USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 795 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 1 GLY N :NH3+ -123:sc= 0.136 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0689 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.787 K(o=-0.79,f=-2!) USER MOD Single : A 18 THR OG1 : rot 160:sc= -0.382 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 73:sc= 0.285 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -3.9! C(o=-3.9!,f=-4.7!) USER MOD Single : A 39 MET CE :methyl -176:sc= 0 (180deg=-0.0262) USER MOD Single : A 42 ASN : amide:sc= -0.0849 K(o=-0.085,f=-1.7!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -4.63! C(o=-4.6!,f=-10!) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 MET CE :methyl -112:sc= -3.73! (180deg=-6.3!) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc=-0.00602 X(o=-0.006,f=-0.007) USER MOD Single : A 76 MET CE :methyl 163:sc= -1.1 (180deg=-1.16) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 60:sc= -0.123 USER MOD Single : A 80 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0444) USER MOD Single : A 81 GLN : amide:sc= -3.13! C(o=-3.1!,f=-5.5!) USER MOD Single : A 83 MET CE :methyl -174:sc= -1.01 (180deg=-1.27) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 10:sc= -0.647 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.214 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -33.537 -2.262 3.572 1.00 0.00 N ATOM 2 CA GLY A 1 -32.284 -2.310 2.837 1.00 0.00 C ATOM 3 C GLY A 1 -32.376 -3.283 1.660 1.00 0.00 C ATOM 4 O GLY A 1 -33.423 -3.886 1.429 1.00 0.00 O ATOM 0 H1 GLY A 1 -33.886 -1.283 3.599 1.00 0.00 H new ATOM 0 H2 GLY A 1 -34.239 -2.867 3.101 1.00 0.00 H new ATOM 0 H3 GLY A 1 -33.383 -2.602 4.543 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -32.034 -1.314 2.471 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -31.478 -2.616 3.504 1.00 0.00 H new ATOM 8 N SER A 2 -31.266 -3.404 0.946 1.00 0.00 N ATOM 9 CA SER A 2 -31.208 -4.293 -0.201 1.00 0.00 C ATOM 10 C SER A 2 -29.834 -4.198 -0.868 1.00 0.00 C ATOM 11 O SER A 2 -29.130 -5.199 -0.992 1.00 0.00 O ATOM 12 CB SER A 2 -32.311 -3.964 -1.209 1.00 0.00 C ATOM 13 OG SER A 2 -32.303 -2.588 -1.578 1.00 0.00 O ATOM 0 H SER A 2 -30.400 -2.901 1.140 1.00 0.00 H new ATOM 0 HA SER A 2 -31.365 -5.313 0.149 1.00 0.00 H new ATOM 0 HB2 SER A 2 -32.183 -4.579 -2.100 1.00 0.00 H new ATOM 0 HB3 SER A 2 -33.281 -4.219 -0.782 1.00 0.00 H new ATOM 0 HG SER A 2 -33.020 -2.418 -2.224 1.00 0.00 H new ATOM 19 N SER A 3 -29.494 -2.985 -1.279 1.00 0.00 N ATOM 20 CA SER A 3 -28.217 -2.747 -1.930 1.00 0.00 C ATOM 21 C SER A 3 -27.079 -3.297 -1.067 1.00 0.00 C ATOM 22 O SER A 3 -27.185 -3.332 0.158 1.00 0.00 O ATOM 23 CB SER A 3 -28.006 -1.255 -2.198 1.00 0.00 C ATOM 24 OG SER A 3 -28.419 -0.886 -3.511 1.00 0.00 O ATOM 0 H SER A 3 -30.080 -2.157 -1.174 1.00 0.00 H new ATOM 0 HA SER A 3 -28.220 -3.265 -2.889 1.00 0.00 H new ATOM 0 HB2 SER A 3 -28.564 -0.672 -1.465 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.953 -1.008 -2.066 1.00 0.00 H new ATOM 0 HG SER A 3 -28.270 0.074 -3.643 1.00 0.00 H new ATOM 30 N GLY A 4 -26.017 -3.712 -1.740 1.00 0.00 N ATOM 31 CA GLY A 4 -24.860 -4.259 -1.051 1.00 0.00 C ATOM 32 C GLY A 4 -23.645 -4.315 -1.978 1.00 0.00 C ATOM 33 O GLY A 4 -23.702 -3.841 -3.112 1.00 0.00 O ATOM 0 H GLY A 4 -25.933 -3.681 -2.756 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.629 -3.647 -0.179 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -25.090 -5.260 -0.686 1.00 0.00 H new ATOM 37 N SER A 5 -22.573 -4.900 -1.462 1.00 0.00 N ATOM 38 CA SER A 5 -21.346 -5.024 -2.230 1.00 0.00 C ATOM 39 C SER A 5 -20.328 -5.864 -1.456 1.00 0.00 C ATOM 40 O SER A 5 -20.502 -6.115 -0.265 1.00 0.00 O ATOM 41 CB SER A 5 -20.760 -3.649 -2.558 1.00 0.00 C ATOM 42 OG SER A 5 -20.652 -3.437 -3.963 1.00 0.00 O ATOM 0 H SER A 5 -22.529 -5.293 -0.522 1.00 0.00 H new ATOM 0 HA SER A 5 -21.580 -5.523 -3.171 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.389 -2.873 -2.121 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.775 -3.556 -2.100 1.00 0.00 H new ATOM 0 HG SER A 5 -20.276 -2.548 -4.132 1.00 0.00 H new ATOM 48 N SER A 6 -19.287 -6.276 -2.166 1.00 0.00 N ATOM 49 CA SER A 6 -18.241 -7.082 -1.561 1.00 0.00 C ATOM 50 C SER A 6 -17.022 -7.136 -2.483 1.00 0.00 C ATOM 51 O SER A 6 -17.101 -6.742 -3.646 1.00 0.00 O ATOM 52 CB SER A 6 -18.741 -8.496 -1.259 1.00 0.00 C ATOM 53 OG SER A 6 -18.054 -9.081 -0.156 1.00 0.00 O ATOM 0 H SER A 6 -19.146 -6.066 -3.154 1.00 0.00 H new ATOM 0 HA SER A 6 -17.954 -6.618 -0.618 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.809 -8.465 -1.045 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.610 -9.123 -2.141 1.00 0.00 H new ATOM 0 HG SER A 6 -18.403 -9.982 0.006 1.00 0.00 H new ATOM 59 N GLY A 7 -15.922 -7.627 -1.931 1.00 0.00 N ATOM 60 CA GLY A 7 -14.688 -7.737 -2.689 1.00 0.00 C ATOM 61 C GLY A 7 -14.219 -9.192 -2.765 1.00 0.00 C ATOM 62 O GLY A 7 -14.456 -9.973 -1.845 1.00 0.00 O ATOM 0 H GLY A 7 -15.860 -7.953 -0.967 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.839 -7.347 -3.695 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.915 -7.126 -2.223 1.00 0.00 H new ATOM 66 N GLU A 8 -13.563 -9.511 -3.871 1.00 0.00 N ATOM 67 CA GLU A 8 -13.059 -10.858 -4.080 1.00 0.00 C ATOM 68 C GLU A 8 -11.572 -10.819 -4.436 1.00 0.00 C ATOM 69 O GLU A 8 -11.176 -11.258 -5.514 1.00 0.00 O ATOM 70 CB GLU A 8 -13.863 -11.583 -5.161 1.00 0.00 C ATOM 71 CG GLU A 8 -13.657 -10.929 -6.529 1.00 0.00 C ATOM 72 CD GLU A 8 -12.939 -11.880 -7.489 1.00 0.00 C ATOM 73 OE1 GLU A 8 -12.275 -12.807 -6.978 1.00 0.00 O ATOM 74 OE2 GLU A 8 -13.070 -11.657 -8.712 1.00 0.00 O ATOM 0 H GLU A 8 -13.369 -8.860 -4.632 1.00 0.00 H new ATOM 0 HA GLU A 8 -13.176 -11.417 -3.151 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -13.560 -12.629 -5.205 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -14.922 -11.569 -4.903 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -14.622 -10.643 -6.948 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -13.075 -10.014 -6.415 1.00 0.00 H new ATOM 81 N GLY A 9 -10.788 -10.289 -3.508 1.00 0.00 N ATOM 82 CA GLY A 9 -9.353 -10.186 -3.711 1.00 0.00 C ATOM 83 C GLY A 9 -8.786 -8.953 -3.004 1.00 0.00 C ATOM 84 O GLY A 9 -9.521 -8.016 -2.698 1.00 0.00 O ATOM 0 H GLY A 9 -11.120 -9.927 -2.614 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -8.863 -11.084 -3.333 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.136 -10.130 -4.778 1.00 0.00 H new ATOM 88 N TYR A 10 -7.483 -8.993 -2.767 1.00 0.00 N ATOM 89 CA TYR A 10 -6.809 -7.891 -2.102 1.00 0.00 C ATOM 90 C TYR A 10 -5.935 -7.110 -3.086 1.00 0.00 C ATOM 91 O TYR A 10 -6.096 -5.900 -3.240 1.00 0.00 O ATOM 92 CB TYR A 10 -5.914 -8.525 -1.036 1.00 0.00 C ATOM 93 CG TYR A 10 -6.671 -9.022 0.197 1.00 0.00 C ATOM 94 CD1 TYR A 10 -7.664 -8.244 0.757 1.00 0.00 C ATOM 95 CD2 TYR A 10 -6.362 -10.249 0.749 1.00 0.00 C ATOM 96 CE1 TYR A 10 -8.377 -8.712 1.918 1.00 0.00 C ATOM 97 CE2 TYR A 10 -7.075 -10.717 1.909 1.00 0.00 C ATOM 98 CZ TYR A 10 -8.047 -9.925 2.436 1.00 0.00 C ATOM 99 OH TYR A 10 -8.720 -10.367 3.532 1.00 0.00 O ATOM 0 H TYR A 10 -6.876 -9.772 -3.024 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.535 -7.196 -1.679 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.374 -9.362 -1.480 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.168 -7.795 -0.722 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.906 -7.284 0.325 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.585 -10.858 0.311 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -9.156 -8.113 2.367 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.843 -11.675 2.351 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.380 -11.249 3.791 1.00 0.00 H new ATOM 109 N GLU A 11 -5.029 -7.834 -3.727 1.00 0.00 N ATOM 110 CA GLU A 11 -4.130 -7.224 -4.691 1.00 0.00 C ATOM 111 C GLU A 11 -4.879 -6.193 -5.538 1.00 0.00 C ATOM 112 O GLU A 11 -4.414 -5.067 -5.708 1.00 0.00 O ATOM 113 CB GLU A 11 -3.471 -8.285 -5.574 1.00 0.00 C ATOM 114 CG GLU A 11 -2.432 -9.086 -4.787 1.00 0.00 C ATOM 115 CD GLU A 11 -2.812 -10.567 -4.727 1.00 0.00 C ATOM 116 OE1 GLU A 11 -3.813 -10.869 -4.041 1.00 0.00 O ATOM 117 OE2 GLU A 11 -2.093 -11.364 -5.367 1.00 0.00 O ATOM 0 H GLU A 11 -4.899 -8.837 -3.597 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.339 -6.710 -4.145 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.232 -8.958 -5.969 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.994 -7.806 -6.429 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.453 -8.977 -5.254 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.349 -8.687 -3.776 1.00 0.00 H new ATOM 124 N GLN A 12 -6.027 -6.616 -6.048 1.00 0.00 N ATOM 125 CA GLN A 12 -6.845 -5.744 -6.874 1.00 0.00 C ATOM 126 C GLN A 12 -6.996 -4.374 -6.211 1.00 0.00 C ATOM 127 O GLN A 12 -6.500 -3.373 -6.725 1.00 0.00 O ATOM 128 CB GLN A 12 -8.212 -6.374 -7.149 1.00 0.00 C ATOM 129 CG GLN A 12 -8.949 -5.622 -8.258 1.00 0.00 C ATOM 130 CD GLN A 12 -10.136 -4.838 -7.694 1.00 0.00 C ATOM 131 OE1 GLN A 12 -10.691 -5.162 -6.657 1.00 0.00 O ATOM 132 NE2 GLN A 12 -10.493 -3.791 -8.433 1.00 0.00 N ATOM 0 H GLN A 12 -6.410 -7.551 -5.905 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.344 -5.609 -7.833 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.084 -7.418 -7.435 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.811 -6.364 -6.238 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -8.262 -4.939 -8.758 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -9.300 -6.328 -9.010 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -9.985 -3.575 -9.291 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.274 -3.204 -8.142 1.00 0.00 H new ATOM 141 N ASP A 13 -7.685 -4.372 -5.079 1.00 0.00 N ATOM 142 CA ASP A 13 -7.908 -3.141 -4.340 1.00 0.00 C ATOM 143 C ASP A 13 -6.589 -2.374 -4.226 1.00 0.00 C ATOM 144 O ASP A 13 -6.487 -1.236 -4.680 1.00 0.00 O ATOM 145 CB ASP A 13 -8.409 -3.431 -2.924 1.00 0.00 C ATOM 146 CG ASP A 13 -9.753 -2.792 -2.571 1.00 0.00 C ATOM 147 OD1 ASP A 13 -10.242 -2.000 -3.405 1.00 0.00 O ATOM 148 OD2 ASP A 13 -10.262 -3.109 -1.474 1.00 0.00 O ATOM 0 H ASP A 13 -8.096 -5.204 -4.656 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.657 -2.558 -4.875 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.493 -4.510 -2.798 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.660 -3.084 -2.212 1.00 0.00 H new ATOM 153 N PHE A 14 -5.611 -3.029 -3.617 1.00 0.00 N ATOM 154 CA PHE A 14 -4.303 -2.422 -3.437 1.00 0.00 C ATOM 155 C PHE A 14 -3.786 -1.835 -4.752 1.00 0.00 C ATOM 156 O PHE A 14 -3.627 -0.621 -4.873 1.00 0.00 O ATOM 157 CB PHE A 14 -3.354 -3.533 -2.981 1.00 0.00 C ATOM 158 CG PHE A 14 -1.879 -3.128 -2.978 1.00 0.00 C ATOM 159 CD1 PHE A 14 -1.127 -3.286 -4.100 1.00 0.00 C ATOM 160 CD2 PHE A 14 -1.318 -2.610 -1.852 1.00 0.00 C ATOM 161 CE1 PHE A 14 0.242 -2.910 -4.097 1.00 0.00 C ATOM 162 CE2 PHE A 14 0.051 -2.234 -1.849 1.00 0.00 C ATOM 163 CZ PHE A 14 0.802 -2.392 -2.971 1.00 0.00 C ATOM 0 H PHE A 14 -5.698 -3.974 -3.242 1.00 0.00 H new ATOM 0 HA PHE A 14 -4.364 -1.614 -2.708 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.636 -3.848 -1.976 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.482 -4.397 -3.634 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.572 -3.698 -4.994 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.914 -2.485 -0.960 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.839 -3.035 -4.989 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.496 -1.822 -0.955 1.00 0.00 H new ATOM 0 HZ PHE A 14 1.843 -2.106 -2.968 1.00 0.00 H new ATOM 173 N ALA A 15 -3.538 -2.723 -5.703 1.00 0.00 N ATOM 174 CA ALA A 15 -3.043 -2.307 -7.004 1.00 0.00 C ATOM 175 C ALA A 15 -3.869 -1.121 -7.505 1.00 0.00 C ATOM 176 O ALA A 15 -3.322 -0.170 -8.062 1.00 0.00 O ATOM 177 CB ALA A 15 -3.083 -3.494 -7.969 1.00 0.00 C ATOM 0 H ALA A 15 -3.671 -3.729 -5.599 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.006 -1.979 -6.932 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.712 -3.182 -8.945 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.457 -4.298 -7.583 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.109 -3.848 -8.067 1.00 0.00 H new ATOM 183 N VAL A 16 -5.173 -1.216 -7.289 1.00 0.00 N ATOM 184 CA VAL A 16 -6.080 -0.163 -7.712 1.00 0.00 C ATOM 185 C VAL A 16 -5.823 1.092 -6.875 1.00 0.00 C ATOM 186 O VAL A 16 -5.922 2.210 -7.379 1.00 0.00 O ATOM 187 CB VAL A 16 -7.527 -0.652 -7.626 1.00 0.00 C ATOM 188 CG1 VAL A 16 -8.501 0.525 -7.548 1.00 0.00 C ATOM 189 CG2 VAL A 16 -7.867 -1.568 -8.803 1.00 0.00 C ATOM 0 H VAL A 16 -5.623 -2.006 -6.827 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.901 0.099 -8.755 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.630 -1.232 -6.709 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.522 0.149 -7.488 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.281 1.121 -6.662 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.395 1.145 -8.438 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.901 -1.902 -8.718 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.738 -1.022 -9.738 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.205 -2.434 -8.793 1.00 0.00 H new ATOM 199 N LEU A 17 -5.497 0.865 -5.611 1.00 0.00 N ATOM 200 CA LEU A 17 -5.225 1.963 -4.699 1.00 0.00 C ATOM 201 C LEU A 17 -3.880 2.598 -5.060 1.00 0.00 C ATOM 202 O LEU A 17 -3.821 3.772 -5.422 1.00 0.00 O ATOM 203 CB LEU A 17 -5.311 1.488 -3.247 1.00 0.00 C ATOM 204 CG LEU A 17 -6.674 1.648 -2.570 1.00 0.00 C ATOM 205 CD1 LEU A 17 -6.742 0.831 -1.278 1.00 0.00 C ATOM 206 CD2 LEU A 17 -6.998 3.124 -2.332 1.00 0.00 C ATOM 0 H LEU A 17 -5.415 -0.064 -5.197 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.983 2.740 -4.801 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.031 0.435 -3.213 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.570 2.034 -2.662 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.438 1.255 -3.241 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.721 0.962 -0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.586 -0.223 -1.506 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.968 1.172 -0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.972 3.210 -1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.235 3.565 -1.690 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.018 3.651 -3.286 1.00 0.00 H new ATOM 218 N THR A 18 -2.833 1.793 -4.948 1.00 0.00 N ATOM 219 CA THR A 18 -1.493 2.262 -5.257 1.00 0.00 C ATOM 220 C THR A 18 -1.513 3.151 -6.502 1.00 0.00 C ATOM 221 O THR A 18 -0.942 4.241 -6.499 1.00 0.00 O ATOM 222 CB THR A 18 -0.586 1.038 -5.400 1.00 0.00 C ATOM 223 OG1 THR A 18 -1.172 0.293 -6.464 1.00 0.00 O ATOM 224 CG2 THR A 18 -0.675 0.099 -4.195 1.00 0.00 C ATOM 0 H THR A 18 -2.886 0.820 -4.648 1.00 0.00 H new ATOM 0 HA THR A 18 -1.098 2.887 -4.456 1.00 0.00 H new ATOM 0 HB THR A 18 0.446 1.365 -5.530 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.507 -0.322 -6.838 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.012 -0.753 -4.348 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.376 0.634 -3.294 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.700 -0.254 -4.084 1.00 0.00 H new ATOM 232 N ALA A 19 -2.176 2.654 -7.535 1.00 0.00 N ATOM 233 CA ALA A 19 -2.278 3.390 -8.784 1.00 0.00 C ATOM 234 C ALA A 19 -3.003 4.714 -8.532 1.00 0.00 C ATOM 235 O ALA A 19 -2.414 5.785 -8.673 1.00 0.00 O ATOM 236 CB ALA A 19 -2.987 2.527 -9.829 1.00 0.00 C ATOM 0 H ALA A 19 -2.648 1.750 -7.533 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.287 3.625 -9.173 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.063 3.079 -10.766 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.417 1.612 -9.992 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.986 2.274 -9.475 1.00 0.00 H new ATOM 242 N GLU A 20 -4.271 4.597 -8.165 1.00 0.00 N ATOM 243 CA GLU A 20 -5.082 5.771 -7.892 1.00 0.00 C ATOM 244 C GLU A 20 -4.329 6.736 -6.974 1.00 0.00 C ATOM 245 O GLU A 20 -4.556 7.944 -7.017 1.00 0.00 O ATOM 246 CB GLU A 20 -6.430 5.377 -7.286 1.00 0.00 C ATOM 247 CG GLU A 20 -7.571 6.179 -7.917 1.00 0.00 C ATOM 248 CD GLU A 20 -7.827 5.727 -9.356 1.00 0.00 C ATOM 249 OE1 GLU A 20 -7.045 6.153 -10.233 1.00 0.00 O ATOM 250 OE2 GLU A 20 -8.801 4.966 -9.547 1.00 0.00 O ATOM 0 H GLU A 20 -4.756 3.707 -8.050 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.279 6.279 -8.836 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.603 4.311 -7.437 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.413 5.548 -6.210 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.478 6.055 -7.326 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.325 7.241 -7.904 1.00 0.00 H new ATOM 257 N ILE A 21 -3.447 6.166 -6.166 1.00 0.00 N ATOM 258 CA ILE A 21 -2.659 6.961 -5.239 1.00 0.00 C ATOM 259 C ILE A 21 -1.487 7.597 -5.989 1.00 0.00 C ATOM 260 O ILE A 21 -1.396 8.821 -6.082 1.00 0.00 O ATOM 261 CB ILE A 21 -2.233 6.116 -4.037 1.00 0.00 C ATOM 262 CG1 ILE A 21 -3.451 5.650 -3.235 1.00 0.00 C ATOM 263 CG2 ILE A 21 -1.227 6.870 -3.165 1.00 0.00 C ATOM 264 CD1 ILE A 21 -3.103 4.443 -2.362 1.00 0.00 C ATOM 0 H ILE A 21 -3.261 5.164 -6.134 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.258 7.776 -4.831 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.731 5.223 -4.408 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.811 6.465 -2.608 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -4.261 5.389 -3.916 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.941 6.247 -2.318 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.342 7.109 -3.755 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.680 7.792 -2.801 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.985 4.132 -1.803 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.766 3.622 -2.994 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.309 4.714 -1.666 1.00 0.00 H new ATOM 276 N THR A 22 -0.619 6.739 -6.504 1.00 0.00 N ATOM 277 CA THR A 22 0.543 7.203 -7.243 1.00 0.00 C ATOM 278 C THR A 22 0.181 8.418 -8.099 1.00 0.00 C ATOM 279 O THR A 22 0.916 9.404 -8.125 1.00 0.00 O ATOM 280 CB THR A 22 1.086 6.026 -8.057 1.00 0.00 C ATOM 281 OG1 THR A 22 2.428 5.880 -7.603 1.00 0.00 O ATOM 282 CG2 THR A 22 1.230 6.359 -9.543 1.00 0.00 C ATOM 0 H THR A 22 -0.697 5.725 -6.424 1.00 0.00 H new ATOM 0 HA THR A 22 1.330 7.543 -6.570 1.00 0.00 H new ATOM 0 HB THR A 22 0.424 5.168 -7.940 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.855 5.137 -8.078 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.619 5.490 -10.075 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.256 6.628 -9.952 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.918 7.196 -9.663 1.00 0.00 H new ATOM 290 N SER A 23 -0.951 8.308 -8.778 1.00 0.00 N ATOM 291 CA SER A 23 -1.419 9.385 -9.632 1.00 0.00 C ATOM 292 C SER A 23 -1.552 10.676 -8.822 1.00 0.00 C ATOM 293 O SER A 23 -0.934 11.687 -9.152 1.00 0.00 O ATOM 294 CB SER A 23 -2.756 9.029 -10.285 1.00 0.00 C ATOM 295 OG SER A 23 -2.696 7.788 -10.983 1.00 0.00 O ATOM 0 H SER A 23 -1.558 7.489 -8.754 1.00 0.00 H new ATOM 0 HA SER A 23 -0.686 9.535 -10.425 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.531 8.977 -9.520 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.044 9.821 -10.977 1.00 0.00 H new ATOM 0 HG SER A 23 -2.666 7.051 -10.338 1.00 0.00 H new ATOM 301 N LYS A 24 -2.362 10.600 -7.776 1.00 0.00 N ATOM 302 CA LYS A 24 -2.583 11.750 -6.916 1.00 0.00 C ATOM 303 C LYS A 24 -1.236 12.269 -6.409 1.00 0.00 C ATOM 304 O LYS A 24 -1.029 13.478 -6.315 1.00 0.00 O ATOM 305 CB LYS A 24 -3.568 11.401 -5.798 1.00 0.00 C ATOM 306 CG LYS A 24 -4.959 11.107 -6.363 1.00 0.00 C ATOM 307 CD LYS A 24 -5.842 10.420 -5.319 1.00 0.00 C ATOM 308 CE LYS A 24 -7.269 10.243 -5.840 1.00 0.00 C ATOM 309 NZ LYS A 24 -8.229 10.195 -4.715 1.00 0.00 N ATOM 0 H LYS A 24 -2.873 9.760 -7.505 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.047 12.562 -7.477 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.205 10.534 -5.247 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.627 12.227 -5.090 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.428 12.036 -6.686 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.870 10.472 -7.244 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.421 9.448 -5.064 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.856 11.011 -4.403 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.523 11.066 -6.508 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.338 9.325 -6.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.193 10.075 -5.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.995 9.395 -4.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.175 11.082 -4.174 1.00 0.00 H new ATOM 323 N ILE A 25 -0.356 11.330 -6.095 1.00 0.00 N ATOM 324 CA ILE A 25 0.965 11.677 -5.601 1.00 0.00 C ATOM 325 C ILE A 25 1.697 12.509 -6.655 1.00 0.00 C ATOM 326 O ILE A 25 2.573 13.307 -6.324 1.00 0.00 O ATOM 327 CB ILE A 25 1.725 10.420 -5.173 1.00 0.00 C ATOM 328 CG1 ILE A 25 1.120 9.820 -3.902 1.00 0.00 C ATOM 329 CG2 ILE A 25 3.219 10.710 -5.015 1.00 0.00 C ATOM 330 CD1 ILE A 25 1.562 8.366 -3.719 1.00 0.00 C ATOM 0 H ILE A 25 -0.532 10.328 -6.173 1.00 0.00 H new ATOM 0 HA ILE A 25 0.886 12.294 -4.706 1.00 0.00 H new ATOM 0 HB ILE A 25 1.623 9.674 -5.961 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.425 10.408 -3.037 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.032 9.870 -3.954 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.736 9.800 -4.710 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.625 11.057 -5.965 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.362 11.480 -4.257 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.118 7.963 -2.809 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.234 7.776 -4.575 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.649 8.323 -3.643 1.00 0.00 H new ATOM 342 N ALA A 26 1.311 12.295 -7.905 1.00 0.00 N ATOM 343 CA ALA A 26 1.920 13.015 -9.010 1.00 0.00 C ATOM 344 C ALA A 26 1.148 14.313 -9.254 1.00 0.00 C ATOM 345 O ALA A 26 1.639 15.214 -9.933 1.00 0.00 O ATOM 346 CB ALA A 26 1.956 12.116 -10.248 1.00 0.00 C ATOM 0 H ALA A 26 0.584 11.633 -8.176 1.00 0.00 H new ATOM 0 HA ALA A 26 2.949 13.283 -8.772 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.413 12.656 -11.077 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.541 11.222 -10.032 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.940 11.828 -10.519 1.00 0.00 H new ATOM 352 N ARG A 27 -0.049 14.368 -8.688 1.00 0.00 N ATOM 353 CA ARG A 27 -0.893 15.541 -8.835 1.00 0.00 C ATOM 354 C ARG A 27 -0.700 16.488 -7.649 1.00 0.00 C ATOM 355 O ARG A 27 -1.034 17.669 -7.732 1.00 0.00 O ATOM 356 CB ARG A 27 -2.369 15.148 -8.930 1.00 0.00 C ATOM 357 CG ARG A 27 -2.903 15.359 -10.349 1.00 0.00 C ATOM 358 CD ARG A 27 -4.298 15.986 -10.322 1.00 0.00 C ATOM 359 NE ARG A 27 -5.058 15.581 -11.525 1.00 0.00 N ATOM 360 CZ ARG A 27 -5.503 14.337 -11.750 1.00 0.00 C ATOM 361 NH1 ARG A 27 -5.267 13.369 -10.854 1.00 0.00 N ATOM 362 NH2 ARG A 27 -6.184 14.061 -12.870 1.00 0.00 N ATOM 0 H ARG A 27 -0.454 13.619 -8.127 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.602 16.045 -9.757 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.490 14.103 -8.644 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -2.953 15.741 -8.226 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.222 16.003 -10.906 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.940 14.404 -10.873 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.829 15.672 -9.423 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.217 17.072 -10.282 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.256 16.294 -12.228 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.749 13.579 -10.001 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.606 12.422 -11.025 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.364 14.798 -13.552 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.522 13.114 -13.041 1.00 0.00 H new ATOM 376 N VAL A 28 -0.161 15.934 -6.573 1.00 0.00 N ATOM 377 CA VAL A 28 0.081 16.714 -5.371 1.00 0.00 C ATOM 378 C VAL A 28 0.899 17.956 -5.731 1.00 0.00 C ATOM 379 O VAL A 28 0.531 19.072 -5.369 1.00 0.00 O ATOM 380 CB VAL A 28 0.752 15.843 -4.308 1.00 0.00 C ATOM 381 CG1 VAL A 28 1.883 16.602 -3.611 1.00 0.00 C ATOM 382 CG2 VAL A 28 -0.271 15.330 -3.293 1.00 0.00 C ATOM 0 H VAL A 28 0.115 14.954 -6.508 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.860 17.058 -4.942 1.00 0.00 H new ATOM 0 HB VAL A 28 1.188 14.979 -4.810 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.343 15.960 -2.860 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.632 16.895 -4.347 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.480 17.493 -3.129 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.233 14.713 -2.549 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.750 16.176 -2.800 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.026 14.735 -3.806 1.00 0.00 H new ATOM 392 N PRO A 29 2.023 17.713 -6.457 1.00 0.00 N ATOM 393 CA PRO A 29 2.897 18.798 -6.869 1.00 0.00 C ATOM 394 C PRO A 29 2.280 19.590 -8.024 1.00 0.00 C ATOM 395 O PRO A 29 2.886 20.536 -8.526 1.00 0.00 O ATOM 396 CB PRO A 29 4.209 18.126 -7.243 1.00 0.00 C ATOM 397 CG PRO A 29 3.877 16.661 -7.471 1.00 0.00 C ATOM 398 CD PRO A 29 2.490 16.403 -6.903 1.00 0.00 C ATOM 0 HA PRO A 29 3.053 19.535 -6.081 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.635 18.574 -8.141 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.947 18.240 -6.449 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.904 16.425 -8.535 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.614 16.022 -6.984 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.825 15.981 -7.657 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.526 15.693 -6.077 1.00 0.00 H new ATOM 406 N ARG A 30 1.084 19.173 -8.412 1.00 0.00 N ATOM 407 CA ARG A 30 0.378 19.832 -9.499 1.00 0.00 C ATOM 408 C ARG A 30 -0.981 20.343 -9.016 1.00 0.00 C ATOM 409 O ARG A 30 -1.760 20.880 -9.802 1.00 0.00 O ATOM 410 CB ARG A 30 0.168 18.879 -10.677 1.00 0.00 C ATOM 411 CG ARG A 30 1.425 18.795 -11.545 1.00 0.00 C ATOM 412 CD ARG A 30 1.227 17.815 -12.703 1.00 0.00 C ATOM 413 NE ARG A 30 2.363 17.911 -13.647 1.00 0.00 N ATOM 414 CZ ARG A 30 2.555 17.077 -14.679 1.00 0.00 C ATOM 415 NH1 ARG A 30 1.688 16.080 -14.905 1.00 0.00 N ATOM 416 NH2 ARG A 30 3.614 17.240 -15.484 1.00 0.00 N ATOM 0 H ARG A 30 0.586 18.387 -7.994 1.00 0.00 H new ATOM 0 HA ARG A 30 0.989 20.672 -9.831 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.089 17.887 -10.306 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.673 19.221 -11.281 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.667 19.783 -11.937 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.271 18.478 -10.936 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.147 16.798 -12.320 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.293 18.035 -13.221 1.00 0.00 H new ATOM 0 HE ARG A 30 3.042 18.658 -13.503 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.882 15.956 -14.292 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.834 15.445 -15.690 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.274 17.998 -15.311 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.760 16.606 -16.269 1.00 0.00 H new ATOM 430 N LEU A 31 -1.223 20.158 -7.727 1.00 0.00 N ATOM 431 CA LEU A 31 -2.475 20.594 -7.131 1.00 0.00 C ATOM 432 C LEU A 31 -2.237 21.883 -6.342 1.00 0.00 C ATOM 433 O LEU A 31 -1.101 22.201 -5.993 1.00 0.00 O ATOM 434 CB LEU A 31 -3.092 19.468 -6.298 1.00 0.00 C ATOM 435 CG LEU A 31 -3.825 18.378 -7.082 1.00 0.00 C ATOM 436 CD1 LEU A 31 -4.043 17.134 -6.219 1.00 0.00 C ATOM 437 CD2 LEU A 31 -5.136 18.909 -7.665 1.00 0.00 C ATOM 0 H LEU A 31 -0.574 19.712 -7.078 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.206 20.824 -7.906 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.300 18.998 -5.715 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.791 19.910 -5.588 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.197 18.081 -7.922 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.566 16.375 -6.801 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.079 16.742 -5.895 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.640 17.397 -5.346 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.637 18.114 -8.217 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.782 19.251 -6.856 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.925 19.741 -8.337 1.00 0.00 H new ATOM 449 N PRO A 32 -3.356 22.609 -6.078 1.00 0.00 N ATOM 450 CA PRO A 32 -3.281 23.857 -5.337 1.00 0.00 C ATOM 451 C PRO A 32 -3.056 23.596 -3.846 1.00 0.00 C ATOM 452 O PRO A 32 -3.150 22.458 -3.390 1.00 0.00 O ATOM 453 CB PRO A 32 -4.595 24.565 -5.624 1.00 0.00 C ATOM 454 CG PRO A 32 -5.544 23.493 -6.133 1.00 0.00 C ATOM 455 CD PRO A 32 -4.718 22.263 -6.476 1.00 0.00 C ATOM 0 HA PRO A 32 -2.436 24.476 -5.640 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.988 25.039 -4.724 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.461 25.352 -6.366 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.290 23.253 -5.375 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.084 23.847 -7.011 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.076 21.384 -5.941 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.773 22.033 -7.540 1.00 0.00 H new ATOM 463 N PRO A 33 -2.755 24.699 -3.109 1.00 0.00 N ATOM 464 CA PRO A 33 -2.515 24.601 -1.679 1.00 0.00 C ATOM 465 C PRO A 33 -3.827 24.407 -0.916 1.00 0.00 C ATOM 466 O PRO A 33 -3.831 24.341 0.312 1.00 0.00 O ATOM 467 CB PRO A 33 -1.799 25.890 -1.311 1.00 0.00 C ATOM 468 CG PRO A 33 -2.076 26.861 -2.448 1.00 0.00 C ATOM 469 CD PRO A 33 -2.634 26.063 -3.616 1.00 0.00 C ATOM 0 HA PRO A 33 -1.909 23.735 -1.412 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.166 26.284 -0.363 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.728 25.722 -1.193 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.787 27.625 -2.133 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.162 27.377 -2.740 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -3.600 26.453 -3.937 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.970 26.107 -4.479 1.00 0.00 H new ATOM 477 N ASP A 34 -4.909 24.320 -1.675 1.00 0.00 N ATOM 478 CA ASP A 34 -6.224 24.135 -1.086 1.00 0.00 C ATOM 479 C ASP A 34 -6.593 22.650 -1.129 1.00 0.00 C ATOM 480 O ASP A 34 -7.093 22.103 -0.148 1.00 0.00 O ATOM 481 CB ASP A 34 -7.291 24.909 -1.863 1.00 0.00 C ATOM 482 CG ASP A 34 -7.365 26.404 -1.545 1.00 0.00 C ATOM 483 OD1 ASP A 34 -6.557 26.845 -0.699 1.00 0.00 O ATOM 484 OD2 ASP A 34 -8.227 27.072 -2.155 1.00 0.00 O ATOM 0 H ASP A 34 -4.902 24.374 -2.694 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.188 24.502 -0.060 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.101 24.789 -2.930 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.264 24.461 -1.660 1.00 0.00 H new ATOM 489 N GLU A 35 -6.331 22.041 -2.276 1.00 0.00 N ATOM 490 CA GLU A 35 -6.629 20.631 -2.460 1.00 0.00 C ATOM 491 C GLU A 35 -5.416 19.779 -2.082 1.00 0.00 C ATOM 492 O GLU A 35 -5.567 18.662 -1.590 1.00 0.00 O ATOM 493 CB GLU A 35 -7.073 20.347 -3.896 1.00 0.00 C ATOM 494 CG GLU A 35 -8.260 21.229 -4.288 1.00 0.00 C ATOM 495 CD GLU A 35 -9.582 20.480 -4.109 1.00 0.00 C ATOM 496 OE1 GLU A 35 -9.684 19.740 -3.107 1.00 0.00 O ATOM 497 OE2 GLU A 35 -10.461 20.665 -4.979 1.00 0.00 O ATOM 0 H GLU A 35 -5.915 22.498 -3.087 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.455 20.365 -1.801 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.242 20.525 -4.579 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.348 19.297 -3.994 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.264 22.132 -3.678 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.155 21.546 -5.326 1.00 0.00 H new ATOM 504 N LYS A 36 -4.240 20.338 -2.327 1.00 0.00 N ATOM 505 CA LYS A 36 -3.002 19.644 -2.019 1.00 0.00 C ATOM 506 C LYS A 36 -3.023 19.199 -0.555 1.00 0.00 C ATOM 507 O LYS A 36 -2.954 18.006 -0.263 1.00 0.00 O ATOM 508 CB LYS A 36 -1.796 20.512 -2.381 1.00 0.00 C ATOM 509 CG LYS A 36 -0.488 19.832 -1.972 1.00 0.00 C ATOM 510 CD LYS A 36 0.720 20.579 -2.541 1.00 0.00 C ATOM 511 CE LYS A 36 2.030 19.949 -2.063 1.00 0.00 C ATOM 512 NZ LYS A 36 2.912 20.976 -1.466 1.00 0.00 N ATOM 0 H LYS A 36 -4.119 21.265 -2.736 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.909 18.743 -2.625 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.790 20.703 -3.454 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.878 21.479 -1.885 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.418 19.795 -0.885 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.483 18.802 -2.327 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.681 20.564 -3.630 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.682 21.625 -2.235 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.820 19.171 -1.329 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.536 19.469 -2.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.796 20.531 -1.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.127 21.704 -2.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.433 21.415 -0.654 1.00 0.00 H new ATOM 526 N LYS A 37 -3.116 20.183 0.328 1.00 0.00 N ATOM 527 CA LYS A 37 -3.147 19.908 1.754 1.00 0.00 C ATOM 528 C LYS A 37 -3.983 18.653 2.010 1.00 0.00 C ATOM 529 O LYS A 37 -3.500 17.692 2.607 1.00 0.00 O ATOM 530 CB LYS A 37 -3.631 21.137 2.527 1.00 0.00 C ATOM 531 CG LYS A 37 -2.565 21.621 3.512 1.00 0.00 C ATOM 532 CD LYS A 37 -1.864 22.876 2.989 1.00 0.00 C ATOM 533 CE LYS A 37 -0.502 22.532 2.384 1.00 0.00 C ATOM 534 NZ LYS A 37 0.458 23.637 2.605 1.00 0.00 N ATOM 0 H LYS A 37 -3.171 21.172 0.083 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.142 19.703 2.123 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.876 21.937 1.828 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.546 20.894 3.067 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.026 21.833 4.477 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.831 20.832 3.676 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.488 23.359 2.237 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.735 23.590 3.802 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.120 21.615 2.832 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.609 22.344 1.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.377 23.387 2.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.099 24.504 2.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.573 23.798 3.626 1.00 0.00 H new ATOM 548 N GLN A 38 -5.223 18.701 1.545 1.00 0.00 N ATOM 549 CA GLN A 38 -6.130 17.580 1.716 1.00 0.00 C ATOM 550 C GLN A 38 -5.602 16.351 0.972 1.00 0.00 C ATOM 551 O GLN A 38 -5.584 15.250 1.520 1.00 0.00 O ATOM 552 CB GLN A 38 -7.541 17.940 1.246 1.00 0.00 C ATOM 553 CG GLN A 38 -8.154 19.025 2.134 1.00 0.00 C ATOM 554 CD GLN A 38 -8.340 20.329 1.357 1.00 0.00 C ATOM 555 OE1 GLN A 38 -8.721 20.342 0.198 1.00 0.00 O ATOM 556 NE2 GLN A 38 -8.051 21.422 2.057 1.00 0.00 N ATOM 0 H GLN A 38 -5.620 19.499 1.050 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.185 17.342 2.778 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.507 18.287 0.213 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.172 17.051 1.263 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -9.116 18.686 2.517 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.511 19.200 2.997 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.737 21.340 3.024 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.143 22.342 1.627 1.00 0.00 H new ATOM 565 N MET A 39 -5.185 16.581 -0.264 1.00 0.00 N ATOM 566 CA MET A 39 -4.658 15.507 -1.088 1.00 0.00 C ATOM 567 C MET A 39 -3.485 14.811 -0.396 1.00 0.00 C ATOM 568 O MET A 39 -3.417 13.583 -0.366 1.00 0.00 O ATOM 569 CB MET A 39 -4.195 16.074 -2.432 1.00 0.00 C ATOM 570 CG MET A 39 -3.731 14.957 -3.368 1.00 0.00 C ATOM 571 SD MET A 39 -5.024 13.741 -3.556 1.00 0.00 S ATOM 572 CE MET A 39 -5.813 14.354 -5.036 1.00 0.00 C ATOM 0 H MET A 39 -5.201 17.496 -0.715 1.00 0.00 H new ATOM 0 HA MET A 39 -5.449 14.774 -1.246 1.00 0.00 H new ATOM 0 HB2 MET A 39 -5.010 16.628 -2.897 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.381 16.780 -2.271 1.00 0.00 H new ATOM 0 HG2 MET A 39 -3.467 15.373 -4.341 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.833 14.486 -2.968 1.00 0.00 H new ATOM 0 HE1 MET A 39 -6.692 13.748 -5.257 1.00 0.00 H new ATOM 0 HE2 MET A 39 -6.115 15.390 -4.885 1.00 0.00 H new ATOM 0 HE3 MET A 39 -5.114 14.298 -5.871 1.00 0.00 H new ATOM 582 N VAL A 40 -2.589 15.625 0.142 1.00 0.00 N ATOM 583 CA VAL A 40 -1.422 15.102 0.832 1.00 0.00 C ATOM 584 C VAL A 40 -1.871 14.336 2.078 1.00 0.00 C ATOM 585 O VAL A 40 -1.082 13.615 2.686 1.00 0.00 O ATOM 586 CB VAL A 40 -0.448 16.239 1.148 1.00 0.00 C ATOM 587 CG1 VAL A 40 0.615 15.788 2.152 1.00 0.00 C ATOM 588 CG2 VAL A 40 0.198 16.779 -0.129 1.00 0.00 C ATOM 0 H VAL A 40 -2.648 16.643 0.114 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.885 14.399 0.195 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.017 17.049 1.604 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.294 16.615 2.359 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.132 15.475 3.078 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.177 14.952 1.736 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.886 17.586 0.124 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.746 15.978 -0.626 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.576 17.158 -0.796 1.00 0.00 H new ATOM 598 N ALA A 41 -3.138 14.519 2.420 1.00 0.00 N ATOM 599 CA ALA A 41 -3.702 13.853 3.583 1.00 0.00 C ATOM 600 C ALA A 41 -4.530 12.651 3.125 1.00 0.00 C ATOM 601 O ALA A 41 -4.531 11.609 3.777 1.00 0.00 O ATOM 602 CB ALA A 41 -4.526 14.855 4.394 1.00 0.00 C ATOM 0 H ALA A 41 -3.790 15.118 1.913 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.911 13.479 4.233 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.949 14.357 5.266 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.885 15.674 4.720 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.332 15.249 3.775 1.00 0.00 H new ATOM 608 N ASN A 42 -5.216 12.837 2.007 1.00 0.00 N ATOM 609 CA ASN A 42 -6.047 11.781 1.454 1.00 0.00 C ATOM 610 C ASN A 42 -5.167 10.582 1.093 1.00 0.00 C ATOM 611 O ASN A 42 -5.567 9.435 1.285 1.00 0.00 O ATOM 612 CB ASN A 42 -6.756 12.247 0.181 1.00 0.00 C ATOM 613 CG ASN A 42 -8.054 11.468 -0.040 1.00 0.00 C ATOM 614 OD1 ASN A 42 -8.429 10.603 0.735 1.00 0.00 O ATOM 615 ND2 ASN A 42 -8.717 11.821 -1.138 1.00 0.00 N ATOM 0 H ASN A 42 -5.213 13.704 1.469 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.792 11.511 2.203 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.975 13.313 0.252 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -6.097 12.113 -0.677 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.595 11.359 -1.374 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.347 12.553 -1.744 1.00 0.00 H new ATOM 622 N VAL A 43 -3.986 10.889 0.577 1.00 0.00 N ATOM 623 CA VAL A 43 -3.047 9.851 0.188 1.00 0.00 C ATOM 624 C VAL A 43 -2.534 9.138 1.440 1.00 0.00 C ATOM 625 O VAL A 43 -2.278 7.935 1.413 1.00 0.00 O ATOM 626 CB VAL A 43 -1.924 10.453 -0.660 1.00 0.00 C ATOM 627 CG1 VAL A 43 -0.730 9.500 -0.743 1.00 0.00 C ATOM 628 CG2 VAL A 43 -2.429 10.823 -2.055 1.00 0.00 C ATOM 0 H VAL A 43 -3.658 11.842 0.419 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.540 9.103 -0.433 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.589 11.368 -0.172 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.054 9.951 -1.351 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.347 9.308 0.259 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.045 8.560 -1.197 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.611 11.249 -2.637 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.804 9.930 -2.555 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.232 11.555 -1.969 1.00 0.00 H new ATOM 638 N GLU A 44 -2.399 9.910 2.509 1.00 0.00 N ATOM 639 CA GLU A 44 -1.921 9.366 3.769 1.00 0.00 C ATOM 640 C GLU A 44 -2.842 8.240 4.245 1.00 0.00 C ATOM 641 O GLU A 44 -2.370 7.193 4.684 1.00 0.00 O ATOM 642 CB GLU A 44 -1.804 10.463 4.829 1.00 0.00 C ATOM 643 CG GLU A 44 -0.549 11.310 4.606 1.00 0.00 C ATOM 644 CD GLU A 44 0.323 11.340 5.863 1.00 0.00 C ATOM 645 OE1 GLU A 44 1.096 10.373 6.041 1.00 0.00 O ATOM 646 OE2 GLU A 44 0.197 12.329 6.617 1.00 0.00 O ATOM 0 H GLU A 44 -2.612 10.907 2.528 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.926 8.951 3.610 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.688 11.100 4.797 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.772 10.013 5.821 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.024 10.905 3.771 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.835 12.326 4.333 1.00 0.00 H new ATOM 653 N LYS A 45 -4.138 8.494 4.140 1.00 0.00 N ATOM 654 CA LYS A 45 -5.128 7.515 4.554 1.00 0.00 C ATOM 655 C LYS A 45 -5.103 6.330 3.586 1.00 0.00 C ATOM 656 O LYS A 45 -4.977 5.182 4.009 1.00 0.00 O ATOM 657 CB LYS A 45 -6.505 8.169 4.689 1.00 0.00 C ATOM 658 CG LYS A 45 -7.071 7.969 6.096 1.00 0.00 C ATOM 659 CD LYS A 45 -6.319 8.826 7.117 1.00 0.00 C ATOM 660 CE LYS A 45 -7.265 9.809 7.810 1.00 0.00 C ATOM 661 NZ LYS A 45 -6.894 11.204 7.483 1.00 0.00 N ATOM 0 H LYS A 45 -4.525 9.364 3.774 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.887 7.125 5.543 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.428 9.234 4.472 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.188 7.742 3.954 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.129 8.230 6.106 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.999 6.918 6.375 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.848 8.183 7.861 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.520 9.375 6.618 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.291 9.617 7.497 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.227 9.660 8.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.546 11.858 7.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.922 11.389 7.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.953 11.347 6.455 1.00 0.00 H new ATOM 675 N GLN A 46 -5.225 6.650 2.306 1.00 0.00 N ATOM 676 CA GLN A 46 -5.218 5.626 1.275 1.00 0.00 C ATOM 677 C GLN A 46 -3.909 4.834 1.323 1.00 0.00 C ATOM 678 O GLN A 46 -3.868 3.672 0.922 1.00 0.00 O ATOM 679 CB GLN A 46 -5.437 6.240 -0.109 1.00 0.00 C ATOM 680 CG GLN A 46 -6.907 6.606 -0.320 1.00 0.00 C ATOM 681 CD GLN A 46 -7.823 5.450 0.085 1.00 0.00 C ATOM 682 OE1 GLN A 46 -7.476 4.285 -0.015 1.00 0.00 O ATOM 683 NE2 GLN A 46 -9.010 5.836 0.546 1.00 0.00 N ATOM 0 H GLN A 46 -5.329 7.604 1.959 1.00 0.00 H new ATOM 0 HA GLN A 46 -6.043 4.939 1.466 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.818 7.130 -0.218 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -5.120 5.535 -0.878 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -7.153 7.492 0.266 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -7.076 6.859 -1.367 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -9.236 6.829 0.604 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -9.693 5.139 0.842 1.00 0.00 H new ATOM 692 N LEU A 47 -2.872 5.495 1.816 1.00 0.00 N ATOM 693 CA LEU A 47 -1.566 4.867 1.921 1.00 0.00 C ATOM 694 C LEU A 47 -1.601 3.810 3.027 1.00 0.00 C ATOM 695 O LEU A 47 -1.311 2.640 2.781 1.00 0.00 O ATOM 696 CB LEU A 47 -0.478 5.925 2.116 1.00 0.00 C ATOM 697 CG LEU A 47 0.168 6.466 0.838 1.00 0.00 C ATOM 698 CD1 LEU A 47 1.137 7.606 1.155 1.00 0.00 C ATOM 699 CD2 LEU A 47 0.842 5.343 0.047 1.00 0.00 C ATOM 0 H LEU A 47 -2.910 6.459 2.147 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.315 4.351 0.994 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.908 6.763 2.665 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.305 5.501 2.744 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.618 6.878 0.205 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.582 7.973 0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.597 8.417 1.644 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.923 7.242 1.817 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.293 5.754 -0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.615 4.879 0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.099 4.594 -0.227 1.00 0.00 H new ATOM 711 N GLU A 48 -1.957 4.260 4.221 1.00 0.00 N ATOM 712 CA GLU A 48 -2.034 3.367 5.365 1.00 0.00 C ATOM 713 C GLU A 48 -3.052 2.255 5.103 1.00 0.00 C ATOM 714 O GLU A 48 -2.885 1.132 5.575 1.00 0.00 O ATOM 715 CB GLU A 48 -2.379 4.138 6.640 1.00 0.00 C ATOM 716 CG GLU A 48 -3.841 4.586 6.631 1.00 0.00 C ATOM 717 CD GLU A 48 -4.292 5.015 8.029 1.00 0.00 C ATOM 718 OE1 GLU A 48 -3.681 5.971 8.554 1.00 0.00 O ATOM 719 OE2 GLU A 48 -5.237 4.377 8.541 1.00 0.00 O ATOM 0 H GLU A 48 -2.195 5.231 4.421 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.056 2.909 5.511 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.193 3.509 7.511 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.729 5.008 6.730 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.967 5.415 5.934 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.472 3.772 6.275 1.00 0.00 H new ATOM 726 N GLU A 49 -4.085 2.608 4.352 1.00 0.00 N ATOM 727 CA GLU A 49 -5.130 1.654 4.023 1.00 0.00 C ATOM 728 C GLU A 49 -4.559 0.507 3.187 1.00 0.00 C ATOM 729 O GLU A 49 -4.962 -0.644 3.347 1.00 0.00 O ATOM 730 CB GLU A 49 -6.288 2.339 3.294 1.00 0.00 C ATOM 731 CG GLU A 49 -6.928 3.416 4.172 1.00 0.00 C ATOM 732 CD GLU A 49 -8.339 3.007 4.601 1.00 0.00 C ATOM 733 OE1 GLU A 49 -8.430 2.112 5.469 1.00 0.00 O ATOM 734 OE2 GLU A 49 -9.293 3.597 4.051 1.00 0.00 O ATOM 0 H GLU A 49 -4.220 3.541 3.962 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.522 1.240 4.952 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.926 2.787 2.369 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.038 1.598 3.017 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.311 3.585 5.054 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.969 4.358 3.626 1.00 0.00 H new ATOM 741 N ALA A 50 -3.628 0.861 2.312 1.00 0.00 N ATOM 742 CA ALA A 50 -2.997 -0.124 1.451 1.00 0.00 C ATOM 743 C ALA A 50 -1.837 -0.782 2.201 1.00 0.00 C ATOM 744 O ALA A 50 -1.427 -1.893 1.866 1.00 0.00 O ATOM 745 CB ALA A 50 -2.545 0.547 0.153 1.00 0.00 C ATOM 0 H ALA A 50 -3.296 1.817 2.181 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.705 -0.909 1.183 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.071 -0.192 -0.493 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.409 0.973 -0.356 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.832 1.339 0.382 1.00 0.00 H new ATOM 751 N ARG A 51 -1.341 -0.069 3.202 1.00 0.00 N ATOM 752 CA ARG A 51 -0.236 -0.570 4.002 1.00 0.00 C ATOM 753 C ARG A 51 -0.630 -1.879 4.690 1.00 0.00 C ATOM 754 O ARG A 51 0.083 -2.876 4.589 1.00 0.00 O ATOM 755 CB ARG A 51 0.182 0.449 5.063 1.00 0.00 C ATOM 756 CG ARG A 51 1.174 1.463 4.489 1.00 0.00 C ATOM 757 CD ARG A 51 2.486 1.454 5.276 1.00 0.00 C ATOM 758 NE ARG A 51 3.433 0.490 4.672 1.00 0.00 N ATOM 759 CZ ARG A 51 4.753 0.490 4.900 1.00 0.00 C ATOM 760 NH1 ARG A 51 5.290 1.402 5.721 1.00 0.00 N ATOM 761 NH2 ARG A 51 5.535 -0.422 4.308 1.00 0.00 N ATOM 0 H ARG A 51 -1.684 0.851 3.477 1.00 0.00 H new ATOM 0 HA ARG A 51 0.605 -0.746 3.332 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.699 0.969 5.439 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.633 -0.067 5.910 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.372 1.231 3.443 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.736 2.461 4.517 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.924 2.452 5.280 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.294 1.186 6.315 1.00 0.00 H new ATOM 0 HE ARG A 51 3.057 -0.219 4.043 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.694 2.096 6.172 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.295 1.403 5.895 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.125 -1.117 3.683 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.540 -0.422 4.482 1.00 0.00 H new ATOM 775 N GLU A 52 -1.764 -1.834 5.373 1.00 0.00 N ATOM 776 CA GLU A 52 -2.261 -3.003 6.078 1.00 0.00 C ATOM 777 C GLU A 52 -2.396 -4.185 5.115 1.00 0.00 C ATOM 778 O GLU A 52 -2.124 -5.326 5.485 1.00 0.00 O ATOM 779 CB GLU A 52 -3.593 -2.703 6.768 1.00 0.00 C ATOM 780 CG GLU A 52 -4.621 -2.171 5.768 1.00 0.00 C ATOM 781 CD GLU A 52 -5.991 -2.000 6.428 1.00 0.00 C ATOM 782 OE1 GLU A 52 -6.691 -3.028 6.556 1.00 0.00 O ATOM 783 OE2 GLU A 52 -6.306 -0.846 6.789 1.00 0.00 O ATOM 0 H GLU A 52 -2.353 -1.005 5.453 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.541 -3.270 6.852 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.974 -3.609 7.240 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.439 -1.971 7.561 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.284 -1.214 5.369 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.703 -2.857 4.925 1.00 0.00 H new ATOM 790 N LEU A 53 -2.816 -3.870 3.898 1.00 0.00 N ATOM 791 CA LEU A 53 -2.991 -4.891 2.879 1.00 0.00 C ATOM 792 C LEU A 53 -1.720 -5.739 2.790 1.00 0.00 C ATOM 793 O LEU A 53 -1.765 -6.953 2.982 1.00 0.00 O ATOM 794 CB LEU A 53 -3.401 -4.256 1.549 1.00 0.00 C ATOM 795 CG LEU A 53 -4.873 -4.410 1.159 1.00 0.00 C ATOM 796 CD1 LEU A 53 -5.428 -3.102 0.591 1.00 0.00 C ATOM 797 CD2 LEU A 53 -5.065 -5.581 0.194 1.00 0.00 C ATOM 0 H LEU A 53 -3.040 -2.922 3.595 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.805 -5.563 3.149 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.165 -3.193 1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.789 -4.689 0.758 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.443 -4.639 2.059 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.475 -3.238 0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.345 -2.316 1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.859 -2.820 -0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.120 -5.668 -0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.481 -5.407 -0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.732 -6.503 0.670 1.00 0.00 H new ATOM 809 N LEU A 54 -0.617 -5.066 2.499 1.00 0.00 N ATOM 810 CA LEU A 54 0.664 -5.742 2.381 1.00 0.00 C ATOM 811 C LEU A 54 0.906 -6.586 3.634 1.00 0.00 C ATOM 812 O LEU A 54 1.540 -7.638 3.565 1.00 0.00 O ATOM 813 CB LEU A 54 1.778 -4.733 2.094 1.00 0.00 C ATOM 814 CG LEU A 54 1.722 -4.042 0.731 1.00 0.00 C ATOM 815 CD1 LEU A 54 3.126 -3.692 0.235 1.00 0.00 C ATOM 816 CD2 LEU A 54 0.951 -4.890 -0.283 1.00 0.00 C ATOM 0 H LEU A 54 -0.584 -4.059 2.341 1.00 0.00 H new ATOM 0 HA LEU A 54 0.658 -6.425 1.532 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.755 -3.967 2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.736 -5.245 2.180 1.00 0.00 H new ATOM 0 HG LEU A 54 1.178 -3.104 0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.057 -3.202 -0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.607 -3.021 0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.716 -4.604 0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.926 -4.375 -1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.445 -5.855 -0.401 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.068 -5.045 0.072 1.00 0.00 H new ATOM 828 N GLU A 55 0.389 -6.094 4.750 1.00 0.00 N ATOM 829 CA GLU A 55 0.541 -6.790 6.016 1.00 0.00 C ATOM 830 C GLU A 55 -0.334 -8.044 6.041 1.00 0.00 C ATOM 831 O GLU A 55 0.126 -9.119 6.422 1.00 0.00 O ATOM 832 CB GLU A 55 0.212 -5.868 7.192 1.00 0.00 C ATOM 833 CG GLU A 55 1.443 -5.639 8.071 1.00 0.00 C ATOM 834 CD GLU A 55 1.093 -5.789 9.554 1.00 0.00 C ATOM 835 OE1 GLU A 55 0.226 -5.015 10.013 1.00 0.00 O ATOM 836 OE2 GLU A 55 1.701 -6.675 10.193 1.00 0.00 O ATOM 0 H GLU A 55 -0.136 -5.221 4.804 1.00 0.00 H new ATOM 0 HA GLU A 55 1.582 -7.096 6.117 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.155 -4.912 6.818 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.589 -6.305 7.788 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.223 -6.352 7.804 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.845 -4.643 7.887 1.00 0.00 H new ATOM 843 N GLN A 56 -1.581 -7.865 5.631 1.00 0.00 N ATOM 844 CA GLN A 56 -2.525 -8.969 5.601 1.00 0.00 C ATOM 845 C GLN A 56 -2.147 -9.961 4.500 1.00 0.00 C ATOM 846 O GLN A 56 -2.058 -11.163 4.746 1.00 0.00 O ATOM 847 CB GLN A 56 -3.957 -8.462 5.414 1.00 0.00 C ATOM 848 CG GLN A 56 -4.481 -7.816 6.698 1.00 0.00 C ATOM 849 CD GLN A 56 -5.311 -8.810 7.513 1.00 0.00 C ATOM 850 OE1 GLN A 56 -6.457 -9.098 7.208 1.00 0.00 O ATOM 851 NE2 GLN A 56 -4.672 -9.317 8.563 1.00 0.00 N ATOM 0 H GLN A 56 -1.960 -6.972 5.317 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.480 -9.486 6.560 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -3.987 -7.738 4.600 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.606 -9.290 5.128 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -3.644 -7.459 7.297 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.089 -6.946 6.450 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.713 -9.033 8.762 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.141 -9.990 9.169 1.00 0.00 H new ATOM 860 N MET A 57 -1.935 -9.422 3.308 1.00 0.00 N ATOM 861 CA MET A 57 -1.569 -10.245 2.168 1.00 0.00 C ATOM 862 C MET A 57 -0.363 -11.128 2.495 1.00 0.00 C ATOM 863 O MET A 57 -0.333 -12.303 2.131 1.00 0.00 O ATOM 864 CB MET A 57 -1.236 -9.346 0.976 1.00 0.00 C ATOM 865 CG MET A 57 -2.479 -8.600 0.487 1.00 0.00 C ATOM 866 SD MET A 57 -2.291 -8.159 -1.232 1.00 0.00 S ATOM 867 CE MET A 57 -1.462 -6.588 -1.060 1.00 0.00 C ATOM 0 H MET A 57 -2.010 -8.425 3.107 1.00 0.00 H new ATOM 0 HA MET A 57 -2.412 -10.890 1.923 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.466 -8.629 1.261 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.827 -9.948 0.165 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.362 -9.225 0.616 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.634 -7.703 1.086 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.127 -5.788 -1.387 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.192 -6.432 -0.016 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.560 -6.583 -1.673 1.00 0.00 H new ATOM 877 N ASP A 58 0.602 -10.528 3.177 1.00 0.00 N ATOM 878 CA ASP A 58 1.807 -11.246 3.556 1.00 0.00 C ATOM 879 C ASP A 58 1.479 -12.223 4.686 1.00 0.00 C ATOM 880 O ASP A 58 2.028 -13.323 4.740 1.00 0.00 O ATOM 881 CB ASP A 58 2.885 -10.284 4.061 1.00 0.00 C ATOM 882 CG ASP A 58 4.302 -10.859 4.089 1.00 0.00 C ATOM 883 OD1 ASP A 58 4.642 -11.580 3.126 1.00 0.00 O ATOM 884 OD2 ASP A 58 5.014 -10.564 5.074 1.00 0.00 O ATOM 0 H ASP A 58 0.574 -9.553 3.477 1.00 0.00 H new ATOM 0 HA ASP A 58 2.177 -11.773 2.676 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.882 -9.395 3.430 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.620 -9.961 5.068 1.00 0.00 H new ATOM 889 N LEU A 59 0.585 -11.787 5.562 1.00 0.00 N ATOM 890 CA LEU A 59 0.178 -12.610 6.688 1.00 0.00 C ATOM 891 C LEU A 59 -0.706 -13.754 6.185 1.00 0.00 C ATOM 892 O LEU A 59 -1.054 -14.655 6.946 1.00 0.00 O ATOM 893 CB LEU A 59 -0.484 -11.751 7.768 1.00 0.00 C ATOM 894 CG LEU A 59 0.447 -11.203 8.851 1.00 0.00 C ATOM 895 CD1 LEU A 59 0.128 -9.738 9.157 1.00 0.00 C ATOM 896 CD2 LEU A 59 0.399 -12.074 10.108 1.00 0.00 C ATOM 0 H LEU A 59 0.131 -10.875 5.514 1.00 0.00 H new ATOM 0 HA LEU A 59 1.048 -13.063 7.162 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.979 -10.910 7.283 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.261 -12.344 8.250 1.00 0.00 H new ATOM 0 HG LEU A 59 1.469 -11.239 8.473 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.804 -9.372 9.930 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.254 -9.142 8.253 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.901 -9.655 9.506 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.070 -11.662 10.862 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.618 -12.093 10.499 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.711 -13.088 9.860 1.00 0.00 H new ATOM 908 N GLU A 60 -1.044 -13.679 4.906 1.00 0.00 N ATOM 909 CA GLU A 60 -1.880 -14.697 4.292 1.00 0.00 C ATOM 910 C GLU A 60 -1.045 -15.580 3.362 1.00 0.00 C ATOM 911 O GLU A 60 -1.094 -16.805 3.454 1.00 0.00 O ATOM 912 CB GLU A 60 -3.052 -14.063 3.541 1.00 0.00 C ATOM 913 CG GLU A 60 -4.053 -13.438 4.515 1.00 0.00 C ATOM 914 CD GLU A 60 -5.355 -14.241 4.554 1.00 0.00 C ATOM 915 OE1 GLU A 60 -5.940 -14.427 3.465 1.00 0.00 O ATOM 916 OE2 GLU A 60 -5.736 -14.650 5.672 1.00 0.00 O ATOM 0 H GLU A 60 -0.754 -12.929 4.278 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.294 -15.325 5.081 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.680 -13.300 2.857 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.552 -14.819 2.935 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.617 -13.397 5.513 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.264 -12.411 4.216 1.00 0.00 H new ATOM 923 N VAL A 61 -0.299 -14.922 2.487 1.00 0.00 N ATOM 924 CA VAL A 61 0.545 -15.632 1.540 1.00 0.00 C ATOM 925 C VAL A 61 1.319 -16.728 2.276 1.00 0.00 C ATOM 926 O VAL A 61 1.709 -17.727 1.674 1.00 0.00 O ATOM 927 CB VAL A 61 1.456 -14.644 0.809 1.00 0.00 C ATOM 928 CG1 VAL A 61 2.858 -15.228 0.621 1.00 0.00 C ATOM 929 CG2 VAL A 61 0.850 -14.229 -0.533 1.00 0.00 C ATOM 0 H VAL A 61 -0.261 -13.905 2.414 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.062 -16.119 0.777 1.00 0.00 H new ATOM 0 HB VAL A 61 1.545 -13.750 1.426 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.486 -14.506 0.099 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.293 -15.450 1.595 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.795 -16.145 0.035 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.518 -13.527 -1.032 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.716 -15.111 -1.160 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.116 -13.754 -0.364 1.00 0.00 H new ATOM 939 N ARG A 62 1.518 -16.503 3.566 1.00 0.00 N ATOM 940 CA ARG A 62 2.238 -17.459 4.390 1.00 0.00 C ATOM 941 C ARG A 62 1.493 -18.795 4.427 1.00 0.00 C ATOM 942 O ARG A 62 2.114 -19.857 4.392 1.00 0.00 O ATOM 943 CB ARG A 62 2.407 -16.937 5.818 1.00 0.00 C ATOM 944 CG ARG A 62 3.880 -16.669 6.133 1.00 0.00 C ATOM 945 CD ARG A 62 4.096 -16.490 7.637 1.00 0.00 C ATOM 946 NE ARG A 62 5.164 -17.400 8.107 1.00 0.00 N ATOM 947 CZ ARG A 62 5.574 -17.484 9.380 1.00 0.00 C ATOM 948 NH1 ARG A 62 5.007 -16.713 10.318 1.00 0.00 N ATOM 949 NH2 ARG A 62 6.550 -18.339 9.715 1.00 0.00 N ATOM 0 H ARG A 62 1.193 -15.673 4.061 1.00 0.00 H new ATOM 0 HA ARG A 62 3.224 -17.602 3.948 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.832 -16.020 5.944 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.007 -17.664 6.525 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.489 -17.497 5.771 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.211 -15.775 5.606 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.366 -15.456 7.853 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.169 -16.696 8.173 1.00 0.00 H new ATOM 0 HE ARG A 62 5.617 -18.001 7.419 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.264 -16.063 10.063 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.319 -16.776 11.287 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.981 -18.926 9.001 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.862 -18.403 10.684 1.00 0.00 H new ATOM 963 N GLU A 63 0.174 -18.699 4.498 1.00 0.00 N ATOM 964 CA GLU A 63 -0.662 -19.887 4.540 1.00 0.00 C ATOM 965 C GLU A 63 -0.633 -20.605 3.189 1.00 0.00 C ATOM 966 O GLU A 63 -0.602 -21.833 3.135 1.00 0.00 O ATOM 967 CB GLU A 63 -2.095 -19.535 4.943 1.00 0.00 C ATOM 968 CG GLU A 63 -3.104 -20.427 4.216 1.00 0.00 C ATOM 969 CD GLU A 63 -2.900 -21.898 4.586 1.00 0.00 C ATOM 970 OE1 GLU A 63 -2.707 -22.158 5.793 1.00 0.00 O ATOM 971 OE2 GLU A 63 -2.942 -22.729 3.653 1.00 0.00 O ATOM 0 H GLU A 63 -0.337 -17.817 4.528 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.262 -20.562 5.297 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.212 -19.650 6.021 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.295 -18.489 4.711 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.118 -20.121 4.473 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.997 -20.301 3.139 1.00 0.00 H new ATOM 978 N ILE A 64 -0.643 -19.807 2.131 1.00 0.00 N ATOM 979 CA ILE A 64 -0.618 -20.351 0.784 1.00 0.00 C ATOM 980 C ILE A 64 0.432 -21.461 0.706 1.00 0.00 C ATOM 981 O ILE A 64 1.494 -21.360 1.317 1.00 0.00 O ATOM 982 CB ILE A 64 -0.409 -19.234 -0.241 1.00 0.00 C ATOM 983 CG1 ILE A 64 -1.561 -18.228 -0.198 1.00 0.00 C ATOM 984 CG2 ILE A 64 -0.203 -19.809 -1.644 1.00 0.00 C ATOM 985 CD1 ILE A 64 -1.621 -17.407 -1.488 1.00 0.00 C ATOM 0 H ILE A 64 -0.668 -18.788 2.180 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.579 -20.803 0.538 1.00 0.00 H new ATOM 0 HB ILE A 64 0.500 -18.694 0.023 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.504 -18.756 -0.054 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.435 -17.562 0.656 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.057 -18.994 -2.353 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.675 -20.455 -1.647 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.080 -20.388 -1.932 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.449 -16.700 -1.431 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.686 -16.862 -1.616 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.771 -18.074 -2.337 1.00 0.00 H new ATOM 997 N PRO A 65 0.089 -22.523 -0.071 1.00 0.00 N ATOM 998 CA PRO A 65 0.989 -23.651 -0.237 1.00 0.00 C ATOM 999 C PRO A 65 2.146 -23.297 -1.173 1.00 0.00 C ATOM 1000 O PRO A 65 2.050 -22.352 -1.955 1.00 0.00 O ATOM 1001 CB PRO A 65 0.117 -24.776 -0.771 1.00 0.00 C ATOM 1002 CG PRO A 65 -1.132 -24.109 -1.322 1.00 0.00 C ATOM 1003 CD PRO A 65 -1.161 -22.678 -0.810 1.00 0.00 C ATOM 0 HA PRO A 65 1.469 -23.946 0.696 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.636 -25.337 -1.549 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.134 -25.484 0.019 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.124 -24.124 -2.412 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -2.025 -24.647 -1.002 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.226 -21.965 -1.632 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.025 -22.505 -0.168 1.00 0.00 H new ATOM 1011 N PRO A 66 3.243 -24.093 -1.059 1.00 0.00 N ATOM 1012 CA PRO A 66 4.417 -23.873 -1.886 1.00 0.00 C ATOM 1013 C PRO A 66 4.176 -24.350 -3.320 1.00 0.00 C ATOM 1014 O PRO A 66 4.885 -25.225 -3.814 1.00 0.00 O ATOM 1015 CB PRO A 66 5.537 -24.628 -1.189 1.00 0.00 C ATOM 1016 CG PRO A 66 4.855 -25.620 -0.261 1.00 0.00 C ATOM 1017 CD PRO A 66 3.393 -25.221 -0.144 1.00 0.00 C ATOM 0 HA PRO A 66 4.669 -22.817 -1.986 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.171 -25.141 -1.912 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.178 -23.947 -0.630 1.00 0.00 H new ATOM 0 HG2 PRO A 66 4.944 -26.633 -0.654 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.331 -25.615 0.719 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.734 -26.045 -0.419 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.140 -24.938 0.878 1.00 0.00 H new ATOM 1025 N GLN A 67 3.173 -23.753 -3.947 1.00 0.00 N ATOM 1026 CA GLN A 67 2.830 -24.106 -5.314 1.00 0.00 C ATOM 1027 C GLN A 67 1.860 -23.078 -5.900 1.00 0.00 C ATOM 1028 O GLN A 67 1.999 -22.677 -7.055 1.00 0.00 O ATOM 1029 CB GLN A 67 2.242 -25.517 -5.385 1.00 0.00 C ATOM 1030 CG GLN A 67 2.400 -26.107 -6.788 1.00 0.00 C ATOM 1031 CD GLN A 67 2.777 -27.588 -6.720 1.00 0.00 C ATOM 1032 OE1 GLN A 67 3.882 -27.990 -7.043 1.00 0.00 O ATOM 1033 NE2 GLN A 67 1.799 -28.376 -6.282 1.00 0.00 N ATOM 0 H GLN A 67 2.587 -23.027 -3.534 1.00 0.00 H new ATOM 0 HA GLN A 67 3.742 -24.098 -5.911 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.740 -26.159 -4.658 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.186 -25.489 -5.115 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.469 -25.990 -7.343 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.167 -25.557 -7.333 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.896 -27.975 -6.028 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.952 -29.381 -6.200 1.00 0.00 H new ATOM 1042 N SER A 68 0.901 -22.681 -5.078 1.00 0.00 N ATOM 1043 CA SER A 68 -0.092 -21.707 -5.500 1.00 0.00 C ATOM 1044 C SER A 68 0.481 -20.293 -5.385 1.00 0.00 C ATOM 1045 O SER A 68 0.015 -19.374 -6.057 1.00 0.00 O ATOM 1046 CB SER A 68 -1.372 -21.830 -4.672 1.00 0.00 C ATOM 1047 OG SER A 68 -2.298 -20.787 -4.963 1.00 0.00 O ATOM 0 H SER A 68 0.790 -23.016 -4.121 1.00 0.00 H new ATOM 0 HA SER A 68 -0.345 -21.906 -6.541 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.839 -22.795 -4.868 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.121 -21.807 -3.611 1.00 0.00 H new ATOM 0 HG SER A 68 -3.103 -20.902 -4.415 1.00 0.00 H new ATOM 1053 N ARG A 69 1.484 -20.163 -4.529 1.00 0.00 N ATOM 1054 CA ARG A 69 2.125 -18.876 -4.317 1.00 0.00 C ATOM 1055 C ARG A 69 2.612 -18.300 -5.648 1.00 0.00 C ATOM 1056 O ARG A 69 1.990 -17.396 -6.203 1.00 0.00 O ATOM 1057 CB ARG A 69 3.311 -19.003 -3.359 1.00 0.00 C ATOM 1058 CG ARG A 69 2.931 -18.536 -1.952 1.00 0.00 C ATOM 1059 CD ARG A 69 4.158 -18.494 -1.039 1.00 0.00 C ATOM 1060 NE ARG A 69 4.653 -17.104 -0.920 1.00 0.00 N ATOM 1061 CZ ARG A 69 5.621 -16.721 -0.076 1.00 0.00 C ATOM 1062 NH1 ARG A 69 6.203 -17.620 0.729 1.00 0.00 N ATOM 1063 NH2 ARG A 69 6.006 -15.438 -0.036 1.00 0.00 N ATOM 0 H ARG A 69 1.869 -20.928 -3.974 1.00 0.00 H new ATOM 0 HA ARG A 69 1.387 -18.206 -3.876 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.646 -20.040 -3.324 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.148 -18.410 -3.729 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.477 -17.546 -2.003 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.183 -19.208 -1.531 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.902 -18.883 -0.054 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.943 -19.135 -1.441 1.00 0.00 H new ATOM 0 HE ARG A 69 4.231 -16.393 -1.518 1.00 0.00 H new ATOM 0 HH11 ARG A 69 5.909 -18.596 0.700 1.00 0.00 H new ATOM 0 HH12 ARG A 69 6.940 -17.328 1.371 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.562 -14.753 -0.648 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.743 -15.146 0.606 1.00 0.00 H new ATOM 1077 N GLY A 70 3.722 -18.848 -6.122 1.00 0.00 N ATOM 1078 CA GLY A 70 4.300 -18.400 -7.377 1.00 0.00 C ATOM 1079 C GLY A 70 4.242 -16.876 -7.495 1.00 0.00 C ATOM 1080 O GLY A 70 5.094 -16.175 -6.951 1.00 0.00 O ATOM 0 H GLY A 70 4.236 -19.598 -5.659 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.335 -18.734 -7.444 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.764 -18.853 -8.211 1.00 0.00 H new ATOM 1084 N MET A 71 3.229 -16.408 -8.209 1.00 0.00 N ATOM 1085 CA MET A 71 3.048 -14.980 -8.405 1.00 0.00 C ATOM 1086 C MET A 71 3.061 -14.237 -7.068 1.00 0.00 C ATOM 1087 O MET A 71 3.963 -13.445 -6.802 1.00 0.00 O ATOM 1088 CB MET A 71 1.718 -14.726 -9.118 1.00 0.00 C ATOM 1089 CG MET A 71 1.822 -15.061 -10.608 1.00 0.00 C ATOM 1090 SD MET A 71 2.950 -13.934 -11.409 1.00 0.00 S ATOM 1091 CE MET A 71 2.888 -14.566 -13.077 1.00 0.00 C ATOM 0 H MET A 71 2.525 -16.993 -8.659 1.00 0.00 H new ATOM 0 HA MET A 71 3.873 -14.609 -9.013 1.00 0.00 H new ATOM 0 HB2 MET A 71 0.934 -15.329 -8.660 1.00 0.00 H new ATOM 0 HB3 MET A 71 1.429 -13.682 -8.996 1.00 0.00 H new ATOM 0 HG2 MET A 71 2.168 -16.087 -10.735 1.00 0.00 H new ATOM 0 HG3 MET A 71 0.838 -14.996 -11.073 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.541 -13.972 -13.716 1.00 0.00 H new ATOM 0 HE2 MET A 71 3.219 -15.604 -13.085 1.00 0.00 H new ATOM 0 HE3 MET A 71 1.865 -14.509 -13.450 1.00 0.00 H new ATOM 1101 N TYR A 72 2.048 -14.519 -6.261 1.00 0.00 N ATOM 1102 CA TYR A 72 1.931 -13.887 -4.958 1.00 0.00 C ATOM 1103 C TYR A 72 3.304 -13.721 -4.304 1.00 0.00 C ATOM 1104 O TYR A 72 3.595 -12.679 -3.718 1.00 0.00 O ATOM 1105 CB TYR A 72 1.084 -14.834 -4.105 1.00 0.00 C ATOM 1106 CG TYR A 72 0.025 -14.127 -3.257 1.00 0.00 C ATOM 1107 CD1 TYR A 72 0.232 -12.830 -2.834 1.00 0.00 C ATOM 1108 CD2 TYR A 72 -1.137 -14.788 -2.914 1.00 0.00 C ATOM 1109 CE1 TYR A 72 -0.765 -12.165 -2.035 1.00 0.00 C ATOM 1110 CE2 TYR A 72 -2.134 -14.123 -2.115 1.00 0.00 C ATOM 1111 CZ TYR A 72 -1.899 -12.845 -1.715 1.00 0.00 C ATOM 1112 OH TYR A 72 -2.840 -12.217 -0.961 1.00 0.00 O ATOM 0 H TYR A 72 1.301 -15.177 -6.485 1.00 0.00 H new ATOM 0 HA TYR A 72 1.486 -12.896 -5.050 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.591 -15.553 -4.759 1.00 0.00 H new ATOM 0 HB3 TYR A 72 1.742 -15.401 -3.447 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.142 -12.313 -3.102 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.299 -15.803 -3.245 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -0.616 -11.150 -1.698 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -3.048 -14.628 -1.840 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.596 -12.822 -0.811 1.00 0.00 H new ATOM 1122 N SER A 73 4.112 -14.764 -4.426 1.00 0.00 N ATOM 1123 CA SER A 73 5.448 -14.747 -3.853 1.00 0.00 C ATOM 1124 C SER A 73 6.265 -13.607 -4.466 1.00 0.00 C ATOM 1125 O SER A 73 6.841 -12.795 -3.744 1.00 0.00 O ATOM 1126 CB SER A 73 6.157 -16.085 -4.071 1.00 0.00 C ATOM 1127 OG SER A 73 7.124 -16.347 -3.058 1.00 0.00 O ATOM 0 H SER A 73 3.868 -15.626 -4.913 1.00 0.00 H new ATOM 0 HA SER A 73 5.358 -14.585 -2.779 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.420 -16.888 -4.085 1.00 0.00 H new ATOM 0 HB3 SER A 73 6.645 -16.083 -5.046 1.00 0.00 H new ATOM 0 HG SER A 73 7.554 -17.211 -3.231 1.00 0.00 H new ATOM 1133 N ASN A 74 6.288 -13.584 -5.790 1.00 0.00 N ATOM 1134 CA ASN A 74 7.025 -12.557 -6.507 1.00 0.00 C ATOM 1135 C ASN A 74 6.289 -11.223 -6.378 1.00 0.00 C ATOM 1136 O ASN A 74 6.817 -10.272 -5.803 1.00 0.00 O ATOM 1137 CB ASN A 74 7.133 -12.895 -7.996 1.00 0.00 C ATOM 1138 CG ASN A 74 7.663 -11.701 -8.792 1.00 0.00 C ATOM 1139 OD1 ASN A 74 8.666 -11.093 -8.455 1.00 0.00 O ATOM 1140 ND2 ASN A 74 6.937 -11.400 -9.864 1.00 0.00 N ATOM 0 H ASN A 74 5.809 -14.260 -6.385 1.00 0.00 H new ATOM 0 HA ASN A 74 8.025 -12.497 -6.077 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.796 -13.750 -8.131 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.155 -13.186 -8.378 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.209 -10.619 -10.461 1.00 0.00 H new ATOM 0 HD22 ASN A 74 6.108 -11.950 -10.089 1.00 0.00 H new ATOM 1147 N ARG A 75 5.081 -11.194 -6.921 1.00 0.00 N ATOM 1148 CA ARG A 75 4.267 -9.992 -6.873 1.00 0.00 C ATOM 1149 C ARG A 75 4.418 -9.302 -5.516 1.00 0.00 C ATOM 1150 O ARG A 75 4.390 -8.075 -5.432 1.00 0.00 O ATOM 1151 CB ARG A 75 2.790 -10.316 -7.111 1.00 0.00 C ATOM 1152 CG ARG A 75 2.585 -10.962 -8.483 1.00 0.00 C ATOM 1153 CD ARG A 75 1.393 -10.337 -9.210 1.00 0.00 C ATOM 1154 NE ARG A 75 1.819 -9.110 -9.920 1.00 0.00 N ATOM 1155 CZ ARG A 75 2.409 -9.105 -11.123 1.00 0.00 C ATOM 1156 NH1 ARG A 75 2.646 -10.261 -11.758 1.00 0.00 N ATOM 1157 NH2 ARG A 75 2.762 -7.944 -11.691 1.00 0.00 N ATOM 0 H ARG A 75 4.646 -11.985 -7.397 1.00 0.00 H new ATOM 0 HA ARG A 75 4.613 -9.326 -7.664 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.431 -10.988 -6.331 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.198 -9.403 -7.043 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.486 -10.841 -9.084 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.422 -12.033 -8.364 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.974 -11.051 -9.920 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.605 -10.099 -8.495 1.00 0.00 H new ATOM 0 HE ARG A 75 1.653 -8.212 -9.465 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.377 -11.145 -11.326 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.095 -10.257 -12.674 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.582 -7.064 -11.208 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.211 -7.940 -12.607 1.00 0.00 H new ATOM 1171 N MET A 76 4.575 -10.121 -4.486 1.00 0.00 N ATOM 1172 CA MET A 76 4.731 -9.605 -3.137 1.00 0.00 C ATOM 1173 C MET A 76 5.928 -8.656 -3.047 1.00 0.00 C ATOM 1174 O MET A 76 5.771 -7.481 -2.721 1.00 0.00 O ATOM 1175 CB MET A 76 4.928 -10.769 -2.164 1.00 0.00 C ATOM 1176 CG MET A 76 3.630 -11.087 -1.420 1.00 0.00 C ATOM 1177 SD MET A 76 3.488 -10.055 0.029 1.00 0.00 S ATOM 1178 CE MET A 76 1.856 -9.379 -0.230 1.00 0.00 C ATOM 0 H MET A 76 4.597 -11.138 -4.559 1.00 0.00 H new ATOM 0 HA MET A 76 3.831 -9.049 -2.875 1.00 0.00 H new ATOM 0 HB2 MET A 76 5.264 -11.651 -2.710 1.00 0.00 H new ATOM 0 HB3 MET A 76 5.711 -10.520 -1.447 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.776 -10.925 -2.077 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.615 -12.138 -1.131 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.483 -8.960 0.705 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.903 -8.595 -0.986 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.184 -10.169 -0.567 1.00 0.00 H new ATOM 1188 N ARG A 77 7.098 -9.203 -3.343 1.00 0.00 N ATOM 1189 CA ARG A 77 8.322 -8.420 -3.300 1.00 0.00 C ATOM 1190 C ARG A 77 8.184 -7.172 -4.173 1.00 0.00 C ATOM 1191 O ARG A 77 8.792 -6.141 -3.889 1.00 0.00 O ATOM 1192 CB ARG A 77 9.519 -9.242 -3.782 1.00 0.00 C ATOM 1193 CG ARG A 77 9.669 -9.153 -5.302 1.00 0.00 C ATOM 1194 CD ARG A 77 10.471 -7.913 -5.702 1.00 0.00 C ATOM 1195 NE ARG A 77 11.657 -8.312 -6.494 1.00 0.00 N ATOM 1196 CZ ARG A 77 12.825 -8.690 -5.958 1.00 0.00 C ATOM 1197 NH1 ARG A 77 12.972 -8.724 -4.626 1.00 0.00 N ATOM 1198 NH2 ARG A 77 13.847 -9.034 -6.753 1.00 0.00 N ATOM 0 H ARG A 77 7.225 -10.178 -3.613 1.00 0.00 H new ATOM 0 HA ARG A 77 8.492 -8.126 -2.264 1.00 0.00 H new ATOM 0 HB2 ARG A 77 10.429 -8.882 -3.302 1.00 0.00 H new ATOM 0 HB3 ARG A 77 9.393 -10.283 -3.486 1.00 0.00 H new ATOM 0 HG2 ARG A 77 10.167 -10.048 -5.675 1.00 0.00 H new ATOM 0 HG3 ARG A 77 8.684 -9.119 -5.767 1.00 0.00 H new ATOM 0 HD2 ARG A 77 9.845 -7.237 -6.284 1.00 0.00 H new ATOM 0 HD3 ARG A 77 10.784 -7.369 -4.811 1.00 0.00 H new ATOM 0 HE ARG A 77 11.580 -8.298 -7.511 1.00 0.00 H new ATOM 0 HH11 ARG A 77 12.194 -8.462 -4.020 1.00 0.00 H new ATOM 0 HH12 ARG A 77 13.862 -9.012 -4.218 1.00 0.00 H new ATOM 0 HH21 ARG A 77 13.736 -9.008 -7.767 1.00 0.00 H new ATOM 0 HH22 ARG A 77 14.736 -9.322 -6.345 1.00 0.00 H new ATOM 1212 N SER A 78 7.382 -7.305 -5.219 1.00 0.00 N ATOM 1213 CA SER A 78 7.157 -6.201 -6.136 1.00 0.00 C ATOM 1214 C SER A 78 6.215 -5.176 -5.500 1.00 0.00 C ATOM 1215 O SER A 78 6.546 -3.995 -5.412 1.00 0.00 O ATOM 1216 CB SER A 78 6.583 -6.696 -7.465 1.00 0.00 C ATOM 1217 OG SER A 78 7.490 -6.499 -8.545 1.00 0.00 O ATOM 0 H SER A 78 6.880 -8.162 -5.452 1.00 0.00 H new ATOM 0 HA SER A 78 8.116 -5.726 -6.340 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.342 -7.756 -7.383 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.651 -6.172 -7.675 1.00 0.00 H new ATOM 0 HG SER A 78 7.087 -6.829 -9.375 1.00 0.00 H new ATOM 1223 N TYR A 79 5.061 -5.666 -5.073 1.00 0.00 N ATOM 1224 CA TYR A 79 4.069 -4.808 -4.447 1.00 0.00 C ATOM 1225 C TYR A 79 4.709 -3.917 -3.381 1.00 0.00 C ATOM 1226 O TYR A 79 4.267 -2.790 -3.162 1.00 0.00 O ATOM 1227 CB TYR A 79 3.064 -5.745 -3.775 1.00 0.00 C ATOM 1228 CG TYR A 79 2.074 -6.395 -4.745 1.00 0.00 C ATOM 1229 CD1 TYR A 79 1.536 -5.657 -5.779 1.00 0.00 C ATOM 1230 CD2 TYR A 79 1.721 -7.720 -4.585 1.00 0.00 C ATOM 1231 CE1 TYR A 79 0.605 -6.268 -6.691 1.00 0.00 C ATOM 1232 CE2 TYR A 79 0.790 -8.331 -5.498 1.00 0.00 C ATOM 1233 CZ TYR A 79 0.278 -7.575 -6.506 1.00 0.00 C ATOM 1234 OH TYR A 79 -0.602 -8.153 -7.368 1.00 0.00 O ATOM 0 H TYR A 79 4.790 -6.647 -5.148 1.00 0.00 H new ATOM 0 HA TYR A 79 3.603 -4.157 -5.187 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.609 -6.529 -3.249 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.507 -5.185 -3.024 1.00 0.00 H new ATOM 0 HD1 TYR A 79 1.813 -4.621 -5.904 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.143 -8.298 -3.776 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.176 -5.701 -7.504 1.00 0.00 H new ATOM 0 HE2 TYR A 79 0.505 -9.366 -5.385 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.243 -8.111 -8.279 1.00 0.00 H new ATOM 1244 N LYS A 80 5.740 -4.456 -2.746 1.00 0.00 N ATOM 1245 CA LYS A 80 6.445 -3.724 -1.708 1.00 0.00 C ATOM 1246 C LYS A 80 7.364 -2.686 -2.357 1.00 0.00 C ATOM 1247 O LYS A 80 7.595 -1.617 -1.793 1.00 0.00 O ATOM 1248 CB LYS A 80 7.173 -4.690 -0.771 1.00 0.00 C ATOM 1249 CG LYS A 80 6.178 -5.482 0.079 1.00 0.00 C ATOM 1250 CD LYS A 80 6.907 -6.385 1.077 1.00 0.00 C ATOM 1251 CE LYS A 80 5.923 -7.026 2.057 1.00 0.00 C ATOM 1252 NZ LYS A 80 6.254 -8.453 2.266 1.00 0.00 N ATOM 0 H LYS A 80 6.104 -5.391 -2.931 1.00 0.00 H new ATOM 0 HA LYS A 80 5.740 -3.179 -1.080 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.786 -5.377 -1.355 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.849 -4.133 -0.122 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.524 -4.794 0.615 1.00 0.00 H new ATOM 0 HG3 LYS A 80 5.542 -6.087 -0.568 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.450 -7.163 0.540 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.646 -5.803 1.627 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.952 -6.497 3.009 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.907 -6.935 1.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.727 -8.815 3.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.993 -8.997 1.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.275 -8.551 2.440 1.00 0.00 H new ATOM 1266 N GLN A 81 7.865 -3.038 -3.532 1.00 0.00 N ATOM 1267 CA GLN A 81 8.754 -2.151 -4.263 1.00 0.00 C ATOM 1268 C GLN A 81 8.054 -0.823 -4.556 1.00 0.00 C ATOM 1269 O GLN A 81 8.684 0.233 -4.535 1.00 0.00 O ATOM 1270 CB GLN A 81 9.245 -2.809 -5.554 1.00 0.00 C ATOM 1271 CG GLN A 81 8.424 -2.338 -6.756 1.00 0.00 C ATOM 1272 CD GLN A 81 8.892 -0.962 -7.234 1.00 0.00 C ATOM 1273 OE1 GLN A 81 9.892 -0.427 -6.784 1.00 0.00 O ATOM 1274 NE2 GLN A 81 8.115 -0.421 -8.168 1.00 0.00 N ATOM 0 H GLN A 81 7.672 -3.926 -3.996 1.00 0.00 H new ATOM 0 HA GLN A 81 9.627 -1.950 -3.642 1.00 0.00 H new ATOM 0 HB2 GLN A 81 10.297 -2.570 -5.711 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.175 -3.893 -5.463 1.00 0.00 H new ATOM 0 HG2 GLN A 81 8.515 -3.059 -7.568 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.369 -2.294 -6.486 1.00 0.00 H new ATOM 0 HE21 GLN A 81 7.292 -0.923 -8.500 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.342 0.496 -8.552 1.00 0.00 H new ATOM 1283 N GLU A 82 6.760 -0.918 -4.824 1.00 0.00 N ATOM 1284 CA GLU A 82 5.967 0.263 -5.122 1.00 0.00 C ATOM 1285 C GLU A 82 5.491 0.923 -3.826 1.00 0.00 C ATOM 1286 O GLU A 82 5.675 2.123 -3.633 1.00 0.00 O ATOM 1287 CB GLU A 82 4.784 -0.085 -6.027 1.00 0.00 C ATOM 1288 CG GLU A 82 4.121 1.182 -6.572 1.00 0.00 C ATOM 1289 CD GLU A 82 4.832 1.674 -7.834 1.00 0.00 C ATOM 1290 OE1 GLU A 82 5.346 0.805 -8.572 1.00 0.00 O ATOM 1291 OE2 GLU A 82 4.847 2.908 -8.032 1.00 0.00 O ATOM 0 H GLU A 82 6.240 -1.795 -4.841 1.00 0.00 H new ATOM 0 HA GLU A 82 6.596 0.973 -5.659 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.125 -0.707 -6.855 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.054 -0.671 -5.468 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.073 0.981 -6.796 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.141 1.963 -5.812 1.00 0.00 H new ATOM 1298 N MET A 83 4.888 0.109 -2.972 1.00 0.00 N ATOM 1299 CA MET A 83 4.384 0.599 -1.700 1.00 0.00 C ATOM 1300 C MET A 83 5.408 1.509 -1.018 1.00 0.00 C ATOM 1301 O MET A 83 5.135 2.683 -0.775 1.00 0.00 O ATOM 1302 CB MET A 83 4.066 -0.586 -0.786 1.00 0.00 C ATOM 1303 CG MET A 83 2.698 -0.415 -0.123 1.00 0.00 C ATOM 1304 SD MET A 83 2.845 0.629 1.317 1.00 0.00 S ATOM 1305 CE MET A 83 1.524 1.786 0.997 1.00 0.00 C ATOM 0 H MET A 83 4.737 -0.886 -3.136 1.00 0.00 H new ATOM 0 HA MET A 83 3.480 1.178 -1.888 1.00 0.00 H new ATOM 0 HB2 MET A 83 4.081 -1.510 -1.364 1.00 0.00 H new ATOM 0 HB3 MET A 83 4.836 -0.676 -0.020 1.00 0.00 H new ATOM 0 HG2 MET A 83 1.994 0.024 -0.830 1.00 0.00 H new ATOM 0 HG3 MET A 83 2.299 -1.388 0.162 1.00 0.00 H new ATOM 0 HE1 MET A 83 1.542 2.576 1.748 1.00 0.00 H new ATOM 0 HE2 MET A 83 1.655 2.224 0.007 1.00 0.00 H new ATOM 0 HE3 MET A 83 0.567 1.266 1.040 1.00 0.00 H new ATOM 1315 N GLY A 84 6.565 0.932 -0.730 1.00 0.00 N ATOM 1316 CA GLY A 84 7.631 1.676 -0.081 1.00 0.00 C ATOM 1317 C GLY A 84 7.945 2.964 -0.845 1.00 0.00 C ATOM 1318 O GLY A 84 8.131 4.019 -0.241 1.00 0.00 O ATOM 0 H GLY A 84 6.788 -0.042 -0.934 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.341 1.917 0.942 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.526 1.057 -0.021 1.00 0.00 H new ATOM 1322 N LYS A 85 7.993 2.835 -2.163 1.00 0.00 N ATOM 1323 CA LYS A 85 8.281 3.975 -3.016 1.00 0.00 C ATOM 1324 C LYS A 85 7.159 5.006 -2.877 1.00 0.00 C ATOM 1325 O LYS A 85 7.419 6.207 -2.809 1.00 0.00 O ATOM 1326 CB LYS A 85 8.522 3.520 -4.456 1.00 0.00 C ATOM 1327 CG LYS A 85 8.612 4.718 -5.403 1.00 0.00 C ATOM 1328 CD LYS A 85 7.546 4.634 -6.497 1.00 0.00 C ATOM 1329 CE LYS A 85 8.165 4.831 -7.882 1.00 0.00 C ATOM 1330 NZ LYS A 85 8.331 3.529 -8.566 1.00 0.00 N ATOM 0 H LYS A 85 7.837 1.958 -2.661 1.00 0.00 H new ATOM 0 HA LYS A 85 9.204 4.462 -2.702 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.444 2.941 -4.508 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.713 2.862 -4.773 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.487 5.642 -4.839 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.602 4.753 -5.857 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.049 3.665 -6.451 1.00 0.00 H new ATOM 0 HD3 LYS A 85 6.782 5.393 -6.325 1.00 0.00 H new ATOM 0 HE2 LYS A 85 7.531 5.485 -8.481 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.132 5.325 -7.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 8.752 3.681 -9.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 8.955 2.917 -8.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 7.403 3.072 -8.673 1.00 0.00 H new ATOM 1344 N LEU A 86 5.935 4.500 -2.840 1.00 0.00 N ATOM 1345 CA LEU A 86 4.772 5.362 -2.710 1.00 0.00 C ATOM 1346 C LEU A 86 4.962 6.290 -1.509 1.00 0.00 C ATOM 1347 O LEU A 86 4.493 7.427 -1.518 1.00 0.00 O ATOM 1348 CB LEU A 86 3.491 4.528 -2.647 1.00 0.00 C ATOM 1349 CG LEU A 86 2.768 4.308 -3.978 1.00 0.00 C ATOM 1350 CD1 LEU A 86 2.054 2.955 -3.996 1.00 0.00 C ATOM 1351 CD2 LEU A 86 1.813 5.465 -4.281 1.00 0.00 C ATOM 0 H LEU A 86 5.723 3.504 -2.898 1.00 0.00 H new ATOM 0 HA LEU A 86 4.668 5.997 -3.590 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.736 3.554 -2.224 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.800 5.011 -1.956 1.00 0.00 H new ATOM 0 HG LEU A 86 3.513 4.290 -4.773 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.548 2.823 -4.952 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.783 2.157 -3.858 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.321 2.920 -3.190 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.312 5.284 -5.232 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.069 5.540 -3.488 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.377 6.396 -4.339 1.00 0.00 H new ATOM 1363 N GLU A 87 5.650 5.770 -0.503 1.00 0.00 N ATOM 1364 CA GLU A 87 5.908 6.538 0.703 1.00 0.00 C ATOM 1365 C GLU A 87 6.921 7.649 0.420 1.00 0.00 C ATOM 1366 O GLU A 87 6.865 8.716 1.030 1.00 0.00 O ATOM 1367 CB GLU A 87 6.392 5.632 1.837 1.00 0.00 C ATOM 1368 CG GLU A 87 5.222 5.173 2.710 1.00 0.00 C ATOM 1369 CD GLU A 87 5.422 5.601 4.165 1.00 0.00 C ATOM 1370 OE1 GLU A 87 5.032 6.747 4.479 1.00 0.00 O ATOM 1371 OE2 GLU A 87 5.961 4.774 4.931 1.00 0.00 O ATOM 0 H GLU A 87 6.037 4.826 -0.499 1.00 0.00 H new ATOM 0 HA GLU A 87 4.973 6.999 1.023 1.00 0.00 H new ATOM 0 HB2 GLU A 87 6.902 4.763 1.421 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.119 6.166 2.449 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.292 5.594 2.328 1.00 0.00 H new ATOM 0 HG3 GLU A 87 5.127 4.088 2.656 1.00 0.00 H new ATOM 1378 N THR A 88 7.823 7.361 -0.507 1.00 0.00 N ATOM 1379 CA THR A 88 8.846 8.323 -0.879 1.00 0.00 C ATOM 1380 C THR A 88 8.296 9.320 -1.900 1.00 0.00 C ATOM 1381 O THR A 88 8.230 10.519 -1.630 1.00 0.00 O ATOM 1382 CB THR A 88 10.064 7.546 -1.384 1.00 0.00 C ATOM 1383 OG1 THR A 88 10.799 7.246 -0.201 1.00 0.00 O ATOM 1384 CG2 THR A 88 11.017 8.419 -2.204 1.00 0.00 C ATOM 0 H THR A 88 7.866 6.475 -1.011 1.00 0.00 H new ATOM 0 HA THR A 88 9.156 8.922 -0.022 1.00 0.00 H new ATOM 0 HB THR A 88 9.731 6.704 -1.990 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.605 6.741 -0.436 1.00 0.00 H new ATOM 0 HG21 THR A 88 11.864 7.819 -2.538 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.490 8.817 -3.071 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.377 9.243 -1.588 1.00 0.00 H new ATOM 1392 N ASP A 89 7.913 8.789 -3.052 1.00 0.00 N ATOM 1393 CA ASP A 89 7.370 9.617 -4.115 1.00 0.00 C ATOM 1394 C ASP A 89 6.322 10.567 -3.530 1.00 0.00 C ATOM 1395 O ASP A 89 6.165 11.691 -4.005 1.00 0.00 O ATOM 1396 CB ASP A 89 6.688 8.762 -5.185 1.00 0.00 C ATOM 1397 CG ASP A 89 7.482 8.596 -6.482 1.00 0.00 C ATOM 1398 OD1 ASP A 89 8.588 8.019 -6.400 1.00 0.00 O ATOM 1399 OD2 ASP A 89 6.966 9.049 -7.526 1.00 0.00 O ATOM 0 H ASP A 89 7.968 7.795 -3.272 1.00 0.00 H new ATOM 0 HA ASP A 89 8.194 10.170 -4.566 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.491 7.774 -4.768 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.722 9.207 -5.423 1.00 0.00 H new ATOM 1404 N PHE A 90 5.633 10.080 -2.508 1.00 0.00 N ATOM 1405 CA PHE A 90 4.606 10.872 -1.854 1.00 0.00 C ATOM 1406 C PHE A 90 5.221 12.042 -1.084 1.00 0.00 C ATOM 1407 O PHE A 90 4.749 13.173 -1.185 1.00 0.00 O ATOM 1408 CB PHE A 90 3.889 9.948 -0.867 1.00 0.00 C ATOM 1409 CG PHE A 90 3.019 10.683 0.154 1.00 0.00 C ATOM 1410 CD1 PHE A 90 2.231 11.717 -0.243 1.00 0.00 C ATOM 1411 CD2 PHE A 90 3.035 10.302 1.460 1.00 0.00 C ATOM 1412 CE1 PHE A 90 1.423 12.399 0.705 1.00 0.00 C ATOM 1413 CE2 PHE A 90 2.227 10.984 2.408 1.00 0.00 C ATOM 1414 CZ PHE A 90 1.439 12.018 2.011 1.00 0.00 C ATOM 0 H PHE A 90 5.766 9.147 -2.117 1.00 0.00 H new ATOM 0 HA PHE A 90 3.923 11.282 -2.598 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.265 9.251 -1.426 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.633 9.354 -0.335 1.00 0.00 H new ATOM 0 HD1 PHE A 90 2.219 12.020 -1.280 1.00 0.00 H new ATOM 0 HD2 PHE A 90 3.662 9.481 1.776 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.796 13.220 0.389 1.00 0.00 H new ATOM 0 HE2 PHE A 90 2.239 10.681 3.445 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.825 12.537 2.732 1.00 0.00 H new ATOM 1424 N LYS A 91 6.266 11.729 -0.332 1.00 0.00 N ATOM 1425 CA LYS A 91 6.952 12.740 0.454 1.00 0.00 C ATOM 1426 C LYS A 91 7.779 13.630 -0.476 1.00 0.00 C ATOM 1427 O LYS A 91 8.027 14.795 -0.168 1.00 0.00 O ATOM 1428 CB LYS A 91 7.771 12.087 1.570 1.00 0.00 C ATOM 1429 CG LYS A 91 9.211 11.838 1.119 1.00 0.00 C ATOM 1430 CD LYS A 91 9.997 11.077 2.188 1.00 0.00 C ATOM 1431 CE LYS A 91 11.477 11.461 2.159 1.00 0.00 C ATOM 1432 NZ LYS A 91 11.815 12.313 3.321 1.00 0.00 N ATOM 0 H LYS A 91 6.654 10.789 -0.250 1.00 0.00 H new ATOM 0 HA LYS A 91 6.231 13.386 0.955 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.768 12.728 2.451 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.309 11.144 1.861 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.211 11.270 0.189 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.700 12.790 0.911 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.581 11.292 3.172 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.893 10.004 2.026 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.092 10.561 2.169 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.703 11.991 1.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.824 12.564 3.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.241 13.180 3.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.618 11.794 4.201 1.00 0.00 H new ATOM 1446 N ARG A 92 8.184 13.047 -1.594 1.00 0.00 N ATOM 1447 CA ARG A 92 8.979 13.772 -2.571 1.00 0.00 C ATOM 1448 C ARG A 92 8.068 14.538 -3.533 1.00 0.00 C ATOM 1449 O ARG A 92 8.543 15.155 -4.484 1.00 0.00 O ATOM 1450 CB ARG A 92 9.869 12.820 -3.372 1.00 0.00 C ATOM 1451 CG ARG A 92 11.184 12.550 -2.637 1.00 0.00 C ATOM 1452 CD ARG A 92 12.092 11.632 -3.458 1.00 0.00 C ATOM 1453 NE ARG A 92 13.141 12.429 -4.133 1.00 0.00 N ATOM 1454 CZ ARG A 92 14.000 11.932 -5.033 1.00 0.00 C ATOM 1455 NH1 ARG A 92 13.941 10.637 -5.371 1.00 0.00 N ATOM 1456 NH2 ARG A 92 14.919 12.730 -5.594 1.00 0.00 N ATOM 0 H ARG A 92 7.977 12.080 -1.846 1.00 0.00 H new ATOM 0 HA ARG A 92 9.613 14.474 -2.028 1.00 0.00 H new ATOM 0 HB2 ARG A 92 9.343 11.880 -3.541 1.00 0.00 H new ATOM 0 HB3 ARG A 92 10.077 13.249 -4.352 1.00 0.00 H new ATOM 0 HG2 ARG A 92 11.695 13.492 -2.441 1.00 0.00 H new ATOM 0 HG3 ARG A 92 10.977 12.092 -1.670 1.00 0.00 H new ATOM 0 HD2 ARG A 92 12.551 10.886 -2.809 1.00 0.00 H new ATOM 0 HD3 ARG A 92 11.502 11.091 -4.198 1.00 0.00 H new ATOM 0 HE ARG A 92 13.214 13.419 -3.898 1.00 0.00 H new ATOM 0 HH11 ARG A 92 13.242 10.030 -4.943 1.00 0.00 H new ATOM 0 HH12 ARG A 92 14.595 10.258 -6.056 1.00 0.00 H new ATOM 0 HH21 ARG A 92 14.964 13.716 -5.336 1.00 0.00 H new ATOM 0 HH22 ARG A 92 15.573 12.352 -6.279 1.00 0.00 H new ATOM 1470 N SER A 93 6.775 14.473 -3.251 1.00 0.00 N ATOM 1471 CA SER A 93 5.793 15.153 -4.079 1.00 0.00 C ATOM 1472 C SER A 93 5.160 16.307 -3.299 1.00 0.00 C ATOM 1473 O SER A 93 4.803 17.330 -3.879 1.00 0.00 O ATOM 1474 CB SER A 93 4.713 14.182 -4.561 1.00 0.00 C ATOM 1475 OG SER A 93 4.141 13.443 -3.486 1.00 0.00 O ATOM 0 H SER A 93 6.384 13.960 -2.461 1.00 0.00 H new ATOM 0 HA SER A 93 6.302 15.552 -4.956 1.00 0.00 H new ATOM 0 HB2 SER A 93 3.930 14.738 -5.076 1.00 0.00 H new ATOM 0 HB3 SER A 93 5.144 13.492 -5.287 1.00 0.00 H new ATOM 0 HG SER A 93 4.445 13.818 -2.633 1.00 0.00 H new ATOM 1481 N ARG A 94 5.041 16.102 -1.995 1.00 0.00 N ATOM 1482 CA ARG A 94 4.457 17.113 -1.130 1.00 0.00 C ATOM 1483 C ARG A 94 5.524 18.118 -0.692 1.00 0.00 C ATOM 1484 O ARG A 94 5.245 19.022 0.094 1.00 0.00 O ATOM 1485 CB ARG A 94 3.825 16.478 0.111 1.00 0.00 C ATOM 1486 CG ARG A 94 4.891 15.834 1.000 1.00 0.00 C ATOM 1487 CD ARG A 94 4.250 15.085 2.170 1.00 0.00 C ATOM 1488 NE ARG A 94 5.257 14.838 3.226 1.00 0.00 N ATOM 1489 CZ ARG A 94 4.978 14.289 4.416 1.00 0.00 C ATOM 1490 NH1 ARG A 94 3.722 13.927 4.709 1.00 0.00 N ATOM 1491 NH2 ARG A 94 5.956 14.103 5.313 1.00 0.00 N ATOM 0 H ARG A 94 5.339 15.252 -1.517 1.00 0.00 H new ATOM 0 HA ARG A 94 3.681 17.626 -1.698 1.00 0.00 H new ATOM 0 HB2 ARG A 94 3.284 17.237 0.677 1.00 0.00 H new ATOM 0 HB3 ARG A 94 3.096 15.726 -0.192 1.00 0.00 H new ATOM 0 HG2 ARG A 94 5.494 15.145 0.409 1.00 0.00 H new ATOM 0 HG3 ARG A 94 5.565 16.602 1.380 1.00 0.00 H new ATOM 0 HD2 ARG A 94 3.422 15.667 2.575 1.00 0.00 H new ATOM 0 HD3 ARG A 94 3.835 14.139 1.823 1.00 0.00 H new ATOM 0 HE ARG A 94 6.224 15.102 3.036 1.00 0.00 H new ATOM 0 HH11 ARG A 94 2.978 14.069 4.026 1.00 0.00 H new ATOM 0 HH12 ARG A 94 3.510 13.509 5.615 1.00 0.00 H new ATOM 0 HH21 ARG A 94 6.912 14.379 5.090 1.00 0.00 H new ATOM 0 HH22 ARG A 94 5.744 13.685 6.219 1.00 0.00 H new ATOM 1505 N ILE A 95 6.724 17.927 -1.221 1.00 0.00 N ATOM 1506 CA ILE A 95 7.834 18.806 -0.895 1.00 0.00 C ATOM 1507 C ILE A 95 8.119 19.723 -2.086 1.00 0.00 C ATOM 1508 O ILE A 95 9.199 20.304 -2.182 1.00 0.00 O ATOM 1509 CB ILE A 95 9.047 17.991 -0.443 1.00 0.00 C ATOM 1510 CG1 ILE A 95 9.619 17.169 -1.600 1.00 0.00 C ATOM 1511 CG2 ILE A 95 8.701 17.117 0.765 1.00 0.00 C ATOM 1512 CD1 ILE A 95 11.014 16.641 -1.261 1.00 0.00 C ATOM 0 H ILE A 95 6.952 17.176 -1.873 1.00 0.00 H new ATOM 0 HA ILE A 95 7.577 19.448 -0.052 1.00 0.00 H new ATOM 0 HB ILE A 95 9.825 18.685 -0.126 1.00 0.00 H new ATOM 0 HG12 ILE A 95 8.954 16.334 -1.821 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.668 17.784 -2.499 1.00 0.00 H new ATOM 0 HG21 ILE A 95 9.581 16.548 1.066 1.00 0.00 H new ATOM 0 HG22 ILE A 95 8.378 17.750 1.591 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.898 16.430 0.499 1.00 0.00 H new ATOM 0 HD11 ILE A 95 11.397 16.060 -2.100 1.00 0.00 H new ATOM 0 HD12 ILE A 95 11.682 17.479 -1.064 1.00 0.00 H new ATOM 0 HD13 ILE A 95 10.958 16.007 -0.376 1.00 0.00 H new ATOM 1524 N ALA A 96 7.132 19.824 -2.964 1.00 0.00 N ATOM 1525 CA ALA A 96 7.264 20.661 -4.145 1.00 0.00 C ATOM 1526 C ALA A 96 6.377 21.898 -3.989 1.00 0.00 C ATOM 1527 O ALA A 96 5.163 21.780 -3.826 1.00 0.00 O ATOM 1528 CB ALA A 96 6.913 19.845 -5.391 1.00 0.00 C ATOM 0 H ALA A 96 6.238 19.340 -2.882 1.00 0.00 H new ATOM 0 HA ALA A 96 8.292 21.005 -4.259 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.012 20.473 -6.277 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.590 18.994 -5.471 1.00 0.00 H new ATOM 0 HB3 ALA A 96 5.887 19.486 -5.314 1.00 0.00 H new ATOM 1534 N SER A 97 7.017 23.057 -4.044 1.00 0.00 N ATOM 1535 CA SER A 97 6.302 24.314 -3.911 1.00 0.00 C ATOM 1536 C SER A 97 6.888 25.354 -4.869 1.00 0.00 C ATOM 1537 O SER A 97 6.149 26.047 -5.566 1.00 0.00 O ATOM 1538 CB SER A 97 6.355 24.829 -2.471 1.00 0.00 C ATOM 1539 OG SER A 97 5.661 26.064 -2.320 1.00 0.00 O ATOM 0 H SER A 97 8.024 23.151 -4.179 1.00 0.00 H new ATOM 0 HA SER A 97 5.257 24.141 -4.168 1.00 0.00 H new ATOM 0 HB2 SER A 97 5.920 24.085 -1.804 1.00 0.00 H new ATOM 0 HB3 SER A 97 7.395 24.958 -2.170 1.00 0.00 H new ATOM 0 HG SER A 97 5.717 26.359 -1.387 1.00 0.00 H new ATOM 1545 N GLY A 98 8.211 25.429 -4.871 1.00 0.00 N ATOM 1546 CA GLY A 98 8.905 26.372 -5.732 1.00 0.00 C ATOM 1547 C GLY A 98 10.409 26.094 -5.750 1.00 0.00 C ATOM 1548 O GLY A 98 10.832 24.943 -5.646 1.00 0.00 O ATOM 0 H GLY A 98 8.820 24.853 -4.291 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.507 26.306 -6.745 1.00 0.00 H new ATOM 0 HA3 GLY A 98 8.724 27.389 -5.384 1.00 0.00 H new ATOM 1552 N PRO A 99 11.196 27.194 -5.886 1.00 0.00 N ATOM 1553 CA PRO A 99 12.644 27.080 -5.919 1.00 0.00 C ATOM 1554 C PRO A 99 13.205 26.809 -4.521 1.00 0.00 C ATOM 1555 O PRO A 99 12.615 27.219 -3.522 1.00 0.00 O ATOM 1556 CB PRO A 99 13.130 28.394 -6.510 1.00 0.00 C ATOM 1557 CG PRO A 99 11.976 29.372 -6.354 1.00 0.00 C ATOM 1558 CD PRO A 99 10.730 28.572 -6.012 1.00 0.00 C ATOM 0 HA PRO A 99 12.986 26.238 -6.521 1.00 0.00 H new ATOM 0 HB2 PRO A 99 14.018 28.752 -5.990 1.00 0.00 H new ATOM 0 HB3 PRO A 99 13.402 28.274 -7.559 1.00 0.00 H new ATOM 0 HG2 PRO A 99 12.193 30.096 -5.568 1.00 0.00 H new ATOM 0 HG3 PRO A 99 11.827 29.936 -7.275 1.00 0.00 H new ATOM 0 HD2 PRO A 99 10.276 28.923 -5.085 1.00 0.00 H new ATOM 0 HD3 PRO A 99 9.974 28.664 -6.792 1.00 0.00 H new ATOM 1566 N SER A 100 14.337 26.122 -4.495 1.00 0.00 N ATOM 1567 CA SER A 100 14.984 25.792 -3.237 1.00 0.00 C ATOM 1568 C SER A 100 16.418 25.325 -3.492 1.00 0.00 C ATOM 1569 O SER A 100 16.689 24.656 -4.488 1.00 0.00 O ATOM 1570 CB SER A 100 14.202 24.715 -2.481 1.00 0.00 C ATOM 1571 OG SER A 100 14.197 24.947 -1.075 1.00 0.00 O ATOM 0 H SER A 100 14.823 25.785 -5.326 1.00 0.00 H new ATOM 0 HA SER A 100 15.006 26.689 -2.619 1.00 0.00 H new ATOM 0 HB2 SER A 100 13.176 24.688 -2.848 1.00 0.00 H new ATOM 0 HB3 SER A 100 14.640 23.738 -2.686 1.00 0.00 H new ATOM 0 HG SER A 100 13.687 24.239 -0.629 1.00 0.00 H new ATOM 1577 N SER A 101 17.299 25.696 -2.575 1.00 0.00 N ATOM 1578 CA SER A 101 18.699 25.323 -2.688 1.00 0.00 C ATOM 1579 C SER A 101 19.236 25.718 -4.065 1.00 0.00 C ATOM 1580 O SER A 101 19.699 26.842 -4.256 1.00 0.00 O ATOM 1581 CB SER A 101 18.891 23.824 -2.454 1.00 0.00 C ATOM 1582 OG SER A 101 20.181 23.380 -2.864 1.00 0.00 O ATOM 0 H SER A 101 17.071 26.251 -1.750 1.00 0.00 H new ATOM 0 HA SER A 101 19.258 25.857 -1.920 1.00 0.00 H new ATOM 0 HB2 SER A 101 18.750 23.601 -1.396 1.00 0.00 H new ATOM 0 HB3 SER A 101 18.127 23.271 -3.000 1.00 0.00 H new ATOM 0 HG SER A 101 20.264 22.418 -2.696 1.00 0.00 H new ATOM 1588 N GLY A 102 19.156 24.773 -4.990 1.00 0.00 N ATOM 1589 CA GLY A 102 19.628 25.008 -6.344 1.00 0.00 C ATOM 1590 C GLY A 102 18.609 24.514 -7.373 1.00 0.00 C ATOM 1591 O GLY A 102 17.456 24.942 -7.366 1.00 0.00 O ATOM 0 H GLY A 102 18.771 23.842 -4.828 1.00 0.00 H new ATOM 0 HA2 GLY A 102 19.811 26.073 -6.490 1.00 0.00 H new ATOM 0 HA3 GLY A 102 20.579 24.498 -6.495 1.00 0.00 H new TER 1595 GLY A 102