.666 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.918 0.487 -12.345 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.673 -1.358 -15.050 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.297 -2.051 -14.158 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.312 -0.319 -14.566 1.00 0.00 H new ATOM 969 N PRO A 62 11.585 -1.249 -9.467 1.00 0.00 N ATOM 970 CA PRO A 62 12.118 -1.506 -8.146 1.00 0.00 C ATOM 971 C PRO A 62 12.137 -2.974 -7.757 1.00 0.00 C ATOM 972 O PRO A 62 11.280 -3.748 -8.184 1.00 0.00 O ATOM 973 CB PRO A 62 11.070 -0.791 -7.313 1.00 0.00 C ATOM 974 CG PRO A 62 9.784 -1.154 -7.985 1.00 0.00 C ATOM 975 CD PRO A 62 10.119 -1.385 -9.446 1.00 0.00 C ATOM 0 HA PRO A 62 13.156 -1.191 -8.039 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.088 -1.122 -6.275 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.229 0.287 -7.307 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.351 -2.049 -7.539 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.049 -0.356 -7.876 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.799 -2.371 -9.784 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.635 -0.653 -10.093 1.00 0.00 H new ATOM 983 N GLN A 63 13.071 -3.339 -6.884 1.00 0.00 N ATOM 984 CA GLN A 63 13.115 -4.698 -6.388 1.00 0.00 C ATOM 985 C GLN A 63 11.974 -4.820 -5.397 1.00 0.00 C ATOM 986 O GLN A 63 12.156 -4.690 -4.187 1.00 0.00 O ATOM 987 CB GLN A 63 14.454 -4.992 -5.710 1.00 0.00 C ATOM 988 CG GLN A 63 15.622 -5.070 -6.679 1.00 0.00 C ATOM 989 CD GLN A 63 16.957 -5.195 -5.973 1.00 0.00 C ATOM 990 OE1 GLN A 63 17.863 -4.389 -6.185 1.00 0.00 O ATOM 991 NE2 GLN A 63 17.087 -6.212 -5.128 1.00 0.00 N ATOM 0 H GLN A 63 13.793 -2.721 -6.514 1.00 0.00 H new ATOM 0 HA GLN A 63 13.015 -5.417 -7.201 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.656 -4.216 -4.972 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.378 -5.935 -5.168 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.484 -5.925 -7.341 1.00 0.00 H new ATOM 0 HG3 GLN A 63 15.629 -4.179 -7.307 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.310 -6.857 -4.982 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.964 -6.348 -4.625 1.00 0.00 H new ATOM 1000 N HIS A 64 10.787 -5.005 -5.945 1.00 0.00 N ATOM 1001 CA HIS A 64 9.569 -5.074 -5.158 1.00 0.00 C ATOM 1002 C HIS A 64 8.808 -6.354 -5.456 1.00 0.00 C ATOM 1003 O HIS A 64 8.522 -6.658 -6.614 1.00 0.00 O ATOM 1004 CB HIS A 64 8.728 -3.838 -5.496 1.00 0.00 C ATOM 1005 CG HIS A 64 7.275 -3.929 -5.131 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.774 -4.828 -4.216 1.00 0.00 N ATOM 1007 CD2 HIS A 64 6.212 -3.215 -5.572 1.00 0.00 C ATOM 1008 CE1 HIS A 64 5.466 -4.667 -4.112 1.00 0.00 C ATOM 1009 NE2 HIS A 64 5.100 -3.692 -4.922 1.00 0.00 N ATOM 0 H HIS A 64 10.640 -5.112 -6.949 1.00 0.00 H new ATOM 0 HA HIS A 64 9.803 -5.086 -4.093 1.00 0.00 H new ATOM 0 HB2 HIS A 64 9.160 -2.976 -4.988 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.805 -3.649 -6.567 1.00 0.00 H new ATOM 0 HD1 HIS A 64 7.326 -5.512 -3.699 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.235 -2.418 -6.300 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.808 -5.237 -3.472 1.00 0.00 H new ATOM 1018 N PHE A 65 8.495 -7.112 -4.410 1.00 0.00 N ATOM 1019 CA PHE A 65 7.785 -8.367 -4.584 1.00 0.00 C ATOM 1020 C PHE A 65 7.518 -9.061 -3.250 1.00 0.00 C ATOM 1021 O PHE A 65 8.112 -8.718 -2.230 1.00 0.00 O ATOM 1022 CB PHE A 65 8.621 -9.279 -5.459 1.00 0.00 C ATOM 1023 CG PHE A 65 7.821 -10.298 -6.218 1.00 0.00 C ATOM 1024 CD1 PHE A 65 7.104 -9.930 -7.344 1.00 0.00 C ATOM 1025 CD2 PHE A 65 7.786 -11.621 -5.809 1.00 0.00 C ATOM 1026 CE1 PHE A 65 6.366 -10.861 -8.049 1.00 0.00 C ATOM 1027 CE2 PHE A 65 7.049 -12.558 -6.509 1.00 0.00 C ATOM 1028 CZ PHE A 65 6.337 -12.176 -7.631 1.00 0.00 C ATOM 0 H PHE A 65 8.721 -6.879 -3.443 1.00 0.00 H new ATOM 0 HA PHE A 65 6.822 -8.153 -5.047 1.00 0.00 H new ATOM 0 HB2 PHE A 65 9.182 -8.671 -6.168 1.00 0.00 H new ATOM 0 HB3 PHE A 65 9.350 -9.796 -4.835 1.00 0.00 H new ATOM 0 HD1 PHE A 65 7.122 -8.902 -7.675 1.00 0.00 H new ATOM 0 HD2 PHE A 65 8.341 -11.924 -4.933 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.812 -10.560 -8.926 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.029 -13.587 -6.180 1.00 0.00 H new ATOM 0 HZ PHE A 65 5.759 -12.905 -8.179 1.00 0.00 H new ATOM 1038 N SER A 66 6.626 -10.052 -3.279 1.00 0.00 N ATOM 1039 CA SER A 66 6.267 -10.822 -2.085 1.00 0.00 C ATOM 1040 C SER A 66 5.210 -10.090 -1.268 1.00 0.00 C ATOM 1041 O SER A 66 5.026 -8.882 -1.417 1.00 0.00 O ATOM 1042 CB SER A 66 7.500 -11.103 -1.218 1.00 0.00 C ATOM 1043 OG SER A 66 7.445 -12.406 -0.661 1.00 0.00 O ATOM 0 H SER A 66 6.134 -10.343 -4.124 1.00 0.00 H new ATOM 0 HA SER A 66 5.855 -11.775 -2.417 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.403 -10.999 -1.820 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.563 -10.365 -0.419 1.00 0.00 H new ATOM 0 HG SER A 66 8.243 -12.562 -0.114 1.00 0.00 H new ATOM 1049 N LEU A 67 4.512 -10.827 -0.408 1.00 0.00 N ATOM 1050 CA LEU A 67 3.471 -10.238 0.423 1.00 0.00 C ATOM 1051 C LEU A 67 3.850 -10.278 1.900 1.00 0.00 C ATOM 1052 O LEU A 67 4.270 -11.314 2.417 1.00 0.00 O ATOM 1053 CB LEU A 67 2.135 -10.955 0.198 1.00 0.00 C ATOM 1054 CG LEU A 67 1.968 -12.287 0.934 1.00 0.00 C ATOM 1055 CD1 LEU A 67 1.476 -12.055 2.355 1.00 0.00 C ATOM 1056 CD2 LEU A 67 1.008 -13.192 0.177 1.00 0.00 C ATOM 0 H LEU A 67 4.649 -11.828 -0.270 1.00 0.00 H new ATOM 0 HA LEU A 67 3.364 -9.193 0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.329 -10.288 0.503 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.014 -11.133 -0.871 1.00 0.00 H new ATOM 0 HG LEU A 67 2.940 -12.778 0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.363 -13.013 2.862 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.198 -11.442 2.894 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.514 -11.544 2.328 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.899 -14.135 0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.036 -12.706 0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.400 -13.384 -0.822 1.00 0.00 H new ATOM 1068 N PHE A 68 3.692 -9.143 2.574 1.00 0.00 N ATOM 1069 CA PHE A 68 4.009 -9.045 3.993 1.00 0.00 C ATOM 1070 C PHE A 68 2.789 -9.424 4.831 1.00 0.00 C ATOM 1071 O PHE A 68 2.915 -10.003 5.910 1.00 0.00 O ATOM 1072 CB PHE A 68 4.502 -7.623 4.327 1.00 0.00 C ATOM 1073 CG PHE A 68 3.649 -6.859 5.309 1.00 0.00 C ATOM 1074 CD1 PHE A 68 2.349 -6.497 4.989 1.00 0.00 C ATOM 1075 CD2 PHE A 68 4.154 -6.495 6.547 1.00 0.00 C ATOM 1076 CE1 PHE A 68 1.570 -5.792 5.886 1.00 0.00 C ATOM 1077 CE2 PHE A 68 3.379 -5.786 7.447 1.00 0.00 C ATOM 1078 CZ PHE A 68 2.085 -5.433 7.116 1.00 0.00 C ATOM 0 H PHE A 68 3.346 -8.278 2.159 1.00 0.00 H new ATOM 0 HA PHE A 68 4.810 -9.744 4.233 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.514 -7.692 4.726 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.563 -7.051 3.401 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.941 -6.770 4.027 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.165 -6.768 6.812 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.558 -5.521 5.625 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.785 -5.508 8.408 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.478 -4.878 7.817 1.00 0.00 H new ATOM 1088 N GLU A 69 1.609 -9.090 4.316 1.00 0.00 N ATOM 1089 CA GLU A 69 0.357 -9.388 4.998 1.00 0.00 C ATOM 1090 C GLU A 69 -0.830 -9.083 4.091 1.00 0.00 C ATOM 1091 O GLU A 69 -0.762 -8.193 3.246 1.00 0.00 O ATOM 1092 CB GLU A 69 0.250 -8.581 6.292 1.00 0.00 C ATOM 1093 CG GLU A 69 -0.444 -9.327 7.420 1.00 0.00 C ATOM 1094 CD GLU A 69 0.028 -8.881 8.790 1.00 0.00 C ATOM 1095 OE1 GLU A 69 0.145 -7.657 9.008 1.00 0.00 O ATOM 1096 OE2 GLU A 69 0.281 -9.757 9.644 1.00 0.00 O ATOM 0 H GLU A 69 1.496 -8.610 3.423 1.00 0.00 H new ATOM 0 HA GLU A 69 0.344 -10.450 5.245 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.251 -8.298 6.617 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.293 -7.658 6.090 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.521 -9.175 7.343 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.265 -10.396 7.308 1.00 0.00 H new ATOM 1103 N LYS A 70 -1.918 -9.821 4.269 1.00 0.00 N ATOM 1104 CA LYS A 70 -3.114 -9.616 3.461 1.00 0.00 C ATOM 1105 C LYS A 70 -4.373 -9.815 4.301 1.00 0.00 C ATOM 1106 O LYS A 70 -4.709 -10.938 4.674 1.00 0.00 O ATOM 1107 CB LYS A 70 -3.122 -10.576 2.270 1.00 0.00 C ATOM 1108 CG LYS A 70 -3.199 -12.041 2.671 1.00 0.00 C ATOM 1109 CD LYS A 70 -2.210 -12.888 1.887 1.00 0.00 C ATOM 1110 CE LYS A 70 -1.626 -14.000 2.745 1.00 0.00 C ATOM 1111 NZ LYS A 70 -2.678 -14.713 3.520 1.00 0.00 N ATOM 0 H LYS A 70 -1.998 -10.564 4.963 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.103 -8.591 3.089 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.970 -10.338 1.628 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.220 -10.416 1.679 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.997 -12.138 3.738 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.210 -12.412 2.503 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.707 -13.320 1.019 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.405 -12.256 1.512 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.099 -14.711 2.109 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.891 -13.581 3.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.353 -15.676 3.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.867 -14.198 4.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.550 -14.764 2.956 1.00 0.00 H new ATOM 1125 N LEU A 71 -5.063 -8.718 4.598 1.00 0.00 N ATOM 1126 CA LEU A 71 -6.281 -8.776 5.396 1.00 0.00 C ATOM 1127 C LEU A 71 -7.467 -8.211 4.617 1.00 0.00 C ATOM 1128 O LEU A 71 -7.337 -7.217 3.902 1.00 0.00 O ATOM 1129 CB LEU A 71 -6.079 -8.013 6.713 1.00 0.00 C ATOM 1130 CG LEU A 71 -7.205 -7.053 7.113 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -7.153 -6.762 8.605 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -7.114 -5.762 6.311 1.00 0.00 C ATOM 0 H LEU A 71 -4.799 -7.780 4.298 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.500 -9.819 5.626 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.946 -8.740 7.514 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.152 -7.444 6.642 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.160 -7.529 6.890 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.960 -6.079 8.871 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.267 -7.692 9.161 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.195 -6.306 8.854 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.921 -5.092 6.608 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.154 -5.282 6.502 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.201 -5.987 5.248 1.00 0.00 H new ATOM 1144 N GLU A 72 -8.622 -8.853 4.760 1.00 0.00 N ATOM 1145 CA GLU A 72 -9.830 -8.415 4.073 1.00 0.00 C ATOM 1146 C GLU A 72 -11.051 -8.539 4.982 1.00 0.00 C ATOM 1147 O GLU A 72 -11.196 -9.516 5.717 1.00 0.00 O ATOM 1148 CB GLU A 72 -10.042 -9.232 2.795 1.00 0.00 C ATOM 1149 CG GLU A 72 -10.439 -10.677 3.051 1.00 0.00 C ATOM 1150 CD GLU A 72 -9.306 -11.499 3.633 1.00 0.00 C ATOM 1151 OE1 GLU A 72 -9.153 -11.506 4.873 1.00 0.00 O ATOM 1152 OE2 GLU A 72 -8.572 -12.136 2.850 1.00 0.00 O ATOM 0 H GLU A 72 -8.746 -9.679 5.346 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.705 -7.365 3.807 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.814 -8.754 2.193 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.124 -9.216 2.208 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.288 -10.701 3.734 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -10.769 -11.130 2.116 1.00 0.00 H new ATOM 1159 N TYR A 73 -11.927 -7.543 4.919 1.00 0.00 N ATOM 1160 CA TYR A 73 -13.142 -7.534 5.727 1.00 0.00 C ATOM 1161 C TYR A 73 -14.312 -6.982 4.921 1.00 0.00 C ATOM 1162 O TYR A 73 -14.445 -5.770 4.753 1.00 0.00 O ATOM 1163 CB TYR A 73 -12.934 -6.698 6.991 1.00 0.00 C ATOM 1164 CG TYR A 73 -14.143 -6.661 7.900 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -14.574 -7.804 8.560 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -14.852 -5.482 8.095 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -15.678 -7.774 9.391 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -15.957 -5.444 8.925 1.00 0.00 C ATOM 1169 CZ TYR A 73 -16.366 -6.592 9.570 1.00 0.00 C ATOM 1170 OH TYR A 73 -17.465 -6.557 10.396 1.00 0.00 O ATOM 0 H TYR A 73 -11.818 -6.728 4.315 1.00 0.00 H new ATOM 0 HA TYR A 73 -13.370 -8.559 6.018 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -12.085 -7.098 7.546 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -12.675 -5.679 6.704 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -14.038 -8.731 8.422 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -14.535 -4.581 7.590 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -16.000 -8.672 9.898 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -16.497 -4.520 9.067 1.00 0.00 H new ATOM 0 HH TYR A 73 -17.833 -5.649 10.413 1.00 0.00 H new ATOM 1180 N GLU A 74 -15.155 -7.877 4.418 1.00 0.00 N ATOM 1181 CA GLU A 74 -16.304 -7.472 3.617 1.00 0.00 C ATOM 1182 C GLU A 74 -17.298 -6.662 4.440 1.00 0.00 C ATOM 1183 O GLU A 74 -17.604 -7.001 5.584 1.00 0.00 O ATOM 1184 CB GLU A 74 -17.000 -8.696 3.019 1.00 0.00 C ATOM 1185 CG GLU A 74 -17.016 -9.906 3.942 1.00 0.00 C ATOM 1186 CD GLU A 74 -16.193 -11.062 3.408 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -15.088 -10.811 2.883 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -16.654 -12.218 3.515 1.00 0.00 O ATOM 0 H GLU A 74 -15.065 -8.884 4.550 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.935 -6.840 2.809 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -18.026 -8.431 2.765 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -16.501 -8.967 2.088 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.634 -9.616 4.921 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -18.045 -10.234 4.086 1.00 0.00 H new ATOM 1195 N PHE A 75 -17.800 -5.589 3.840 1.00 0.00 N ATOM 1196 CA PHE A 75 -18.765 -4.715 4.490 1.00 0.00 C ATOM 1197 C PHE A 75 -20.176 -5.007 3.982 1.00 0.00 C ATOM 1198 O PHE A 75 -20.346 -5.637 2.939 1.00 0.00 O ATOM 1199 CB PHE A 75 -18.401 -3.249 4.238 1.00 0.00 C ATOM 1200 CG PHE A 75 -17.918 -2.530 5.467 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -16.980 -3.112 6.302 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -18.403 -1.271 5.783 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -16.533 -2.454 7.432 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -17.960 -0.606 6.911 1.00 0.00 C ATOM 1205 CZ PHE A 75 -17.025 -1.199 7.737 1.00 0.00 C ATOM 0 H PHE A 75 -17.550 -5.303 2.894 1.00 0.00 H new ATOM 0 HA PHE A 75 -18.739 -4.903 5.563 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -17.627 -3.202 3.472 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -19.274 -2.729 3.842 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -16.593 -4.092 6.068 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -19.135 -0.804 5.141 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -15.801 -2.919 8.075 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -18.344 0.376 7.146 1.00 0.00 H new ATOM 0 HZ PHE A 75 -16.679 -0.683 8.620 1.00 0.00 H new ATOM 1215 N PRO A 76 -21.207 -4.551 4.715 1.00 0.00 N ATOM 1216 CA PRO A 76 -22.608 -4.761 4.340 1.00 0.00 C ATOM 1217 C PRO A 76 -22.902 -4.302 2.918 1.00 0.00 C ATOM 1218 O PRO A 76 -23.403 -3.198 2.702 1.00 0.00 O ATOM 1219 CB PRO A 76 -23.396 -3.914 5.352 1.00 0.00 C ATOM 1220 CG PRO A 76 -22.384 -3.033 6.005 1.00 0.00 C ATOM 1221 CD PRO A 76 -21.091 -3.790 5.960 1.00 0.00 C ATOM 0 HA PRO A 76 -22.874 -5.818 4.361 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -24.167 -3.325 4.855 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -23.899 -4.545 6.085 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -22.298 -2.081 5.481 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -22.668 -2.806 7.033 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -20.230 -3.121 5.947 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -20.974 -4.443 6.825 1.00 0.00 H new ATOM 1229 N ASP A 77 -22.579 -5.169 1.958 1.00 0.00 N ATOM 1230 CA ASP A 77 -22.788 -4.905 0.528 1.00 0.00 C ATOM 1231 C ASP A 77 -21.483 -4.513 -0.159 1.00 0.00 C ATOM 1232 O ASP A 77 -21.335 -4.687 -1.369 1.00 0.00 O ATOM 1233 CB ASP A 77 -23.843 -3.815 0.299 1.00 0.00 C ATOM 1234 CG ASP A 77 -24.408 -3.843 -1.108 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -25.099 -4.825 -1.451 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -24.160 -2.883 -1.867 1.00 0.00 O ATOM 0 H ASP A 77 -22.162 -6.080 2.148 1.00 0.00 H new ATOM 0 HA ASP A 77 -23.153 -5.833 0.088 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -24.654 -3.942 1.016 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -23.399 -2.838 0.490 1.00 0.00 H new ATOM 1241 N ARG A 78 -20.539 -3.985 0.613 1.00 0.00 N ATOM 1242 CA ARG A 78 -19.249 -3.574 0.066 1.00 0.00 C ATOM 1243 C ARG A 78 -18.134 -4.503 0.533 1.00 0.00 C ATOM 1244 O ARG A 78 -17.574 -4.319 1.612 1.00 0.00 O ATOM 1245 CB ARG A 78 -18.932 -2.135 0.478 1.00 0.00 C ATOM 1246 CG ARG A 78 -17.820 -1.498 -0.341 1.00 0.00 C ATOM 1247 CD ARG A 78 -17.393 -0.158 0.240 1.00 0.00 C ATOM 1248 NE ARG A 78 -15.939 -0.015 0.286 1.00 0.00 N ATOM 1249 CZ ARG A 78 -15.314 1.101 0.661 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -16.012 2.169 1.023 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -13.988 1.147 0.674 1.00 0.00 N ATOM 0 H ARG A 78 -20.641 -3.832 1.616 1.00 0.00 H new ATOM 0 HA ARG A 78 -19.312 -3.631 -1.021 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.834 -1.531 0.382 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -18.650 -2.121 1.531 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -16.962 -2.170 -0.376 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -18.158 -1.359 -1.368 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -17.817 0.648 -0.359 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -17.799 -0.054 1.246 1.00 0.00 H new ATOM 0 HE ARG A 78 -15.369 -0.816 0.015 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -17.032 2.139 1.015 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.529 3.021 1.309 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.447 0.328 0.397 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.510 2.001 0.961 1.00 0.00 H new ATOM 1265 N HIS A 79 -17.809 -5.498 -0.286 1.00 0.00 N ATOM 1266 CA HIS A 79 -16.755 -6.445 0.052 1.00 0.00 C ATOM 1267 C HIS A 79 -15.383 -5.827 -0.190 1.00 0.00 C ATOM 1268 O HIS A 79 -14.860 -5.869 -1.304 1.00 0.00 O ATOM 1269 CB HIS A 79 -16.905 -7.726 -0.770 1.00 0.00 C ATOM 1270 CG HIS A 79 -18.176 -8.468 -0.498 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -18.367 -9.790 -0.841 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -19.329 -8.065 0.091 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -19.579 -10.168 -0.479 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -20.182 -9.140 0.090 1.00 0.00 N ATOM 0 H HIS A 79 -18.259 -5.668 -1.185 1.00 0.00 H new ATOM 0 HA HIS A 79 -16.845 -6.693 1.110 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -16.861 -7.475 -1.830 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -16.060 -8.382 -0.562 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -19.537 -7.082 0.487 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -20.005 -11.150 -0.623 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -21.129 -9.144 0.468 1.00 0.00 H new ATOM 1283 N ILE A 80 -14.808 -5.246 0.857 1.00 0.00 N ATOM 1284 CA ILE A 80 -13.505 -4.612 0.755 1.00 0.00 C ATOM 1285 C ILE A 80 -12.375 -5.621 0.953 1.00 0.00 C ATOM 1286 O ILE A 80 -12.386 -6.406 1.899 1.00 0.00 O ATOM 1287 CB ILE A 80 -13.368 -3.456 1.777 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -12.573 -2.310 1.160 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -12.719 -3.928 3.073 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -12.336 -1.152 2.106 1.00 0.00 C ATOM 0 H ILE A 80 -15.227 -5.203 1.786 1.00 0.00 H new ATOM 0 HA ILE A 80 -13.424 -4.201 -0.251 1.00 0.00 H new ATOM 0 HB ILE A 80 -14.368 -3.101 2.026 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -11.611 -2.691 0.818 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -13.102 -1.945 0.280 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -12.639 -3.090 3.766 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -13.329 -4.713 3.521 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -11.724 -4.319 2.860 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -11.765 -0.377 1.596 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -13.294 -0.744 2.429 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.779 -1.501 2.975 1.00 0.00 H new ATOM 1302 N THR A 81 -11.400 -5.586 0.053 1.00 0.00 N ATOM 1303 CA THR A 81 -10.259 -6.485 0.124 1.00 0.00 C ATOM 1304 C THR A 81 -8.965 -5.711 -0.100 1.00 0.00 C ATOM 1305 O THR A 81 -8.771 -5.115 -1.155 1.00 0.00 O ATOM 1306 CB THR A 81 -10.394 -7.593 -0.921 1.00 0.00 C ATOM 1307 OG1 THR A 81 -11.759 -7.871 -1.183 1.00 0.00 O ATOM 1308 CG2 THR A 81 -9.733 -8.889 -0.510 1.00 0.00 C ATOM 0 H THR A 81 -11.379 -4.941 -0.737 1.00 0.00 H new ATOM 0 HA THR A 81 -10.232 -6.937 1.115 1.00 0.00 H new ATOM 0 HB THR A 81 -9.889 -7.214 -1.810 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.825 -8.581 -1.855 1.00 0.00 H new ATOM 0 HG21 THR A 81 -9.867 -9.631 -1.297 1.00 0.00 H new ATOM 0 HG22 THR A 81 -8.668 -8.719 -0.349 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.186 -9.252 0.412 1.00 0.00 H new ATOM 1316 N LEU A 82 -8.087 -5.714 0.896 1.00 0.00 N ATOM 1317 CA LEU A 82 -6.822 -4.998 0.786 1.00 0.00 C ATOM 1318 C LEU A 82 -5.636 -5.915 1.084 1.00 0.00 C ATOM 1319 O LEU A 82 -5.501 -6.432 2.193 1.00 0.00 O ATOM 1320 CB LEU A 82 -6.816 -3.786 1.724 1.00 0.00 C ATOM 1321 CG LEU A 82 -6.500 -4.086 3.189 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -5.010 -3.934 3.448 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -7.299 -3.172 4.106 1.00 0.00 C ATOM 0 H LEU A 82 -8.226 -6.200 1.782 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.720 -4.648 -0.241 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.086 -3.066 1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -7.793 -3.305 1.673 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.785 -5.116 3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.799 -4.151 4.495 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.458 -4.629 2.815 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.703 -2.913 3.220 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.061 -3.400 5.145 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.045 -2.133 3.895 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.364 -3.327 3.936 1.00 0.00 H new ATOM 1335 N TRP A 83 -4.781 -6.113 0.084 1.00 0.00 N ATOM 1336 CA TRP A 83 -3.609 -6.968 0.237 1.00 0.00 C ATOM 1337 C TRP A 83 -2.346 -6.135 0.414 1.00 0.00 C ATOM 1338 O TRP A 83 -2.008 -5.315 -0.438 1.00 0.00 O ATOM 1339 CB TRP A 83 -3.451 -7.884 -0.978 1.00 0.00 C ATOM 1340 CG TRP A 83 -4.553 -8.885 -1.115 1.00 0.00 C ATOM 1341 CD1 TRP A 83 -5.867 -8.698 -0.804 1.00 0.00 C ATOM 1342 CD2 TRP A 83 -4.440 -10.230 -1.593 1.00 0.00 C ATOM 1343 NE1 TRP A 83 -6.580 -9.844 -1.061 1.00 0.00 N ATOM 1344 CE2 TRP A 83 -5.726 -10.799 -1.547 1.00 0.00 C ATOM 1345 CE3 TRP A 83 -3.376 -11.008 -2.060 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 -5.977 -12.108 -1.947 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 -3.625 -12.308 -2.456 1.00 0.00 C ATOM 1348 CH2 TRP A 83 -4.917 -12.848 -2.398 1.00 0.00 C ATOM 0 H TRP A 83 -4.878 -5.693 -0.840 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.756 -7.577 1.129 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.410 -7.274 -1.880 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -2.499 -8.410 -0.905 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.286 -7.783 -0.413 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -7.582 -9.964 -0.914 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -2.377 -10.600 -2.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -6.972 -12.525 -1.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -2.810 -12.918 -2.816 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -5.080 -13.867 -2.715 1.00 0.00 H new ATOM 1359 N PHE A 84 -1.645 -6.363 1.517 1.00 0.00 N ATOM 1360 CA PHE A 84 -0.408 -5.637 1.792 1.00 0.00 C ATOM 1361 C PHE A 84 0.799 -6.447 1.319 1.00 0.00 C ATOM 1362 O PHE A 84 1.125 -7.488 1.887 1.00 0.00 O ATOM 1363 CB PHE A 84 -0.288 -5.308 3.286 1.00 0.00 C ATOM 1364 CG PHE A 84 -0.927 -3.998 3.671 1.00 0.00 C ATOM 1365 CD1 PHE A 84 -1.963 -3.468 2.916 1.00 0.00 C ATOM 1366 CD2 PHE A 84 -0.493 -3.294 4.788 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -2.552 -2.269 3.264 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -1.082 -2.095 5.141 1.00 0.00 C ATOM 1369 CZ PHE A 84 -2.112 -1.581 4.377 1.00 0.00 C ATOM 0 H PHE A 84 -1.908 -7.040 2.233 1.00 0.00 H new ATOM 0 HA PHE A 84 -0.432 -4.697 1.241 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -0.748 -6.110 3.864 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.767 -5.282 3.560 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.313 -4.001 2.044 1.00 0.00 H new ATOM 0 HD2 PHE A 84 0.314 -3.689 5.387 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.357 -1.869 2.665 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.737 -1.560 6.014 1.00 0.00 H new ATOM 0 HZ PHE A 84 -2.572 -0.643 4.650 1.00 0.00 H new ATOM 1379 N TRP A 85 1.446 -5.970 0.257 1.00 0.00 N ATOM 1380 CA TRP A 85 2.600 -6.658 -0.313 1.00 0.00 C ATOM 1381 C TRP A 85 3.920 -6.102 0.214 1.00 0.00 C ATOM 1382 O TRP A 85 4.028 -4.918 0.533 1.00 0.00 O ATOM 1383 CB TRP A 85 2.563 -6.575 -1.839 1.00 0.00 C ATOM 1384 CG TRP A 85 1.469 -7.400 -2.442 1.00 0.00 C ATOM 1385 CD1 TRP A 85 0.132 -7.299 -2.190 1.00 0.00 C ATOM 1386 CD2 TRP A 85 1.618 -8.461 -3.394 1.00 0.00 C ATOM 1387 NE1 TRP A 85 -0.561 -8.229 -2.926 1.00 0.00 N ATOM 1388 CE2 TRP A 85 0.329 -8.954 -3.674 1.00 0.00 C ATOM 1389 CE3 TRP A 85 2.715 -9.039 -4.039 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 0.109 -9.998 -4.569 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 2.494 -10.076 -4.927 1.00 0.00 C ATOM 1392 CH2 TRP A 85 1.200 -10.546 -5.185 1.00 0.00 C ATOM 0 H TRP A 85 1.189 -5.109 -0.226 1.00 0.00 H new ATOM 0 HA TRP A 85 2.541 -7.702 -0.005 1.00 0.00 H new ATOM 0 HB2 TRP A 85 2.433 -5.535 -2.138 1.00 0.00 H new ATOM 0 HB3 TRP A 85 3.522 -6.905 -2.239 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -0.317 -6.590 -1.510 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.573 -8.359 -2.917 1.00 0.00 H new ATOM 0 HE3 TRP A 85 3.716 -8.683 -3.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -0.888 -10.362 -4.769 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 3.334 -10.531 -5.430 1.00 0.00 H new ATOM 0 HH2 TRP A 85 1.061 -11.357 -5.884 1.00 0.00 H new ATOM 1403 N LEU A 86 4.922 -6.977 0.308 1.00 0.00 N ATOM 1404 CA LEU A 86 6.241 -6.596 0.801 1.00 0.00 C ATOM 1405 C LEU A 86 7.173 -6.191 -0.342 1.00 0.00 C ATOM 1406 O LEU A 86 7.200 -6.824 -1.393 1.00 0.00 O ATOM 1407 CB LEU A 86 6.860 -7.748 1.593 1.00 0.00 C ATOM 1408 CG LEU A 86 8.271 -7.486 2.123 1.00 0.00 C ATOM 1409 CD1 LEU A 86 8.215 -6.695 3.421 1.00 0.00 C ATOM 1410 CD2 LEU A 86 9.015 -8.797 2.328 1.00 0.00 C ATOM 0 H LEU A 86 4.841 -7.960 0.047 1.00 0.00 H new ATOM 0 HA LEU A 86 6.114 -5.733 1.454 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.209 -7.980 2.436 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.886 -8.633 0.957 1.00 0.00 H new ATOM 0 HG LEU A 86 8.812 -6.895 1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.228 -6.518 3.783 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.721 -5.740 3.244 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.656 -7.260 4.167 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.017 -8.592 2.705 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.475 -9.413 3.047 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.087 -9.327 1.378 1.00 0.00 H new ATOM 1422 N VAL A 87 7.929 -5.125 -0.115 1.00 0.00 N ATOM 1423 CA VAL A 87 8.879 -4.602 -1.096 1.00 0.00 C ATOM 1424 C VAL A 87 10.262 -4.519 -0.505 1.00 0.00 C ATOM 1425 O VAL A 87 10.406 -4.263 0.691 1.00 0.00 O ATOM 1426 CB VAL A 87 8.493 -3.209 -1.559 1.00 0.00 C ATOM 1427 CG1 VAL A 87 9.408 -2.730 -2.675 1.00 0.00 C ATOM 1428 CG2 VAL A 87 7.037 -3.193 -1.989 1.00 0.00 C ATOM 0 H VAL A 87 7.903 -4.595 0.756 1.00 0.00 H new ATOM 0 HA VAL A 87 8.863 -5.289 -1.942 1.00 0.00 H new ATOM 0 HB VAL A 87 8.613 -2.516 -0.726 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.108 -1.730 -2.987 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.437 -2.705 -2.316 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.335 -3.411 -3.523 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.766 -2.190 -2.320 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.892 -3.897 -2.808 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.406 -3.480 -1.148 1.00 0.00 H new ATOM 1438 N GLU A 88 11.285 -4.751 -1.314 1.00 0.00 N ATOM 1439 CA GLU A 88 12.634 -4.699 -0.782 1.00 0.00 C ATOM 1440 C GLU A 88 13.478 -3.517 -1.291 1.00 0.00 C ATOM 1441 O GLU A 88 14.361 -3.050 -0.570 1.00 0.00 O ATOM 1442 CB GLU A 88 13.361 -6.016 -1.059 1.00 0.00 C ATOM 1443 CG GLU A 88 14.777 -6.060 -0.509 1.00 0.00 C ATOM 1444 CD GLU A 88 14.812 -6.153 1.004 1.00 0.00 C ATOM 1445 OE1 GLU A 88 14.667 -5.104 1.667 1.00 0.00 O ATOM 1446 OE2 GLU A 88 14.985 -7.274 1.527 1.00 0.00 O ATOM 0 H GLU A 88 11.211 -4.970 -2.308 1.00 0.00 H new ATOM 0 HA GLU A 88 12.519 -4.542 0.290 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.787 -6.835 -0.626 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.394 -6.183 -2.136 1.00 0.00 H new ATOM 0 HG2 GLU A 88 15.302 -6.916 -0.934 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.314 -5.167 -0.827 1.00 0.00 H new ATOM 1453 N ARG A 89 13.248 -3.040 -2.515 1.00 0.00 N ATOM 1454 CA ARG A 89 14.052 -1.933 -3.037 1.00 0.00 C ATOM 1455 C ARG A 89 13.391 -1.277 -4.246 1.00 0.00 C ATOM 1456 O ARG A 89 12.485 -1.847 -4.851 1.00 0.00 O ATOM 1457 CB ARG A 89 15.468 -2.446 -3.374 1.00 0.00 C ATOM 1458 CG ARG A 89 16.005 -2.057 -4.750 1.00 0.00 C ATOM 1459 CD ARG A 89 16.724 -0.717 -4.716 1.00 0.00 C ATOM 1460 NE ARG A 89 18.072 -0.804 -5.274 1.00 0.00 N ATOM 1461 CZ ARG A 89 19.122 -1.277 -4.607 1.00 0.00 C ATOM 1462 NH1 ARG A 89 18.986 -1.706 -3.357 1.00 0.00 N ATOM 1463 NH2 ARG A 89 20.312 -1.321 -5.189 1.00 0.00 N ATOM 0 H ARG A 89 12.531 -3.391 -3.150 1.00 0.00 H new ATOM 0 HA ARG A 89 14.128 -1.162 -2.271 1.00 0.00 H new ATOM 0 HB2 ARG A 89 16.158 -2.074 -2.617 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.468 -3.533 -3.299 1.00 0.00 H new ATOM 0 HG2 ARG A 89 16.689 -2.828 -5.105 1.00 0.00 H new ATOM 0 HG3 ARG A 89 15.181 -2.010 -5.462 1.00 0.00 H new ATOM 0 HD2 ARG A 89 16.147 0.018 -5.276 1.00 0.00 H new ATOM 0 HD3 ARG A 89 16.780 -0.362 -3.687 1.00 0.00 H new ATOM 0 HE ARG A 89 18.217 -0.483 -6.231 1.00 0.00 H new ATOM 0 HH11 ARG A 89 18.073 -1.674 -2.903 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.795 -2.067 -2.851 1.00 0.00 H new ATOM 0 HH21 ARG A 89 20.423 -0.992 -6.148 1.00 0.00 H new ATOM 0 HH22 ARG A 89 21.117 -1.684 -4.678 1.00 0.00 H new ATOM 1477 N TRP A 90 13.871 -0.087 -4.609 1.00 0.00 N ATOM 1478 CA TRP A 90 13.341 0.623 -5.767 1.00 0.00 C ATOM 1479 C TRP A 90 14.418 1.463 -6.451 1.00 0.00 C ATOM 1480 O TRP A 90 15.134 2.222 -5.798 1.00 0.00 O ATOM 1481 CB TRP A 90 12.134 1.486 -5.378 1.00 0.00 C ATOM 1482 CG TRP A 90 12.477 2.770 -4.691 1.00 0.00 C ATOM 1483 CD1 TRP A 90 13.083 3.861 -5.242 1.00 0.00 C ATOM 1484 CD2 TRP A 90 12.207 3.103 -3.328 1.00 0.00 C ATOM 1485 NE1 TRP A 90 13.211 4.853 -4.301 1.00 0.00 N ATOM 1486 CE2 TRP A 90 12.679 4.412 -3.118 1.00 0.00 C ATOM 1487 CE3 TRP A 90 11.612 2.420 -2.264 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 12.573 5.051 -1.888 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 11.507 3.058 -1.042 1.00 0.00 C ATOM 1490 CH2 TRP A 90 11.984 4.362 -0.864 1.00 0.00 C ATOM 0 H TRP A 90 14.621 0.401 -4.119 1.00 0.00 H new ATOM 0 HA TRP A 90 13.004 -0.125 -6.485 1.00 0.00 H new ATOM 0 HB2 TRP A 90 11.562 1.713 -6.278 1.00 0.00 H new ATOM 0 HB3 TRP A 90 11.484 0.903 -4.726 1.00 0.00 H new ATOM 0 HD1 TRP A 90 13.414 3.934 -6.268 1.00 0.00 H new ATOM 0 HE1 TRP A 90 13.633 5.768 -4.457 1.00 0.00 H new ATOM 0 HE3 TRP A 90 11.242 1.414 -2.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 12.943 6.056 -1.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 11.049 2.542 -0.211 1.00 0.00 H new ATOM 0 HH2 TRP A 90 11.885 4.834 0.102 1.00 0.00 H new ATOM 1501 N GLU A 91 14.532 1.315 -7.774 1.00 0.00 N ATOM 1502 CA GLU A 91 15.525 2.058 -8.539 1.00 0.00 C ATOM 1503 C GLU A 91 15.070 3.495 -8.772 1.00 0.00 C ATOM 1504 O GLU A 91 13.880 3.759 -8.945 1.00 0.00 O ATOM 1505 CB GLU A 91 15.786 1.370 -9.881 1.00 0.00 C ATOM 1506 CG GLU A 91 16.621 0.106 -9.763 1.00 0.00 C ATOM 1507 CD GLU A 91 17.642 -0.024 -10.877 1.00 0.00 C ATOM 1508 OE1 GLU A 91 17.303 0.303 -12.033 1.00 0.00 O ATOM 1509 OE2 GLU A 91 18.780 -0.452 -10.592 1.00 0.00 O ATOM 0 H GLU A 91 13.950 0.690 -8.331 1.00 0.00 H new ATOM 0 HA GLU A 91 16.450 2.078 -7.962 1.00 0.00 H new ATOM 0 HB2 GLU A 91 14.831 1.123 -10.345 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.292 2.069 -10.546 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.135 0.103 -8.802 1.00 0.00 H new ATOM 0 HG3 GLU A 91 15.963 -0.763 -9.775 1.00 0.00 H new ATOM 1516 N GLY A 92 16.024 4.421 -8.774 1.00 0.00 N ATOM 1517 CA GLY A 92 15.700 5.820 -8.987 1.00 0.00 C ATOM 1518 C GLY A 92 14.716 6.347 -7.962 1.00 0.00 C ATOM 1519 O GLY A 92 15.016 6.396 -6.769 1.00 0.00 O ATOM 0 H GLY A 92 17.015 4.228 -8.632 1.00 0.00 H new ATOM 0 HA2 GLY A 92 16.614 6.412 -8.947 1.00 0.00 H new ATOM 0 HA3 GLY A 92 15.282 5.946 -9.986 1.00 0.00 H new ATOM 1523 N GLU A 93 13.535 6.742 -8.427 1.00 0.00 N ATOM 1524 CA GLU A 93 12.502 7.267 -7.542 1.00 0.00 C ATOM 1525 C GLU A 93 11.140 6.659 -7.875 1.00 0.00 C ATOM 1526 O GLU A 93 10.797 6.501 -9.046 1.00 0.00 O ATOM 1527 CB GLU A 93 12.433 8.792 -7.652 1.00 0.00 C ATOM 1528 CG GLU A 93 13.492 9.510 -6.832 1.00 0.00 C ATOM 1529 CD GLU A 93 13.000 10.831 -6.274 1.00 0.00 C ATOM 1530 OE1 GLU A 93 12.652 11.722 -7.078 1.00 0.00 O ATOM 1531 OE2 GLU A 93 12.966 10.976 -5.034 1.00 0.00 O ATOM 0 H GLU A 93 13.270 6.708 -9.411 1.00 0.00 H new ATOM 0 HA GLU A 93 12.762 6.995 -6.519 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.540 9.078 -8.698 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.447 9.127 -7.330 1.00 0.00 H new ATOM 0 HG2 GLU A 93 13.807 8.867 -6.010 1.00 0.00 H new ATOM 0 HG3 GLU A 93 14.370 9.687 -7.454 1.00 0.00 H new ATOM 1538 N PRO A 94 10.338 6.316 -6.850 1.00 0.00 N ATOM 1539 CA PRO A 94 9.010 5.735 -7.043 1.00 0.00 C ATOM 1540 C PRO A 94 7.995 6.788 -7.456 1.00 0.00 C ATOM 1541 O PRO A 94 7.871 7.826 -6.807 1.00 0.00 O ATOM 1542 CB PRO A 94 8.652 5.159 -5.660 1.00 0.00 C ATOM 1543 CG PRO A 94 9.875 5.337 -4.816 1.00 0.00 C ATOM 1544 CD PRO A 94 10.636 6.476 -5.426 1.00 0.00 C ATOM 0 HA PRO A 94 9.002 4.986 -7.835 1.00 0.00 H new ATOM 0 HB2 PRO A 94 7.799 5.682 -5.228 1.00 0.00 H new ATOM 0 HB3 PRO A 94 8.377 4.107 -5.734 1.00 0.00 H new ATOM 0 HG2 PRO A 94 9.607 5.556 -3.782 1.00 0.00 H new ATOM 0 HG3 PRO A 94 10.476 4.428 -4.804 1.00 0.00 H new ATOM 0 HD2 PRO A 94 10.301 7.441 -5.045 1.00 0.00 H new ATOM 0 HD3 PRO A 94 11.705 6.407 -5.223 1.00 0.00 H new ATOM 1552 N TRP A 95 7.268 6.525 -8.535 1.00 0.00 N ATOM 1553 CA TRP A 95 6.270 7.473 -9.003 1.00 0.00 C ATOM 1554 C TRP A 95 4.943 6.796 -9.304 1.00 0.00 C ATOM 1555 O TRP A 95 3.919 7.124 -8.705 1.00 0.00 O ATOM 1556 CB TRP A 95 6.758 8.226 -10.245 1.00 0.00 C ATOM 1557 CG TRP A 95 7.311 7.361 -11.351 1.00 0.00 C ATOM 1558 CD1 TRP A 95 8.608 6.980 -11.512 1.00 0.00 C ATOM 1559 CD2 TRP A 95 6.592 6.796 -12.462 1.00 0.00 C ATOM 1560 NE1 TRP A 95 8.751 6.233 -12.661 1.00 0.00 N ATOM 1561 CE2 TRP A 95 7.529 6.109 -13.260 1.00 0.00 C ATOM 1562 CE3 TRP A 95 5.252 6.806 -12.861 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 7.169 5.450 -14.434 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 4.896 6.147 -14.023 1.00 0.00 C ATOM 1565 CH2 TRP A 95 5.852 5.481 -14.800 1.00 0.00 C ATOM 0 H TRP A 95 7.350 5.676 -9.094 1.00 0.00 H new ATOM 0 HA TRP A 95 6.115 8.187 -8.194 1.00 0.00 H new ATOM 0 HB2 TRP A 95 5.929 8.810 -10.644 1.00 0.00 H new ATOM 0 HB3 TRP A 95 7.529 8.934 -9.940 1.00 0.00 H new ATOM 0 HD1 TRP A 95 9.412 7.228 -10.835 1.00 0.00 H new ATOM 0 HE1 TRP A 95 9.625 5.838 -13.007 1.00 0.00 H new ATOM 0 HE3 TRP A 95 4.507 7.320 -12.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.904 4.933 -15.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.863 6.146 -14.337 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.543 4.982 -15.706 1.00 0.00 H new ATOM 1576 N GLY A 96 4.970 5.854 -10.236 1.00 0.00 N ATOM 1577 CA GLY A 96 3.760 5.144 -10.615 1.00 0.00 C ATOM 1578 C GLY A 96 2.547 6.052 -10.745 1.00 0.00 C ATOM 1579 O GLY A 96 2.441 6.827 -11.695 1.00 0.00 O ATOM 0 H GLY A 96 5.809 5.566 -10.739 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.928 4.635 -11.564 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.551 4.374 -9.873 1.00 0.00 H new ATOM 1583 N LYS A 97 1.634 5.951 -9.781 1.00 0.00 N ATOM 1584 CA LYS A 97 0.419 6.761 -9.777 1.00 0.00 C ATOM 1585 C LYS A 97 -0.465 6.404 -8.583 1.00 0.00 C ATOM 1586 O LYS A 97 -1.515 5.779 -8.741 1.00 0.00 O ATOM 1587 CB LYS A 97 -0.365 6.563 -11.078 1.00 0.00 C ATOM 1588 CG LYS A 97 -1.236 7.751 -11.450 1.00 0.00 C ATOM 1589 CD LYS A 97 -0.483 8.743 -12.322 1.00 0.00 C ATOM 1590 CE LYS A 97 -0.996 10.161 -12.123 1.00 0.00 C ATOM 1591 NZ LYS A 97 -1.097 10.901 -13.412 1.00 0.00 N ATOM 0 H LYS A 97 1.714 5.313 -8.989 1.00 0.00 H new ATOM 0 HA LYS A 97 0.714 7.807 -9.696 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.337 6.369 -11.889 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.994 5.678 -10.982 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.123 7.402 -11.978 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.580 8.249 -10.544 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.580 8.703 -12.086 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.587 8.461 -13.370 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.975 10.129 -11.645 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.329 10.697 -11.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.450 11.863 -13.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.158 10.954 -13.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.753 10.404 -14.047 1.00 0.00 H new ATOM 1605 N GLU A 98 -0.035 6.803 -7.391 1.00 0.00 N ATOM 1606 CA GLU A 98 -0.791 6.521 -6.172 1.00 0.00 C ATOM 1607 C GLU A 98 -1.785 7.641 -5.876 1.00 0.00 C ATOM 1608 O GLU A 98 -2.849 7.403 -5.305 1.00 0.00 O ATOM 1609 CB GLU A 98 0.152 6.325 -4.978 1.00 0.00 C ATOM 1610 CG GLU A 98 1.494 7.028 -5.120 1.00 0.00 C ATOM 1611 CD GLU A 98 1.357 8.533 -5.242 1.00 0.00 C ATOM 1612 OE1 GLU A 98 1.150 9.021 -6.372 1.00 0.00 O ATOM 1613 OE2 GLU A 98 1.458 9.224 -4.206 1.00 0.00 O ATOM 0 H GLU A 98 0.830 7.321 -7.241 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.347 5.597 -6.332 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.342 6.688 -4.076 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.327 5.258 -4.839 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.116 6.793 -4.256 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.010 6.642 -5.999 1.00 0.00 H new ATOM 1620 N GLY A 99 -1.435 8.862 -6.272 1.00 0.00 N ATOM 1621 CA GLY A 99 -2.316 9.994 -6.043 1.00 0.00 C ATOM 1622 C GLY A 99 -1.688 11.063 -5.168 1.00 0.00 C ATOM 1623 O GLY A 99 -1.438 12.178 -5.625 1.00 0.00 O ATOM 0 H GLY A 99 -0.560 9.087 -6.746 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -2.593 10.433 -7.002 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.236 9.643 -5.576 1.00 0.00 H new ATOM 1627 N GLN A 100 -1.443 10.727 -3.905 1.00 0.00 N ATOM 1628 CA GLN A 100 -0.850 11.671 -2.962 1.00 0.00 C ATOM 1629 C GLN A 100 0.637 11.404 -2.770 1.00 0.00 C ATOM 1630 O GLN A 100 1.028 10.457 -2.089 1.00 0.00 O ATOM 1631 CB GLN A 100 -1.571 11.598 -1.616 1.00 0.00 C ATOM 1632 CG GLN A 100 -3.066 11.858 -1.711 1.00 0.00 C ATOM 1633 CD GLN A 100 -3.883 10.582 -1.670 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -4.285 10.123 -0.601 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -4.134 10.002 -2.837 1.00 0.00 N ATOM 0 H GLN A 100 -1.646 9.808 -3.511 1.00 0.00 H new ATOM 0 HA GLN A 100 -0.964 12.672 -3.377 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -1.409 10.612 -1.180 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -1.127 12.325 -0.936 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -3.371 12.507 -0.890 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -3.280 12.393 -2.636 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.781 10.417 -3.699 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.680 9.141 -2.872 1.00 0.00 H new ATOM 1644 N PRO A 101 1.488 12.252 -3.366 1.00 0.00 N ATOM 1645 CA PRO A 101 2.943 12.124 -3.261 1.00 0.00 C ATOM 1646 C PRO A 101 3.407 11.811 -1.841 1.00 0.00 C ATOM 1647 O PRO A 101 2.822 12.288 -0.867 1.00 0.00 O ATOM 1648 CB PRO A 101 3.418 13.511 -3.678 1.00 0.00 C ATOM 1649 CG PRO A 101 2.416 13.953 -4.681 1.00 0.00 C ATOM 1650 CD PRO A 101 1.100 13.415 -4.195 1.00 0.00 C ATOM 0 HA PRO A 101 3.334 11.305 -3.866 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.457 14.191 -2.827 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.420 13.477 -4.105 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.391 15.040 -4.759 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.656 13.568 -5.672 1.00 0.00 H new ATOM 0 HD2 PRO A 101 0.553 14.157 -3.614 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.456 13.120 -5.024 1.00 0.00 H new ATOM 1658 N GLY A 102 4.461 11.009 -1.730 1.00 0.00 N ATOM 1659 CA GLY A 102 4.986 10.648 -0.426 1.00 0.00 C ATOM 1660 C GLY A 102 6.499 10.764 -0.359 1.00 0.00 C ATOM 1661 O GLY A 102 7.146 11.080 -1.357 1.00 0.00 O ATOM 0 H GLY A 102 4.961 10.602 -2.520 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.541 11.292 0.333 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.692 9.626 -0.189 1.00 0.00 H new ATOM 1665 N GLU A 103 7.062 10.509 0.818 1.00 0.00 N ATOM 1666 CA GLU A 103 8.508 10.589 1.007 1.00 0.00 C ATOM 1667 C GLU A 103 9.029 9.363 1.753 1.00 0.00 C ATOM 1668 O GLU A 103 8.296 8.735 2.517 1.00 0.00 O ATOM 1669 CB GLU A 103 8.874 11.860 1.775 1.00 0.00 C ATOM 1670 CG GLU A 103 10.282 12.357 1.493 1.00 0.00 C ATOM 1671 CD GLU A 103 10.545 13.728 2.086 1.00 0.00 C ATOM 1672 OE1 GLU A 103 10.567 13.843 3.329 1.00 0.00 O ATOM 1673 OE2 GLU A 103 10.729 14.687 1.307 1.00 0.00 O ATOM 0 H GLU A 103 6.541 10.246 1.654 1.00 0.00 H new ATOM 0 HA GLU A 103 8.976 10.620 0.023 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.163 12.646 1.521 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.772 11.671 2.844 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.002 11.646 1.897 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.441 12.394 0.415 1.00 0.00 H new ATOM 1680 N TRP A 104 10.298 9.027 1.530 1.00 0.00 N ATOM 1681 CA TRP A 104 10.905 7.873 2.189 1.00 0.00 C ATOM 1682 C TRP A 104 10.933 8.079 3.701 1.00 0.00 C ATOM 1683 O TRP A 104 11.714 8.881 4.214 1.00 0.00 O ATOM 1684 CB TRP A 104 12.330 7.631 1.663 1.00 0.00 C ATOM 1685 CG TRP A 104 12.505 7.974 0.214 1.00 0.00 C ATOM 1686 CD1 TRP A 104 11.563 7.881 -0.770 1.00 0.00 C ATOM 1687 CD2 TRP A 104 13.695 8.465 -0.414 1.00 0.00 C ATOM 1688 NE1 TRP A 104 12.095 8.284 -1.971 1.00 0.00 N ATOM 1689 CE2 TRP A 104 13.402 8.648 -1.779 1.00 0.00 C ATOM 1690 CE3 TRP A 104 14.980 8.769 0.045 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 14.346 9.120 -2.687 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 15.917 9.238 -0.858 1.00 0.00 C ATOM 1693 CH2 TRP A 104 15.595 9.411 -2.209 1.00 0.00 C ATOM 0 H TRP A 104 10.922 9.534 0.902 1.00 0.00 H new ATOM 0 HA TRP A 104 10.300 6.995 1.963 1.00 0.00 H new ATOM 0 HB2 TRP A 104 13.031 8.221 2.254 1.00 0.00 H new ATOM 0 HB3 TRP A 104 12.590 6.583 1.813 1.00 0.00 H new ATOM 0 HD1 TRP A 104 10.548 7.541 -0.625 1.00 0.00 H new ATOM 0 HE1 TRP A 104 11.598 8.308 -2.861 1.00 0.00 H new ATOM 0 HE3 TRP A 104 15.237 8.640 1.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 14.102 9.252 -3.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 16.913 9.475 -0.515 1.00 0.00 H new ATOM 0 HH2 TRP A 104 16.348 9.782 -2.889 1.00 0.00 H new ATOM 1704 N MET A 105 10.072 7.352 4.409 1.00 0.00 N ATOM 1705 CA MET A 105 9.993 7.457 5.863 1.00 0.00 C ATOM 1706 C MET A 105 10.303 6.120 6.527 1.00 0.00 C ATOM 1707 O MET A 105 9.885 5.067 6.047 1.00 0.00 O ATOM 1708 CB MET A 105 8.605 7.941 6.285 1.00 0.00 C ATOM 1709 CG MET A 105 7.486 6.985 5.908 1.00 0.00 C ATOM 1710 SD MET A 105 5.887 7.493 6.570 1.00 0.00 S ATOM 1711 CE MET A 105 6.091 7.080 8.301 1.00 0.00 C ATOM 0 H MET A 105 9.419 6.684 3.999 1.00 0.00 H new ATOM 0 HA MET A 105 10.739 8.182 6.189 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.595 8.091 7.365 1.00 0.00 H new ATOM 0 HB3 MET A 105 8.413 8.911 5.826 1.00 0.00 H new ATOM 0 HG2 MET A 105 7.421 6.918 4.822 1.00 0.00 H new ATOM 0 HG3 MET A 105 7.727 5.987 6.275 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.120 7.099 8.796 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.524 6.084 8.389 1.00 0.00 H new ATOM 0 HE3 MET A 105 6.753 7.806 8.773 1.00 0.00 H new ATOM 1721 N SER A 106 11.032 6.168 7.637 1.00 0.00 N ATOM 1722 CA SER A 106 11.392 4.958 8.367 1.00 0.00 C ATOM 1723 C SER A 106 10.151 4.250 8.902 1.00 0.00 C ATOM 1724 O SER A 106 9.443 4.782 9.758 1.00 0.00 O ATOM 1725 CB SER A 106 12.337 5.298 9.522 1.00 0.00 C ATOM 1726 OG SER A 106 11.706 6.150 10.462 1.00 0.00 O ATOM 0 H SER A 106 11.385 7.031 8.050 1.00 0.00 H new ATOM 0 HA SER A 106 11.899 4.285 7.675 1.00 0.00 H new ATOM 0 HB2 SER A 106 12.658 4.381 10.016 1.00 0.00 H new ATOM 0 HB3 SER A 106 13.233 5.781 9.133 1.00 0.00 H new ATOM 0 HG SER A 106 10.756 5.920 10.526 1.00 0.00 H new ATOM 1732 N LEU A 107 9.894 3.048 8.395 1.00 0.00 N ATOM 1733 CA LEU A 107 8.740 2.267 8.826 1.00 0.00 C ATOM 1734 C LEU A 107 8.859 1.878 10.298 1.00 0.00 C ATOM 1735 O LEU A 107 7.867 1.530 10.940 1.00 0.00 O ATOM 1736 CB LEU A 107 8.590 1.011 7.967 1.00 0.00 C ATOM 1737 CG LEU A 107 7.172 0.440 7.904 1.00 0.00 C ATOM 1738 CD1 LEU A 107 6.232 1.422 7.221 1.00 0.00 C ATOM 1739 CD2 LEU A 107 7.167 -0.898 7.182 1.00 0.00 C ATOM 0 H LEU A 107 10.469 2.594 7.686 1.00 0.00 H new ATOM 0 HA LEU A 107 7.853 2.889 8.703 1.00 0.00 H new ATOM 0 HB2 LEU A 107 8.919 1.240 6.953 1.00 0.00 H new ATOM 0 HB3 LEU A 107 9.259 0.242 8.353 1.00 0.00 H new ATOM 0 HG LEU A 107 6.819 0.280 8.923 1.00 0.00 H new ATOM 0 HD11 LEU A 107 5.228 0.999 7.185 1.00 0.00 H new ATOM 0 HD12 LEU A 107 6.212 2.357 7.781 1.00 0.00 H new ATOM 0 HD13 LEU A 107 6.581 1.614 6.207 1.00 0.00 H new ATOM 0 HD21 LEU A 107 6.150 -1.289 7.147 1.00 0.00 H new ATOM 0 HD22 LEU A 107 7.540 -0.765 6.166 1.00 0.00 H new ATOM 0 HD23 LEU A 107 7.808 -1.601 7.714 1.00 0.00 H new ATOM 1751 N VAL A 108 10.078 1.942 10.829 1.00 0.00 N ATOM 1752 CA VAL A 108 10.329 1.601 12.226 1.00 0.00 C ATOM 1753 C VAL A 108 9.455 2.426 13.173 1.00 0.00 C ATOM 1754 O VAL A 108 9.323 2.097 14.351 1.00 0.00 O ATOM 1755 CB VAL A 108 11.809 1.816 12.595 1.00 0.00 C ATOM 1756 CG1 VAL A 108 12.113 1.235 13.968 1.00 0.00 C ATOM 1757 CG2 VAL A 108 12.718 1.205 11.538 1.00 0.00 C ATOM 0 H VAL A 108 10.909 2.228 10.311 1.00 0.00 H new ATOM 0 HA VAL A 108 10.077 0.547 12.340 1.00 0.00 H new ATOM 0 HB VAL A 108 11.999 2.889 12.632 1.00 0.00 H new ATOM 0 HG11 VAL A 108 13.164 1.398 14.208 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.490 1.725 14.716 1.00 0.00 H new ATOM 0 HG13 VAL A 108 11.904 0.165 13.965 1.00 0.00 H new ATOM 0 HG21 VAL A 108 13.759 1.367 11.816 1.00 0.00 H new ATOM 0 HG22 VAL A 108 12.524 0.135 11.466 1.00 0.00 H new ATOM 0 HG23 VAL A 108 12.522 1.675 10.574 1.00 0.00 H new ATOM 1767 N GLY A 109 8.862 3.500 12.656 1.00 0.00 N ATOM 1768 CA GLY A 109 8.015 4.343 13.474 1.00 0.00 C ATOM 1769 C GLY A 109 6.587 4.383 12.974 1.00 0.00 C ATOM 1770 O GLY A 109 5.957 5.440 12.946 1.00 0.00 O ATOM 0 H GLY A 109 8.955 3.799 11.685 1.00 0.00 H new ATOM 0 HA2 GLY A 109 8.028 3.979 14.501 1.00 0.00 H new ATOM 0 HA3 GLY A 109 8.420 5.355 13.490 1.00 0.00 H new ATOM 1774 N LEU A 110 6.073 3.222 12.583 1.00 0.00 N ATOM 1775 CA LEU A 110 4.706 3.116 12.084 1.00 0.00 C ATOM 1776 C LEU A 110 3.716 3.518 13.172 1.00 0.00 C ATOM 1777 O LEU A 110 3.786 3.021 14.296 1.00 0.00 O ATOM 1778 CB LEU A 110 4.425 1.679 11.631 1.00 0.00 C ATOM 1779 CG LEU A 110 3.333 1.511 10.566 1.00 0.00 C ATOM 1780 CD1 LEU A 110 2.284 2.609 10.671 1.00 0.00 C ATOM 1781 CD2 LEU A 110 3.950 1.492 9.178 1.00 0.00 C ATOM 0 H LEU A 110 6.583 2.339 12.602 1.00 0.00 H new ATOM 0 HA LEU A 110 4.589 3.788 11.234 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.351 1.254 11.244 1.00 0.00 H new ATOM 0 HB3 LEU A 110 4.145 1.092 12.506 1.00 0.00 H new ATOM 0 HG LEU A 110 2.834 0.558 10.742 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.525 2.461 9.903 1.00 0.00 H new ATOM 0 HD12 LEU A 110 1.817 2.573 11.655 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.758 3.580 10.530 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.164 1.372 8.432 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.478 2.429 9.002 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.651 0.661 9.103 1.00 0.00 H new ATOM 1793 N ASN A 111 2.804 4.430 12.843 1.00 0.00 N ATOM 1794 CA ASN A 111 1.824 4.897 13.813 1.00 0.00 C ATOM 1795 C ASN A 111 0.394 4.614 13.370 1.00 0.00 C ATOM 1796 O ASN A 111 -0.006 4.951 12.256 1.00 0.00 O ATOM 1797 CB ASN A 111 2.007 6.393 14.069 1.00 0.00 C ATOM 1798 CG ASN A 111 2.402 6.693 15.502 1.00 0.00 C ATOM 1799 OD1 ASN A 111 2.225 5.861 16.393 1.00 0.00 O ATOM 1800 ND2 ASN A 111 2.940 7.884 15.731 1.00 0.00 N ATOM 0 H ASN A 111 2.725 4.856 11.919 1.00 0.00 H new ATOM 0 HA ASN A 111 1.995 4.345 14.737 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.771 6.783 13.396 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.079 6.915 13.835 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.226 8.141 16.676 1.00 0.00 H new ATOM 0 HD22 ASN A 111 3.068 8.542 14.962 1.00 0.00 H new ATOM 1807 N ALA A 112 -0.372 4.007 14.270 1.00 0.00 N ATOM 1808 CA ALA A 112 -1.765 3.687 14.004 1.00 0.00 C ATOM 1809 C ALA A 112 -2.624 4.954 14.005 1.00 0.00 C ATOM 1810 O ALA A 112 -3.767 4.943 13.547 1.00 0.00 O ATOM 1811 CB ALA A 112 -2.290 2.686 15.024 1.00 0.00 C ATOM 0 H ALA A 112 -0.047 3.726 15.195 1.00 0.00 H new ATOM 0 HA ALA A 112 -1.825 3.234 13.014 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -3.334 2.460 14.808 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.702 1.770 14.971 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -2.211 3.111 16.025 1.00 0.00 H new ATOM 1817 N ASP A 113 -2.072 6.042 14.537 1.00 0.00 N ATOM 1818 CA ASP A 113 -2.790 7.312 14.606 1.00 0.00 C ATOM 1819 C ASP A 113 -2.788 8.033 13.258 1.00 0.00 C ATOM 1820 O ASP A 113 -3.834 8.483 12.787 1.00 0.00 O ATOM 1821 CB ASP A 113 -2.166 8.211 15.675 1.00 0.00 C ATOM 1822 CG ASP A 113 -3.097 9.329 16.104 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -4.294 9.052 16.326 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -2.628 10.480 16.218 1.00 0.00 O ATOM 0 H ASP A 113 -1.130 6.069 14.927 1.00 0.00 H new ATOM 0 HA ASP A 113 -3.825 7.094 14.870 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -1.902 7.608 16.544 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -1.240 8.640 15.291 1.00 0.00 H new ATOM 1829 N ASP A 114 -1.613 8.149 12.643 1.00 0.00 N ATOM 1830 CA ASP A 114 -1.488 8.830 11.354 1.00 0.00 C ATOM 1831 C ASP A 114 -2.158 8.032 10.240 1.00 0.00 C ATOM 1832 O ASP A 114 -2.647 8.603 9.266 1.00 0.00 O ATOM 1833 CB ASP A 114 -0.016 9.094 10.990 1.00 0.00 C ATOM 1834 CG ASP A 114 0.977 8.470 11.953 1.00 0.00 C ATOM 1835 OD1 ASP A 114 1.127 8.997 13.075 1.00 0.00 O ATOM 1836 OD2 ASP A 114 1.604 7.455 11.583 1.00 0.00 O ATOM 0 H ASP A 114 -0.736 7.782 13.014 1.00 0.00 H new ATOM 0 HA ASP A 114 -1.995 9.790 11.455 1.00 0.00 H new ATOM 0 HB2 ASP A 114 0.175 8.710 9.988 1.00 0.00 H new ATOM 0 HB3 ASP A 114 0.152 10.170 10.957 1.00 0.00 H new ATOM 1841 N PHE A 115 -2.180 6.713 10.388 1.00 0.00 N ATOM 1842 CA PHE A 115 -2.794 5.844 9.391 1.00 0.00 C ATOM 1843 C PHE A 115 -4.266 5.599 9.738 1.00 0.00 C ATOM 1844 O PHE A 115 -4.724 5.976 10.816 1.00 0.00 O ATOM 1845 CB PHE A 115 -2.015 4.517 9.305 1.00 0.00 C ATOM 1846 CG PHE A 115 -2.712 3.346 9.936 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -3.192 3.440 11.224 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -2.884 2.160 9.245 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -3.833 2.377 11.823 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -3.526 1.090 9.836 1.00 0.00 C ATOM 1851 CZ PHE A 115 -4.000 1.200 11.128 1.00 0.00 C ATOM 0 H PHE A 115 -1.780 6.222 11.188 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.755 6.329 8.416 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -1.825 4.289 8.256 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -1.045 4.648 9.784 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -3.064 4.361 11.773 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -2.513 2.070 8.235 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -4.203 2.467 12.834 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.657 0.168 9.288 1.00 0.00 H new ATOM 0 HZ PHE A 115 -4.501 0.364 11.593 1.00 0.00 H new ATOM 1861 N PRO A 116 -5.030 4.954 8.836 1.00 0.00 N ATOM 1862 CA PRO A 116 -6.446 4.662 9.080 1.00 0.00 C ATOM 1863 C PRO A 116 -6.625 3.580 10.145 1.00 0.00 C ATOM 1864 O PRO A 116 -6.033 2.507 10.048 1.00 0.00 O ATOM 1865 CB PRO A 116 -6.944 4.165 7.721 1.00 0.00 C ATOM 1866 CG PRO A 116 -5.732 3.615 7.051 1.00 0.00 C ATOM 1867 CD PRO A 116 -4.577 4.456 7.523 1.00 0.00 C ATOM 0 HA PRO A 116 -6.991 5.530 9.452 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -7.713 3.401 7.836 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -7.384 4.976 7.140 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -5.584 2.567 7.312 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -5.831 3.662 5.967 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -3.662 3.870 7.610 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -4.367 5.274 6.834 1.00 0.00 H new ATOM 1875 N PRO A 117 -7.442 3.845 11.182 1.00 0.00 N ATOM 1876 CA PRO A 117 -7.681 2.882 12.269 1.00 0.00 C ATOM 1877 C PRO A 117 -8.363 1.601 11.795 1.00 0.00 C ATOM 1878 O PRO A 117 -8.390 0.601 12.512 1.00 0.00 O ATOM 1879 CB PRO A 117 -8.595 3.645 13.234 1.00 0.00 C ATOM 1880 CG PRO A 117 -9.219 4.718 12.409 1.00 0.00 C ATOM 1881 CD PRO A 117 -8.189 5.098 11.386 1.00 0.00 C ATOM 0 HA PRO A 117 -6.744 2.549 12.715 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -9.351 2.988 13.664 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -8.028 4.065 14.065 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -10.132 4.363 11.931 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -9.494 5.575 13.024 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -8.649 5.448 10.462 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -7.542 5.899 11.744 1.00 0.00 H new ATOM 1889 N ALA A 118 -8.918 1.636 10.589 1.00 0.00 N ATOM 1890 CA ALA A 118 -9.604 0.477 10.028 1.00 0.00 C ATOM 1891 C ALA A 118 -8.630 -0.612 9.592 1.00 0.00 C ATOM 1892 O ALA A 118 -9.042 -1.715 9.234 1.00 0.00 O ATOM 1893 CB ALA A 118 -10.481 0.900 8.860 1.00 0.00 C ATOM 0 H ALA A 118 -8.907 2.454 9.980 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.230 0.056 10.815 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -10.987 0.026 8.450 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -11.223 1.621 9.204 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -9.863 1.357 8.087 1.00 0.00 H new ATOM 1899 N ASN A 119 -7.343 -0.293 9.598 1.00 0.00 N ATOM 1900 CA ASN A 119 -6.323 -1.243 9.176 1.00 0.00 C ATOM 1901 C ASN A 119 -5.330 -1.543 10.300 1.00 0.00 C ATOM 1902 O ASN A 119 -4.155 -1.809 10.046 1.00 0.00 O ATOM 1903 CB ASN A 119 -5.597 -0.670 7.965 1.00 0.00 C ATOM 1904 CG ASN A 119 -6.171 -1.177 6.657 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -5.454 -1.724 5.819 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -7.472 -0.986 6.471 1.00 0.00 N ATOM 0 H ASN A 119 -6.981 0.615 9.890 1.00 0.00 H new ATOM 0 HA ASN A 119 -6.805 -2.186 8.916 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -5.658 0.418 7.989 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -4.540 -0.931 8.021 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -7.915 -1.297 5.606 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -8.029 -0.528 7.193 1.00 0.00 H new ATOM 1913 N GLU A 120 -5.804 -1.493 11.541 1.00 0.00 N ATOM 1914 CA GLU A 120 -4.958 -1.749 12.700 1.00 0.00 C ATOM 1915 C GLU A 120 -4.548 -3.223 12.810 1.00 0.00 C ATOM 1916 O GLU A 120 -3.429 -3.521 13.214 1.00 0.00 O ATOM 1917 CB GLU A 120 -5.669 -1.274 13.974 1.00 0.00 C ATOM 1918 CG GLU A 120 -6.049 -2.384 14.948 1.00 0.00 C ATOM 1919 CD GLU A 120 -7.064 -1.932 15.980 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -7.138 -0.714 16.245 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -7.783 -2.795 16.523 1.00 0.00 O ATOM 0 H GLU A 120 -6.774 -1.276 11.770 1.00 0.00 H new ATOM 0 HA GLU A 120 -4.035 -1.183 12.573 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -5.023 -0.563 14.490 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -6.573 -0.735 13.689 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -6.454 -3.228 14.391 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -5.153 -2.739 15.457 1.00 0.00 H new ATOM 1928 N PRO A 121 -5.438 -4.170 12.472 1.00 0.00 N ATOM 1929 CA PRO A 121 -5.126 -5.603 12.564 1.00 0.00 C ATOM 1930 C PRO A 121 -3.824 -5.980 11.855 1.00 0.00 C ATOM 1931 O PRO A 121 -3.024 -6.753 12.382 1.00 0.00 O ATOM 1932 CB PRO A 121 -6.319 -6.271 11.877 1.00 0.00 C ATOM 1933 CG PRO A 121 -7.438 -5.301 12.038 1.00 0.00 C ATOM 1934 CD PRO A 121 -6.812 -3.935 11.990 1.00 0.00 C ATOM 0 HA PRO A 121 -4.977 -5.913 13.598 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -6.112 -6.466 10.825 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -6.556 -7.230 12.338 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -8.175 -5.420 11.244 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -7.958 -5.459 12.983 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.819 -3.526 10.980 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -7.345 -3.227 12.625 1.00 0.00 H new ATOM 1942 N VAL A 122 -3.620 -5.437 10.660 1.00 0.00 N ATOM 1943 CA VAL A 122 -2.419 -5.727 9.881 1.00 0.00 C ATOM 1944 C VAL A 122 -1.218 -4.953 10.405 1.00 0.00 C ATOM 1945 O VAL A 122 -0.156 -5.524 10.654 1.00 0.00 O ATOM 1946 CB VAL A 122 -2.608 -5.380 8.391 1.00 0.00 C ATOM 1947 CG1 VAL A 122 -1.606 -6.138 7.535 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -4.031 -5.671 7.938 1.00 0.00 C ATOM 0 H VAL A 122 -4.270 -4.793 10.208 1.00 0.00 H new ATOM 0 HA VAL A 122 -2.240 -6.797 9.983 1.00 0.00 H new ATOM 0 HB VAL A 122 -2.429 -4.312 8.267 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -1.755 -5.880 6.486 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -0.593 -5.868 7.835 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.750 -7.210 7.669 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.136 -5.417 6.883 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.249 -6.730 8.080 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -4.729 -5.075 8.526 1.00 0.00 H new ATOM 1958 N ILE A 123 -1.392 -3.647 10.558 1.00 0.00 N ATOM 1959 CA ILE A 123 -0.324 -2.784 11.037 1.00 0.00 C ATOM 1960 C ILE A 123 0.039 -3.101 12.484 1.00 0.00 C ATOM 1961 O ILE A 123 1.191 -2.964 12.881 1.00 0.00 O ATOM 1962 CB ILE A 123 -0.714 -1.297 10.911 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -0.829 -0.914 9.427 1.00 0.00 C ATOM 1964 CG2 ILE A 123 0.294 -0.411 11.635 1.00 0.00 C ATOM 1965 CD1 ILE A 123 0.205 0.089 8.959 1.00 0.00 C ATOM 0 H ILE A 123 -2.266 -3.162 10.356 1.00 0.00 H new ATOM 0 HA ILE A 123 0.548 -2.973 10.411 1.00 0.00 H new ATOM 0 HB ILE A 123 -1.684 -1.142 11.384 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -0.741 -1.817 8.823 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -1.823 -0.505 9.246 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -0.001 0.633 11.533 1.00 0.00 H new ATOM 0 HG22 ILE A 123 0.321 -0.679 12.691 1.00 0.00 H new ATOM 0 HG23 ILE A 123 1.283 -0.553 11.199 1.00 0.00 H new ATOM 0 HD11 ILE A 123 0.052 0.303 7.901 1.00 0.00 H new ATOM 0 HD12 ILE A 123 0.105 1.010 9.534 1.00 0.00 H new ATOM 0 HD13 ILE A 123 1.204 -0.323 9.105 1.00 0.00 H new ATOM 1977 N ALA A 124 -0.941 -3.527 13.267 1.00 0.00 N ATOM 1978 CA ALA A 124 -0.701 -3.863 14.666 1.00 0.00 C ATOM 1979 C ALA A 124 0.403 -4.906 14.788 1.00 0.00 C ATOM 1980 O ALA A 124 1.123 -4.949 15.785 1.00 0.00 O ATOM 1981 CB ALA A 124 -1.979 -4.367 15.320 1.00 0.00 C ATOM 0 H ALA A 124 -1.906 -3.648 12.961 1.00 0.00 H new ATOM 0 HA ALA A 124 -0.379 -2.959 15.183 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -1.781 -4.613 16.363 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -2.744 -3.592 15.268 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.329 -5.257 14.797 1.00 0.00 H new ATOM 1987 N LYS A 125 0.524 -5.749 13.768 1.00 0.00 N ATOM 1988 CA LYS A 125 1.539 -6.799 13.763 1.00 0.00 C ATOM 1989 C LYS A 125 2.940 -6.232 13.522 1.00 0.00 C ATOM 1990 O LYS A 125 3.864 -6.495 14.292 1.00 0.00 O ATOM 1991 CB LYS A 125 1.213 -7.842 12.693 1.00 0.00 C ATOM 1992 CG LYS A 125 -0.128 -8.527 12.900 1.00 0.00 C ATOM 1993 CD LYS A 125 -0.093 -9.476 14.088 1.00 0.00 C ATOM 1994 CE LYS A 125 -0.708 -8.843 15.326 1.00 0.00 C ATOM 1995 NZ LYS A 125 -0.897 -9.833 16.421 1.00 0.00 N ATOM 0 H LYS A 125 -0.066 -5.727 12.936 1.00 0.00 H new ATOM 0 HA LYS A 125 1.531 -7.269 14.747 1.00 0.00 H new ATOM 0 HB2 LYS A 125 1.219 -7.361 11.715 1.00 0.00 H new ATOM 0 HB3 LYS A 125 1.999 -8.597 12.682 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -0.901 -7.775 13.057 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -0.398 -9.079 12.000 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -0.632 -10.391 13.840 1.00 0.00 H new ATOM 0 HD3 LYS A 125 0.938 -9.760 14.298 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -0.068 -8.033 15.676 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -1.670 -8.400 15.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -1.318 -9.361 17.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -1.528 -10.593 16.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 0.024 -10.237 16.686 1.00 0.00 H new ATOM 2009 N LEU A 126 3.094 -5.464 12.446 1.00 0.00 N ATOM 2010 CA LEU A 126 4.382 -4.874 12.099 1.00 0.00 C ATOM 2011 C LEU A 126 4.683 -3.644 12.955 1.00 0.00 C ATOM 2012 O LEU A 126 5.832 -3.399 13.318 1.00 0.00 O ATOM 2013 CB LEU A 126 4.402 -4.512 10.609 1.00 0.00 C ATOM 2014 CG LEU A 126 5.222 -3.274 10.231 1.00 0.00 C ATOM 2015 CD1 LEU A 126 5.748 -3.398 8.810 1.00 0.00 C ATOM 2016 CD2 LEU A 126 4.382 -2.015 10.385 1.00 0.00 C ATOM 0 H LEU A 126 2.340 -5.236 11.798 1.00 0.00 H new ATOM 0 HA LEU A 126 5.161 -5.610 12.300 1.00 0.00 H new ATOM 0 HB2 LEU A 126 4.791 -5.365 10.053 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.375 -4.358 10.279 1.00 0.00 H new ATOM 0 HG LEU A 126 6.075 -3.203 10.906 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.328 -2.510 8.558 1.00 0.00 H new ATOM 0 HD12 LEU A 126 6.383 -4.280 8.733 1.00 0.00 H new ATOM 0 HD13 LEU A 126 4.910 -3.492 8.119 1.00 0.00 H new ATOM 0 HD21 LEU A 126 4.978 -1.144 10.113 1.00 0.00 H new ATOM 0 HD22 LEU A 126 3.511 -2.077 9.733 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.054 -1.921 11.420 1.00 0.00 H new ATOM 2028 N LYS A 127 3.648 -2.875 13.265 1.00 0.00 N ATOM 2029 CA LYS A 127 3.799 -1.667 14.073 1.00 0.00 C ATOM 2030 C LYS A 127 4.520 -1.965 15.373 1.00 0.00 C ATOM 2031 O LYS A 127 5.405 -1.219 15.795 1.00 0.00 O ATOM 2032 CB LYS A 127 2.436 -1.071 14.378 1.00 0.00 C ATOM 2033 CG LYS A 127 2.503 0.260 15.106 1.00 0.00 C ATOM 2034 CD LYS A 127 1.158 0.969 15.100 1.00 0.00 C ATOM 2035 CE LYS A 127 0.411 0.760 16.408 1.00 0.00 C ATOM 2036 NZ LYS A 127 -0.630 -0.298 16.289 1.00 0.00 N ATOM 0 H LYS A 127 2.691 -3.065 12.969 1.00 0.00 H new ATOM 0 HA LYS A 127 4.393 -0.954 13.502 1.00 0.00 H new ATOM 0 HB2 LYS A 127 1.890 -0.938 13.444 1.00 0.00 H new ATOM 0 HB3 LYS A 127 1.867 -1.778 14.982 1.00 0.00 H new ATOM 0 HG2 LYS A 127 2.825 0.097 16.135 1.00 0.00 H new ATOM 0 HG3 LYS A 127 3.252 0.896 14.635 1.00 0.00 H new ATOM 0 HD2 LYS A 127 1.309 2.035 14.932 1.00 0.00 H new ATOM 0 HD3 LYS A 127 0.554 0.598 14.272 1.00 0.00 H new ATOM 0 HE2 LYS A 127 1.119 0.487 17.191 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -0.056 1.696 16.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -1.380 -0.127 16.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -1.038 -0.278 15.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -0.200 -1.229 16.462 1.00 0.00 H new ATOM 2050 N ARG A 128 4.153 -3.077 15.998 1.00 0.00 N ATOM 2051 CA ARG A 128 4.785 -3.485 17.239 1.00 0.00 C ATOM 2052 C ARG A 128 6.259 -3.786 16.990 1.00 0.00 C ATOM 2053 O ARG A 128 7.042 -3.934 17.928 1.00 0.00 O ATOM 2054 CB ARG A 128 4.082 -4.717 17.816 1.00 0.00 C ATOM 2055 CG ARG A 128 4.737 -5.260 19.076 1.00 0.00 C ATOM 2056 CD ARG A 128 3.873 -6.321 19.739 1.00 0.00 C ATOM 2057 NE ARG A 128 2.478 -5.903 19.848 1.00 0.00 N ATOM 2058 CZ ARG A 128 2.047 -4.973 20.696 1.00 0.00 C ATOM 2059 NH1 ARG A 128 2.898 -4.361 21.511 1.00 0.00 N ATOM 2060 NH2 ARG A 128 0.761 -4.653 20.731 1.00 0.00 N ATOM 0 H ARG A 128 3.424 -3.708 15.665 1.00 0.00 H new ATOM 0 HA ARG A 128 4.704 -2.673 17.962 1.00 0.00 H new ATOM 0 HB2 ARG A 128 3.045 -4.463 18.037 1.00 0.00 H new ATOM 0 HB3 ARG A 128 4.064 -5.502 17.060 1.00 0.00 H new ATOM 0 HG2 ARG A 128 5.710 -5.684 18.828 1.00 0.00 H new ATOM 0 HG3 ARG A 128 4.914 -4.444 19.776 1.00 0.00 H new ATOM 0 HD2 ARG A 128 3.930 -7.246 19.165 1.00 0.00 H new ATOM 0 HD3 ARG A 128 4.265 -6.538 20.733 1.00 0.00 H new ATOM 0 HE ARG A 128 1.794 -6.350 19.238 1.00 0.00 H new ATOM 0 HH11 ARG A 128 3.889 -4.603 21.489 1.00 0.00 H new ATOM 0 HH12 ARG A 128 2.561 -3.649 22.159 1.00 0.00 H new ATOM 0 HH21 ARG A 128 0.102 -5.120 20.108 1.00 0.00 H new ATOM 0 HH22 ARG A 128 0.430 -3.940 21.381 1.00 0.00 H new ATOM 2074 N LEU A 129 6.631 -3.864 15.711 1.00 0.00 N ATOM 2075 CA LEU A 129 8.014 -4.137 15.330 1.00 0.00 C ATOM 2076 C LEU A 129 8.534 -5.397 16.016 1.00 0.00 C ATOM 2077 O LEU A 129 9.065 -5.339 17.125 1.00 0.00 O ATOM 2078 CB LEU A 129 8.903 -2.940 15.685 1.00 0.00 C ATOM 2079 CG LEU A 129 9.164 -1.954 14.540 1.00 0.00 C ATOM 2080 CD1 LEU A 129 7.883 -1.666 13.771 1.00 0.00 C ATOM 2081 CD2 LEU A 129 9.763 -0.662 15.077 1.00 0.00 C ATOM 0 H LEU A 129 5.994 -3.742 14.924 1.00 0.00 H new ATOM 0 HA LEU A 129 8.044 -4.300 14.253 1.00 0.00 H new ATOM 0 HB2 LEU A 129 8.442 -2.398 16.511 1.00 0.00 H new ATOM 0 HB3 LEU A 129 9.861 -3.314 16.045 1.00 0.00 H new ATOM 0 HG LEU A 129 9.878 -2.410 13.854 1.00 0.00 H new ATOM 0 HD11 LEU A 129 8.093 -0.964 12.964 1.00 0.00 H new ATOM 0 HD12 LEU A 129 7.493 -2.594 13.353 1.00 0.00 H new ATOM 0 HD13 LEU A 129 7.144 -1.233 14.445 1.00 0.00 H new ATOM 0 HD21 LEU A 129 9.942 0.027 14.251 1.00 0.00 H new ATOM 0 HD22 LEU A 129 9.071 -0.207 15.786 1.00 0.00 H new ATOM 0 HD23 LEU A 129 10.706 -0.879 15.579 1.00 0.00 H new