USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 829 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 GLN : amide:sc= -1.64 K(o=-3.3,f=-5.6!) USER MOD Set 1.2: A 71 SER OG : rot 89:sc= -1.65 USER MOD Set 2.1: A 38 TYR OH : rot 180:sc= 1.02 USER MOD Set 2.2: A 42 LYS NZ :NH3+ -117:sc= 1.28 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.00296 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.291 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.203 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -3.2! C(o=-3.2!,f=-4.7!) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -3.01! C(o=-3!,f=-3.8!) USER MOD Single : A 33 TYR OH : rot 130:sc= -0.188 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0.157 K(o=0.16,f=-2.3!) USER MOD Single : A 46 CYS SG : rot 170:sc=-0.00222 USER MOD Single : A 47 ASN : amide:sc= -0.41 X(o=-0.41,f=-0.23) USER MOD Single : A 48 THR OG1 : rot -122:sc= 0.556 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 172:sc= -0.199 (180deg=-0.237) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0.0254 USER MOD Single : A 75 GLN : amide:sc= -0.0943 K(o=-0.094,f=-1.8!) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc=-0.00321 X(o=-0.0032,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -135:sc= -0.0755 (180deg=-1.21) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc= -0.0417 K(o=-0.042,f=-1.2) USER MOD Single : A 98 LYS NZ :NH3+ -168:sc=-0.00207 (180deg=-0.094) USER MOD Single : A 99 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.054) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot -55:sc= 0.00318 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.400 20.234 -24.500 1.00 0.00 N ATOM 2 CA GLY A 1 -7.404 21.238 -23.453 1.00 0.00 C ATOM 3 C GLY A 1 -6.599 20.814 -22.240 1.00 0.00 C ATOM 4 O GLY A 1 -5.534 20.212 -22.373 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.164 20.681 -25.409 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.692 19.505 -24.279 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.341 19.795 -24.564 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.999 22.170 -23.846 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.432 21.439 -23.151 1.00 0.00 H new ATOM 8 N SER A 2 -7.109 21.130 -21.054 1.00 0.00 N ATOM 9 CA SER A 2 -6.428 20.783 -19.812 1.00 0.00 C ATOM 10 C SER A 2 -7.414 20.723 -18.650 1.00 0.00 C ATOM 11 O SER A 2 -8.587 21.066 -18.798 1.00 0.00 O ATOM 12 CB SER A 2 -5.326 21.800 -19.509 1.00 0.00 C ATOM 13 OG SER A 2 -4.393 21.874 -20.573 1.00 0.00 O ATOM 0 H SER A 2 -7.991 21.626 -20.927 1.00 0.00 H new ATOM 0 HA SER A 2 -5.979 19.797 -19.936 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.769 22.782 -19.341 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.812 21.521 -18.589 1.00 0.00 H new ATOM 0 HG SER A 2 -3.700 22.532 -20.355 1.00 0.00 H new ATOM 19 N SER A 3 -6.929 20.286 -17.492 1.00 0.00 N ATOM 20 CA SER A 3 -7.768 20.177 -16.304 1.00 0.00 C ATOM 21 C SER A 3 -8.689 21.386 -16.177 1.00 0.00 C ATOM 22 O SER A 3 -8.231 22.513 -15.997 1.00 0.00 O ATOM 23 CB SER A 3 -6.899 20.049 -15.051 1.00 0.00 C ATOM 24 OG SER A 3 -6.135 18.856 -15.079 1.00 0.00 O ATOM 0 H SER A 3 -5.960 20.002 -17.351 1.00 0.00 H new ATOM 0 HA SER A 3 -8.383 19.283 -16.404 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.233 20.909 -14.977 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.532 20.058 -14.163 1.00 0.00 H new ATOM 0 HG SER A 3 -5.587 18.799 -14.268 1.00 0.00 H new ATOM 30 N GLY A 4 -9.993 21.141 -16.272 1.00 0.00 N ATOM 31 CA GLY A 4 -10.959 22.218 -16.166 1.00 0.00 C ATOM 32 C GLY A 4 -11.721 22.187 -14.855 1.00 0.00 C ATOM 33 O GLY A 4 -11.133 21.991 -13.792 1.00 0.00 O ATOM 0 H GLY A 4 -10.397 20.216 -16.420 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.444 23.174 -16.261 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.664 22.152 -16.994 1.00 0.00 H new ATOM 37 N SER A 5 -13.034 22.382 -14.931 1.00 0.00 N ATOM 38 CA SER A 5 -13.877 22.380 -13.741 1.00 0.00 C ATOM 39 C SER A 5 -13.744 21.063 -12.983 1.00 0.00 C ATOM 40 O SER A 5 -13.522 21.050 -11.773 1.00 0.00 O ATOM 41 CB SER A 5 -15.339 22.616 -14.125 1.00 0.00 C ATOM 42 OG SER A 5 -15.862 21.510 -14.840 1.00 0.00 O ATOM 0 H SER A 5 -13.537 22.543 -15.804 1.00 0.00 H new ATOM 0 HA SER A 5 -13.545 23.189 -13.090 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.932 22.785 -13.226 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.418 23.517 -14.733 1.00 0.00 H new ATOM 0 HG SER A 5 -16.798 21.684 -15.073 1.00 0.00 H new ATOM 48 N SER A 6 -13.882 19.955 -13.705 1.00 0.00 N ATOM 49 CA SER A 6 -13.782 18.632 -13.102 1.00 0.00 C ATOM 50 C SER A 6 -12.740 18.620 -11.987 1.00 0.00 C ATOM 51 O SER A 6 -11.538 18.595 -12.246 1.00 0.00 O ATOM 52 CB SER A 6 -13.421 17.590 -14.163 1.00 0.00 C ATOM 53 OG SER A 6 -13.343 16.293 -13.598 1.00 0.00 O ATOM 0 H SER A 6 -14.063 19.948 -14.709 1.00 0.00 H new ATOM 0 HA SER A 6 -14.752 18.382 -12.672 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.168 17.600 -14.956 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.466 17.849 -14.621 1.00 0.00 H new ATOM 0 HG SER A 6 -13.113 15.645 -14.296 1.00 0.00 H new ATOM 59 N GLY A 7 -13.212 18.640 -10.744 1.00 0.00 N ATOM 60 CA GLY A 7 -12.310 18.631 -9.608 1.00 0.00 C ATOM 61 C GLY A 7 -11.479 17.366 -9.537 1.00 0.00 C ATOM 62 O GLY A 7 -11.973 16.273 -9.815 1.00 0.00 O ATOM 0 H GLY A 7 -14.203 18.662 -10.504 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.647 19.494 -9.668 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.887 18.735 -8.689 1.00 0.00 H new ATOM 66 N LEU A 8 -10.212 17.513 -9.165 1.00 0.00 N ATOM 67 CA LEU A 8 -9.308 16.372 -9.060 1.00 0.00 C ATOM 68 C LEU A 8 -9.307 15.807 -7.643 1.00 0.00 C ATOM 69 O LEU A 8 -9.222 14.595 -7.448 1.00 0.00 O ATOM 70 CB LEU A 8 -7.889 16.782 -9.459 1.00 0.00 C ATOM 71 CG LEU A 8 -7.008 15.673 -10.036 1.00 0.00 C ATOM 72 CD1 LEU A 8 -6.997 14.465 -9.113 1.00 0.00 C ATOM 73 CD2 LEU A 8 -7.486 15.281 -11.426 1.00 0.00 C ATOM 0 H LEU A 8 -9.787 18.410 -8.931 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.660 15.597 -9.740 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.957 17.584 -10.194 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.391 17.195 -8.582 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.989 16.051 -10.118 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.365 13.686 -9.540 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.606 14.756 -8.138 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.012 14.086 -8.998 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.847 14.491 -11.821 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.514 14.923 -11.370 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.440 16.148 -12.085 1.00 0.00 H new ATOM 85 N ALA A 9 -9.406 16.693 -6.658 1.00 0.00 N ATOM 86 CA ALA A 9 -9.421 16.282 -5.260 1.00 0.00 C ATOM 87 C ALA A 9 -10.716 15.555 -4.915 1.00 0.00 C ATOM 88 O ALA A 9 -10.692 14.449 -4.375 1.00 0.00 O ATOM 89 CB ALA A 9 -9.234 17.490 -4.353 1.00 0.00 C ATOM 0 H ALA A 9 -9.477 17.700 -6.802 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.594 15.590 -5.102 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.247 17.169 -3.312 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.279 17.966 -4.574 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.042 18.201 -4.523 1.00 0.00 H new ATOM 95 N GLU A 10 -11.844 16.183 -5.230 1.00 0.00 N ATOM 96 CA GLU A 10 -13.149 15.594 -4.952 1.00 0.00 C ATOM 97 C GLU A 10 -13.113 14.080 -5.136 1.00 0.00 C ATOM 98 O GLU A 10 -13.681 13.332 -4.338 1.00 0.00 O ATOM 99 CB GLU A 10 -14.214 16.205 -5.865 1.00 0.00 C ATOM 100 CG GLU A 10 -13.749 16.397 -7.299 1.00 0.00 C ATOM 101 CD GLU A 10 -14.899 16.638 -8.258 1.00 0.00 C ATOM 102 OE1 GLU A 10 -15.970 16.026 -8.066 1.00 0.00 O ATOM 103 OE2 GLU A 10 -14.726 17.439 -9.200 1.00 0.00 O ATOM 0 H GLU A 10 -11.881 17.099 -5.678 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.403 15.810 -3.914 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -15.096 15.564 -5.861 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.519 17.169 -5.459 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.061 17.241 -7.344 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.193 15.515 -7.618 1.00 0.00 H new ATOM 110 N LEU A 11 -12.442 13.634 -6.193 1.00 0.00 N ATOM 111 CA LEU A 11 -12.332 12.209 -6.483 1.00 0.00 C ATOM 112 C LEU A 11 -11.334 11.537 -5.545 1.00 0.00 C ATOM 113 O LEU A 11 -11.606 10.471 -4.993 1.00 0.00 O ATOM 114 CB LEU A 11 -11.905 11.996 -7.936 1.00 0.00 C ATOM 115 CG LEU A 11 -13.034 11.928 -8.965 1.00 0.00 C ATOM 116 CD1 LEU A 11 -14.139 11.000 -8.484 1.00 0.00 C ATOM 117 CD2 LEU A 11 -13.586 13.319 -9.243 1.00 0.00 C ATOM 0 H LEU A 11 -11.966 14.239 -6.863 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.311 11.756 -6.327 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.232 12.806 -8.218 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.332 11.070 -7.993 1.00 0.00 H new ATOM 0 HG LEU A 11 -12.630 11.527 -9.894 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.934 10.964 -9.229 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.735 9.999 -8.336 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.542 11.371 -7.542 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.389 13.252 -9.977 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.974 13.748 -8.319 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -12.791 13.955 -9.632 1.00 0.00 H new ATOM 129 N PHE A 12 -10.179 12.170 -5.366 1.00 0.00 N ATOM 130 CA PHE A 12 -9.141 11.635 -4.493 1.00 0.00 C ATOM 131 C PHE A 12 -9.732 11.174 -3.164 1.00 0.00 C ATOM 132 O PHE A 12 -9.210 10.262 -2.524 1.00 0.00 O ATOM 133 CB PHE A 12 -8.060 12.689 -4.245 1.00 0.00 C ATOM 134 CG PHE A 12 -6.994 12.240 -3.287 1.00 0.00 C ATOM 135 CD1 PHE A 12 -5.907 11.505 -3.734 1.00 0.00 C ATOM 136 CD2 PHE A 12 -7.079 12.553 -1.940 1.00 0.00 C ATOM 137 CE1 PHE A 12 -4.924 11.091 -2.854 1.00 0.00 C ATOM 138 CE2 PHE A 12 -6.099 12.142 -1.056 1.00 0.00 C ATOM 139 CZ PHE A 12 -5.021 11.409 -1.514 1.00 0.00 C ATOM 0 H PHE A 12 -9.939 13.054 -5.814 1.00 0.00 H new ATOM 0 HA PHE A 12 -8.692 10.774 -4.989 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -7.596 12.952 -5.195 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -8.528 13.594 -3.857 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.827 11.253 -4.781 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.920 13.124 -1.577 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.081 10.520 -3.214 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.176 12.394 -0.009 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.255 11.085 -0.825 1.00 0.00 H new ATOM 149 N GLU A 13 -10.825 11.813 -2.756 1.00 0.00 N ATOM 150 CA GLU A 13 -11.486 11.469 -1.503 1.00 0.00 C ATOM 151 C GLU A 13 -12.289 10.180 -1.647 1.00 0.00 C ATOM 152 O GLU A 13 -12.117 9.238 -0.873 1.00 0.00 O ATOM 153 CB GLU A 13 -12.405 12.609 -1.057 1.00 0.00 C ATOM 154 CG GLU A 13 -11.661 13.875 -0.670 1.00 0.00 C ATOM 155 CD GLU A 13 -11.147 13.838 0.756 1.00 0.00 C ATOM 156 OE1 GLU A 13 -11.944 13.522 1.665 1.00 0.00 O ATOM 157 OE2 GLU A 13 -9.950 14.124 0.964 1.00 0.00 O ATOM 0 H GLU A 13 -11.270 12.570 -3.274 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.717 11.314 -0.746 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.102 12.839 -1.863 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.000 12.273 -0.208 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.822 14.021 -1.351 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.323 14.732 -0.791 1.00 0.00 H new ATOM 164 N LYS A 14 -13.168 10.145 -2.643 1.00 0.00 N ATOM 165 CA LYS A 14 -13.998 8.973 -2.891 1.00 0.00 C ATOM 166 C LYS A 14 -13.137 7.744 -3.163 1.00 0.00 C ATOM 167 O LYS A 14 -13.350 6.682 -2.578 1.00 0.00 O ATOM 168 CB LYS A 14 -14.933 9.226 -4.075 1.00 0.00 C ATOM 169 CG LYS A 14 -16.237 9.902 -3.687 1.00 0.00 C ATOM 170 CD LYS A 14 -16.928 10.515 -4.894 1.00 0.00 C ATOM 171 CE LYS A 14 -16.347 11.878 -5.236 1.00 0.00 C ATOM 172 NZ LYS A 14 -17.007 12.479 -6.429 1.00 0.00 N ATOM 0 H LYS A 14 -13.324 10.916 -3.292 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.595 8.786 -1.998 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.417 9.845 -4.809 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.156 8.276 -4.560 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.899 9.175 -3.218 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -16.040 10.677 -2.947 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.825 9.849 -5.751 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -17.995 10.613 -4.693 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.462 12.546 -4.382 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.278 11.780 -5.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.583 13.407 -6.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -16.876 11.854 -7.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -18.023 12.596 -6.241 1.00 0.00 H new ATOM 186 N ALA A 15 -12.162 7.896 -4.053 1.00 0.00 N ATOM 187 CA ALA A 15 -11.266 6.799 -4.400 1.00 0.00 C ATOM 188 C ALA A 15 -10.705 6.132 -3.149 1.00 0.00 C ATOM 189 O ALA A 15 -10.762 4.911 -3.006 1.00 0.00 O ATOM 190 CB ALA A 15 -10.135 7.301 -5.285 1.00 0.00 C ATOM 0 H ALA A 15 -11.972 8.768 -4.547 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.840 6.054 -4.951 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.474 6.472 -5.536 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.549 7.725 -6.200 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.570 8.067 -4.754 1.00 0.00 H new ATOM 196 N ALA A 16 -10.161 6.942 -2.246 1.00 0.00 N ATOM 197 CA ALA A 16 -9.591 6.430 -1.006 1.00 0.00 C ATOM 198 C ALA A 16 -10.551 5.467 -0.316 1.00 0.00 C ATOM 199 O ALA A 16 -10.136 4.444 0.228 1.00 0.00 O ATOM 200 CB ALA A 16 -9.233 7.579 -0.076 1.00 0.00 C ATOM 0 H ALA A 16 -10.103 7.955 -2.350 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.683 5.880 -1.253 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.808 7.182 0.846 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.503 8.227 -0.562 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.130 8.153 0.155 1.00 0.00 H new ATOM 206 N ALA A 17 -11.837 5.802 -0.342 1.00 0.00 N ATOM 207 CA ALA A 17 -12.857 4.967 0.280 1.00 0.00 C ATOM 208 C ALA A 17 -13.044 3.664 -0.490 1.00 0.00 C ATOM 209 O ALA A 17 -13.370 2.628 0.091 1.00 0.00 O ATOM 210 CB ALA A 17 -14.174 5.722 0.372 1.00 0.00 C ATOM 0 H ALA A 17 -12.197 6.646 -0.787 1.00 0.00 H new ATOM 0 HA ALA A 17 -12.523 4.719 1.287 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -14.926 5.086 0.839 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -14.037 6.621 0.972 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.504 6.000 -0.629 1.00 0.00 H new ATOM 216 N HIS A 18 -12.837 3.722 -1.802 1.00 0.00 N ATOM 217 CA HIS A 18 -12.984 2.547 -2.652 1.00 0.00 C ATOM 218 C HIS A 18 -11.785 1.614 -2.501 1.00 0.00 C ATOM 219 O HIS A 18 -11.912 0.396 -2.634 1.00 0.00 O ATOM 220 CB HIS A 18 -13.139 2.965 -4.115 1.00 0.00 C ATOM 221 CG HIS A 18 -13.849 1.949 -4.956 1.00 0.00 C ATOM 222 ND1 HIS A 18 -14.984 1.287 -4.538 1.00 0.00 N ATOM 223 CD2 HIS A 18 -13.580 1.485 -6.199 1.00 0.00 C ATOM 224 CE1 HIS A 18 -15.382 0.458 -5.487 1.00 0.00 C ATOM 225 NE2 HIS A 18 -14.547 0.559 -6.505 1.00 0.00 N ATOM 0 H HIS A 18 -12.567 4.571 -2.299 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.880 2.012 -2.338 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.685 3.907 -4.159 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.152 3.149 -4.538 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -12.758 1.787 -6.832 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -16.243 -0.192 -5.438 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -14.610 0.034 -7.377 1.00 0.00 H new ATOM 234 N LEU A 19 -10.622 2.194 -2.224 1.00 0.00 N ATOM 235 CA LEU A 19 -9.400 1.415 -2.056 1.00 0.00 C ATOM 236 C LEU A 19 -9.646 0.202 -1.164 1.00 0.00 C ATOM 237 O LEU A 19 -9.261 -0.916 -1.503 1.00 0.00 O ATOM 238 CB LEU A 19 -8.295 2.287 -1.458 1.00 0.00 C ATOM 239 CG LEU A 19 -6.863 1.907 -1.835 1.00 0.00 C ATOM 240 CD1 LEU A 19 -5.866 2.626 -0.939 1.00 0.00 C ATOM 241 CD2 LEU A 19 -6.670 0.400 -1.749 1.00 0.00 C ATOM 0 H LEU A 19 -10.500 3.200 -2.111 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.085 1.062 -3.038 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.468 3.319 -1.764 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.384 2.257 -0.372 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.685 2.217 -2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.852 2.343 -1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.987 3.703 -1.051 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.044 2.347 0.100 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.645 0.148 -2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.868 0.065 -0.731 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.359 -0.095 -2.434 1.00 0.00 H new ATOM 253 N GLN A 20 -10.291 0.433 -0.025 1.00 0.00 N ATOM 254 CA GLN A 20 -10.589 -0.641 0.914 1.00 0.00 C ATOM 255 C GLN A 20 -11.361 -1.765 0.230 1.00 0.00 C ATOM 256 O GLN A 20 -11.221 -2.934 0.586 1.00 0.00 O ATOM 257 CB GLN A 20 -11.392 -0.103 2.100 1.00 0.00 C ATOM 258 CG GLN A 20 -10.635 0.918 2.933 1.00 0.00 C ATOM 259 CD GLN A 20 -9.812 0.278 4.034 1.00 0.00 C ATOM 260 OE1 GLN A 20 -10.350 -0.379 4.925 1.00 0.00 O ATOM 261 NE2 GLN A 20 -8.499 0.467 3.977 1.00 0.00 N ATOM 0 H GLN A 20 -10.617 1.354 0.269 1.00 0.00 H new ATOM 0 HA GLN A 20 -9.643 -1.043 1.277 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -12.311 0.352 1.730 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -11.684 -0.937 2.739 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.978 1.496 2.283 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.344 1.618 3.375 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.096 1.019 3.220 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.894 0.060 4.690 1.00 0.00 H new ATOM 270 N GLY A 21 -12.176 -1.401 -0.755 1.00 0.00 N ATOM 271 CA GLY A 21 -12.959 -2.389 -1.474 1.00 0.00 C ATOM 272 C GLY A 21 -12.196 -3.004 -2.631 1.00 0.00 C ATOM 273 O GLY A 21 -12.632 -3.997 -3.214 1.00 0.00 O ATOM 0 H GLY A 21 -12.308 -0.439 -1.068 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.265 -3.176 -0.785 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.870 -1.923 -1.850 1.00 0.00 H new ATOM 277 N LEU A 22 -11.055 -2.412 -2.965 1.00 0.00 N ATOM 278 CA LEU A 22 -10.229 -2.906 -4.062 1.00 0.00 C ATOM 279 C LEU A 22 -8.982 -3.606 -3.532 1.00 0.00 C ATOM 280 O LEU A 22 -8.041 -3.868 -4.281 1.00 0.00 O ATOM 281 CB LEU A 22 -9.829 -1.753 -4.984 1.00 0.00 C ATOM 282 CG LEU A 22 -10.969 -0.863 -5.480 1.00 0.00 C ATOM 283 CD1 LEU A 22 -10.427 0.267 -6.343 1.00 0.00 C ATOM 284 CD2 LEU A 22 -11.991 -1.684 -6.252 1.00 0.00 C ATOM 0 H LEU A 22 -10.680 -1.589 -2.492 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.815 -3.629 -4.629 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.109 -1.127 -4.458 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.316 -2.169 -5.851 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.465 -0.425 -4.614 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.252 0.890 -6.687 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.735 0.872 -5.757 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.905 -0.151 -7.204 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -12.795 -1.033 -6.597 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.509 -2.151 -7.111 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -12.403 -2.456 -5.602 1.00 0.00 H new ATOM 296 N ILE A 23 -8.983 -3.907 -2.238 1.00 0.00 N ATOM 297 CA ILE A 23 -7.853 -4.579 -1.610 1.00 0.00 C ATOM 298 C ILE A 23 -7.686 -5.995 -2.150 1.00 0.00 C ATOM 299 O ILE A 23 -6.566 -6.482 -2.305 1.00 0.00 O ATOM 300 CB ILE A 23 -8.015 -4.642 -0.079 1.00 0.00 C ATOM 301 CG1 ILE A 23 -8.224 -3.238 0.491 1.00 0.00 C ATOM 302 CG2 ILE A 23 -6.801 -5.302 0.555 1.00 0.00 C ATOM 303 CD1 ILE A 23 -7.037 -2.322 0.292 1.00 0.00 C ATOM 0 H ILE A 23 -9.754 -3.696 -1.604 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.965 -3.994 -1.850 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.894 -5.243 0.155 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.100 -2.791 0.022 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.438 -3.316 1.557 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.930 -5.339 1.637 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.694 -6.315 0.167 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.907 -4.726 0.316 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.256 -1.344 0.721 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.163 -2.747 0.785 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.835 -2.214 -0.774 1.00 0.00 H new ATOM 315 N GLN A 24 -8.807 -6.649 -2.438 1.00 0.00 N ATOM 316 CA GLN A 24 -8.783 -8.009 -2.963 1.00 0.00 C ATOM 317 C GLN A 24 -8.240 -8.033 -4.388 1.00 0.00 C ATOM 318 O GLN A 24 -7.817 -9.077 -4.884 1.00 0.00 O ATOM 319 CB GLN A 24 -10.187 -8.615 -2.929 1.00 0.00 C ATOM 320 CG GLN A 24 -10.897 -8.433 -1.597 1.00 0.00 C ATOM 321 CD GLN A 24 -12.327 -8.935 -1.624 1.00 0.00 C ATOM 322 OE1 GLN A 24 -12.626 -10.020 -1.126 1.00 0.00 O ATOM 323 NE2 GLN A 24 -13.221 -8.145 -2.208 1.00 0.00 N ATOM 0 H GLN A 24 -9.742 -6.259 -2.317 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.122 -8.604 -2.332 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.789 -8.161 -3.717 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -10.120 -9.680 -3.153 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.345 -8.962 -0.820 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.892 -7.377 -1.328 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -12.929 -7.253 -2.608 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -14.199 -8.430 -2.256 1.00 0.00 H new ATOM 332 N VAL A 25 -8.256 -6.876 -5.042 1.00 0.00 N ATOM 333 CA VAL A 25 -7.765 -6.764 -6.410 1.00 0.00 C ATOM 334 C VAL A 25 -6.475 -5.954 -6.466 1.00 0.00 C ATOM 335 O VAL A 25 -5.804 -5.905 -7.497 1.00 0.00 O ATOM 336 CB VAL A 25 -8.811 -6.108 -7.330 1.00 0.00 C ATOM 337 CG1 VAL A 25 -10.055 -6.977 -7.429 1.00 0.00 C ATOM 338 CG2 VAL A 25 -9.161 -4.715 -6.829 1.00 0.00 C ATOM 0 H VAL A 25 -8.604 -6.003 -4.646 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.570 -7.778 -6.760 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.384 -6.013 -8.328 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.783 -6.497 -8.083 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.787 -7.951 -7.837 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.488 -7.106 -6.437 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.901 -4.266 -7.491 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.569 -4.783 -5.821 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.263 -4.097 -6.816 1.00 0.00 H new ATOM 348 N ALA A 26 -6.132 -5.319 -5.350 1.00 0.00 N ATOM 349 CA ALA A 26 -4.921 -4.512 -5.271 1.00 0.00 C ATOM 350 C ALA A 26 -3.756 -5.324 -4.714 1.00 0.00 C ATOM 351 O ALA A 26 -3.838 -5.870 -3.613 1.00 0.00 O ATOM 352 CB ALA A 26 -5.164 -3.278 -4.415 1.00 0.00 C ATOM 0 H ALA A 26 -6.676 -5.348 -4.488 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.659 -4.194 -6.280 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.251 -2.685 -4.365 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.962 -2.680 -4.856 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.454 -3.584 -3.410 1.00 0.00 H new ATOM 358 N SER A 27 -2.673 -5.400 -5.481 1.00 0.00 N ATOM 359 CA SER A 27 -1.493 -6.149 -5.065 1.00 0.00 C ATOM 360 C SER A 27 -0.677 -5.357 -4.048 1.00 0.00 C ATOM 361 O SER A 27 -0.728 -4.128 -4.018 1.00 0.00 O ATOM 362 CB SER A 27 -0.626 -6.489 -6.279 1.00 0.00 C ATOM 363 OG SER A 27 -1.211 -7.524 -7.050 1.00 0.00 O ATOM 0 H SER A 27 -2.588 -4.952 -6.394 1.00 0.00 H new ATOM 0 HA SER A 27 -1.827 -7.074 -4.595 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.495 -5.601 -6.897 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.366 -6.795 -5.947 1.00 0.00 H new ATOM 0 HG SER A 27 -0.639 -7.721 -7.821 1.00 0.00 H new ATOM 369 N ARG A 28 0.075 -6.072 -3.217 1.00 0.00 N ATOM 370 CA ARG A 28 0.901 -5.437 -2.198 1.00 0.00 C ATOM 371 C ARG A 28 1.500 -4.133 -2.717 1.00 0.00 C ATOM 372 O ARG A 28 1.380 -3.088 -2.080 1.00 0.00 O ATOM 373 CB ARG A 28 2.019 -6.383 -1.755 1.00 0.00 C ATOM 374 CG ARG A 28 2.898 -6.864 -2.898 1.00 0.00 C ATOM 375 CD ARG A 28 3.510 -8.223 -2.596 1.00 0.00 C ATOM 376 NE ARG A 28 4.716 -8.467 -3.383 1.00 0.00 N ATOM 377 CZ ARG A 28 5.873 -7.853 -3.164 1.00 0.00 C ATOM 378 NH1 ARG A 28 5.980 -6.964 -2.186 1.00 0.00 N ATOM 379 NH2 ARG A 28 6.926 -8.129 -3.922 1.00 0.00 N ATOM 0 H ARG A 28 0.129 -7.090 -3.230 1.00 0.00 H new ATOM 0 HA ARG A 28 0.266 -5.209 -1.342 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.641 -5.876 -1.018 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.577 -7.247 -1.259 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.307 -6.925 -3.812 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.691 -6.139 -3.079 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.751 -8.284 -1.535 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.778 -9.004 -2.802 1.00 0.00 H new ATOM 0 HE ARG A 28 4.667 -9.146 -4.142 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.173 -6.751 -1.600 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.870 -6.494 -2.019 1.00 0.00 H new ATOM 0 HH21 ARG A 28 6.848 -8.814 -4.674 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.814 -7.657 -3.753 1.00 0.00 H new ATOM 393 N GLU A 29 2.144 -4.205 -3.878 1.00 0.00 N ATOM 394 CA GLU A 29 2.762 -3.030 -4.481 1.00 0.00 C ATOM 395 C GLU A 29 1.739 -1.915 -4.673 1.00 0.00 C ATOM 396 O GLU A 29 2.007 -0.754 -4.365 1.00 0.00 O ATOM 397 CB GLU A 29 3.395 -3.394 -5.827 1.00 0.00 C ATOM 398 CG GLU A 29 4.679 -4.195 -5.699 1.00 0.00 C ATOM 399 CD GLU A 29 5.638 -3.947 -6.847 1.00 0.00 C ATOM 400 OE1 GLU A 29 5.960 -2.769 -7.108 1.00 0.00 O ATOM 401 OE2 GLU A 29 6.067 -4.932 -7.483 1.00 0.00 O ATOM 0 H GLU A 29 2.251 -5.063 -4.419 1.00 0.00 H new ATOM 0 HA GLU A 29 3.540 -2.673 -3.806 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.677 -3.966 -6.414 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.602 -2.478 -6.381 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.169 -3.941 -4.759 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.438 -5.257 -5.655 1.00 0.00 H new ATOM 408 N GLN A 30 0.567 -2.276 -5.184 1.00 0.00 N ATOM 409 CA GLN A 30 -0.496 -1.306 -5.418 1.00 0.00 C ATOM 410 C GLN A 30 -0.832 -0.547 -4.138 1.00 0.00 C ATOM 411 O GLN A 30 -0.858 0.684 -4.123 1.00 0.00 O ATOM 412 CB GLN A 30 -1.747 -2.007 -5.952 1.00 0.00 C ATOM 413 CG GLN A 30 -1.572 -2.582 -7.348 1.00 0.00 C ATOM 414 CD GLN A 30 -1.481 -1.509 -8.415 1.00 0.00 C ATOM 415 OE1 GLN A 30 -0.604 -0.646 -8.371 1.00 0.00 O ATOM 416 NE2 GLN A 30 -2.390 -1.556 -9.382 1.00 0.00 N ATOM 0 H GLN A 30 0.329 -3.233 -5.444 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.143 -0.591 -6.161 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -2.023 -2.810 -5.269 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -2.575 -1.298 -5.961 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.669 -3.193 -7.375 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.410 -3.242 -7.572 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.099 -2.289 -9.380 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.379 -0.859 -10.127 1.00 0.00 H new ATOM 425 N LEU A 31 -1.088 -1.289 -3.066 1.00 0.00 N ATOM 426 CA LEU A 31 -1.422 -0.686 -1.781 1.00 0.00 C ATOM 427 C LEU A 31 -0.435 0.420 -1.425 1.00 0.00 C ATOM 428 O LEU A 31 -0.826 1.488 -0.950 1.00 0.00 O ATOM 429 CB LEU A 31 -1.430 -1.751 -0.682 1.00 0.00 C ATOM 430 CG LEU A 31 -2.678 -2.632 -0.610 1.00 0.00 C ATOM 431 CD1 LEU A 31 -3.891 -1.808 -0.206 1.00 0.00 C ATOM 432 CD2 LEU A 31 -2.921 -3.322 -1.944 1.00 0.00 C ATOM 0 H LEU A 31 -1.071 -2.309 -3.061 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.417 -0.248 -1.861 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.562 -2.396 -0.822 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.305 -1.253 0.280 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.515 -3.398 0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.769 -2.452 -0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.717 -1.361 0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.057 -1.020 -0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.813 -3.945 -1.874 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.062 -2.571 -2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.062 -3.945 -2.193 1.00 0.00 H new ATOM 444 N LEU A 32 0.847 0.160 -1.658 1.00 0.00 N ATOM 445 CA LEU A 32 1.891 1.135 -1.365 1.00 0.00 C ATOM 446 C LEU A 32 1.841 2.300 -2.348 1.00 0.00 C ATOM 447 O LEU A 32 1.791 3.463 -1.946 1.00 0.00 O ATOM 448 CB LEU A 32 3.267 0.469 -1.416 1.00 0.00 C ATOM 449 CG LEU A 32 4.348 1.090 -0.530 1.00 0.00 C ATOM 450 CD1 LEU A 32 4.353 0.436 0.843 1.00 0.00 C ATOM 451 CD2 LEU A 32 5.714 0.965 -1.188 1.00 0.00 C ATOM 0 H LEU A 32 1.188 -0.718 -2.049 1.00 0.00 H new ATOM 0 HA LEU A 32 1.719 1.524 -0.361 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.152 -0.578 -1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.618 0.485 -2.448 1.00 0.00 H new ATOM 0 HG LEU A 32 4.124 2.149 -0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.128 0.890 1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.382 0.579 1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.552 -0.630 0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.471 1.412 -0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.947 -0.088 -1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.704 1.481 -2.148 1.00 0.00 H new ATOM 463 N TYR A 33 1.852 1.980 -3.637 1.00 0.00 N ATOM 464 CA TYR A 33 1.808 3.000 -4.678 1.00 0.00 C ATOM 465 C TYR A 33 0.843 4.120 -4.303 1.00 0.00 C ATOM 466 O TYR A 33 1.125 5.299 -4.521 1.00 0.00 O ATOM 467 CB TYR A 33 1.392 2.379 -6.012 1.00 0.00 C ATOM 468 CG TYR A 33 1.492 3.332 -7.182 1.00 0.00 C ATOM 469 CD1 TYR A 33 2.721 3.633 -7.755 1.00 0.00 C ATOM 470 CD2 TYR A 33 0.357 3.934 -7.712 1.00 0.00 C ATOM 471 CE1 TYR A 33 2.817 4.504 -8.823 1.00 0.00 C ATOM 472 CE2 TYR A 33 0.444 4.805 -8.780 1.00 0.00 C ATOM 473 CZ TYR A 33 1.676 5.087 -9.332 1.00 0.00 C ATOM 474 OH TYR A 33 1.767 5.956 -10.396 1.00 0.00 O ATOM 0 H TYR A 33 1.891 1.022 -3.986 1.00 0.00 H new ATOM 0 HA TYR A 33 2.807 3.424 -4.778 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.018 1.509 -6.209 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.365 2.022 -5.932 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.617 3.178 -7.359 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.609 3.717 -7.281 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.781 4.727 -9.257 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.448 5.263 -9.181 1.00 0.00 H new ATOM 0 HH TYR A 33 1.124 5.695 -11.088 1.00 0.00 H new ATOM 484 N LEU A 34 -0.298 3.744 -3.735 1.00 0.00 N ATOM 485 CA LEU A 34 -1.307 4.715 -3.328 1.00 0.00 C ATOM 486 C LEU A 34 -0.905 5.404 -2.028 1.00 0.00 C ATOM 487 O LEU A 34 -1.233 6.570 -1.804 1.00 0.00 O ATOM 488 CB LEU A 34 -2.664 4.030 -3.157 1.00 0.00 C ATOM 489 CG LEU A 34 -3.124 3.152 -4.321 1.00 0.00 C ATOM 490 CD1 LEU A 34 -4.581 2.754 -4.146 1.00 0.00 C ATOM 491 CD2 LEU A 34 -2.922 3.874 -5.645 1.00 0.00 C ATOM 0 H LEU A 34 -0.547 2.773 -3.546 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.385 5.470 -4.110 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.628 3.416 -2.257 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.418 4.799 -2.988 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.519 2.245 -4.328 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.891 2.129 -4.984 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.697 2.197 -3.216 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.201 3.650 -4.112 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.255 3.235 -6.463 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.501 4.797 -5.648 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.865 4.108 -5.774 1.00 0.00 H new ATOM 503 N TYR A 35 -0.192 4.677 -1.175 1.00 0.00 N ATOM 504 CA TYR A 35 0.255 5.219 0.103 1.00 0.00 C ATOM 505 C TYR A 35 1.205 6.394 -0.105 1.00 0.00 C ATOM 506 O TYR A 35 0.947 7.505 0.357 1.00 0.00 O ATOM 507 CB TYR A 35 0.944 4.131 0.928 1.00 0.00 C ATOM 508 CG TYR A 35 1.902 4.673 1.965 1.00 0.00 C ATOM 509 CD1 TYR A 35 3.206 5.012 1.625 1.00 0.00 C ATOM 510 CD2 TYR A 35 1.504 4.845 3.285 1.00 0.00 C ATOM 511 CE1 TYR A 35 4.085 5.507 2.569 1.00 0.00 C ATOM 512 CE2 TYR A 35 2.376 5.341 4.235 1.00 0.00 C ATOM 513 CZ TYR A 35 3.665 5.670 3.872 1.00 0.00 C ATOM 514 OH TYR A 35 4.536 6.163 4.816 1.00 0.00 O ATOM 0 H TYR A 35 0.089 3.711 -1.345 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.621 5.576 0.644 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.184 3.529 1.427 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.487 3.466 0.256 1.00 0.00 H new ATOM 0 HD1 TYR A 35 3.538 4.886 0.605 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.496 4.587 3.573 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.095 5.765 2.288 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.050 5.470 5.256 1.00 0.00 H new ATOM 0 HH TYR A 35 4.082 6.217 5.683 1.00 0.00 H new ATOM 524 N ALA A 36 2.306 6.139 -0.805 1.00 0.00 N ATOM 525 CA ALA A 36 3.294 7.175 -1.078 1.00 0.00 C ATOM 526 C ALA A 36 2.623 8.472 -1.518 1.00 0.00 C ATOM 527 O ALA A 36 2.645 9.470 -0.797 1.00 0.00 O ATOM 528 CB ALA A 36 4.277 6.701 -2.138 1.00 0.00 C ATOM 0 H ALA A 36 2.536 5.224 -1.193 1.00 0.00 H new ATOM 0 HA ALA A 36 3.839 7.374 -0.155 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.009 7.485 -2.332 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.789 5.806 -1.785 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.738 6.472 -3.058 1.00 0.00 H new ATOM 534 N ARG A 37 2.028 8.451 -2.707 1.00 0.00 N ATOM 535 CA ARG A 37 1.352 9.626 -3.244 1.00 0.00 C ATOM 536 C ARG A 37 0.456 10.267 -2.189 1.00 0.00 C ATOM 537 O ARG A 37 0.526 11.473 -1.949 1.00 0.00 O ATOM 538 CB ARG A 37 0.522 9.247 -4.471 1.00 0.00 C ATOM 539 CG ARG A 37 1.313 8.502 -5.535 1.00 0.00 C ATOM 540 CD ARG A 37 0.714 8.703 -6.918 1.00 0.00 C ATOM 541 NE ARG A 37 1.690 8.464 -7.977 1.00 0.00 N ATOM 542 CZ ARG A 37 2.684 9.298 -8.263 1.00 0.00 C ATOM 543 NH1 ARG A 37 2.832 10.419 -7.572 1.00 0.00 N ATOM 544 NH2 ARG A 37 3.532 9.010 -9.242 1.00 0.00 N ATOM 0 H ARG A 37 2.001 7.633 -3.316 1.00 0.00 H new ATOM 0 HA ARG A 37 2.113 10.349 -3.538 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.317 8.628 -4.154 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.103 10.153 -4.909 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.346 8.849 -5.531 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.333 7.438 -5.297 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.133 8.030 -7.047 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.329 9.719 -7.002 1.00 0.00 H new ATOM 0 HE ARG A 37 1.604 7.610 -8.528 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.182 10.643 -6.819 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.596 11.058 -7.794 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.421 8.148 -9.776 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.295 9.651 -9.461 1.00 0.00 H new ATOM 558 N TYR A 38 -0.387 9.453 -1.562 1.00 0.00 N ATOM 559 CA TYR A 38 -1.299 9.941 -0.535 1.00 0.00 C ATOM 560 C TYR A 38 -0.554 10.772 0.505 1.00 0.00 C ATOM 561 O TYR A 38 -0.980 11.872 0.860 1.00 0.00 O ATOM 562 CB TYR A 38 -2.008 8.769 0.146 1.00 0.00 C ATOM 563 CG TYR A 38 -3.090 9.194 1.113 1.00 0.00 C ATOM 564 CD1 TYR A 38 -2.768 9.695 2.369 1.00 0.00 C ATOM 565 CD2 TYR A 38 -4.433 9.095 0.772 1.00 0.00 C ATOM 566 CE1 TYR A 38 -3.752 10.084 3.256 1.00 0.00 C ATOM 567 CE2 TYR A 38 -5.424 9.483 1.653 1.00 0.00 C ATOM 568 CZ TYR A 38 -5.078 9.977 2.894 1.00 0.00 C ATOM 569 OH TYR A 38 -6.063 10.364 3.774 1.00 0.00 O ATOM 0 H TYR A 38 -0.457 8.452 -1.747 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.042 10.576 -1.017 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.447 8.128 -0.618 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.270 8.170 0.680 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.730 9.781 2.656 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.707 8.708 -0.198 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.484 10.470 4.228 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.463 9.400 1.372 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.942 10.225 3.363 1.00 0.00 H new ATOM 579 N LYS A 39 0.562 10.239 0.991 1.00 0.00 N ATOM 580 CA LYS A 39 1.369 10.930 1.989 1.00 0.00 C ATOM 581 C LYS A 39 2.020 12.176 1.395 1.00 0.00 C ATOM 582 O LYS A 39 2.478 13.054 2.125 1.00 0.00 O ATOM 583 CB LYS A 39 2.446 9.993 2.541 1.00 0.00 C ATOM 584 CG LYS A 39 1.906 8.937 3.489 1.00 0.00 C ATOM 585 CD LYS A 39 1.586 9.524 4.854 1.00 0.00 C ATOM 586 CE LYS A 39 2.841 10.018 5.556 1.00 0.00 C ATOM 587 NZ LYS A 39 2.631 10.176 7.022 1.00 0.00 N ATOM 0 H LYS A 39 0.928 9.330 0.709 1.00 0.00 H new ATOM 0 HA LYS A 39 0.712 11.238 2.802 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.948 9.499 1.709 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.199 10.585 3.061 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.007 8.491 3.064 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.638 8.137 3.599 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.883 10.349 4.741 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.096 8.770 5.470 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.656 9.316 5.379 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.145 10.973 5.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.509 10.514 7.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.871 10.865 7.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.366 9.259 7.436 1.00 0.00 H new ATOM 601 N GLN A 40 2.055 12.244 0.068 1.00 0.00 N ATOM 602 CA GLN A 40 2.649 13.383 -0.622 1.00 0.00 C ATOM 603 C GLN A 40 1.642 14.519 -0.763 1.00 0.00 C ATOM 604 O GLN A 40 1.967 15.683 -0.528 1.00 0.00 O ATOM 605 CB GLN A 40 3.157 12.961 -2.002 1.00 0.00 C ATOM 606 CG GLN A 40 3.904 14.062 -2.737 1.00 0.00 C ATOM 607 CD GLN A 40 5.345 14.193 -2.284 1.00 0.00 C ATOM 608 OE1 GLN A 40 5.884 13.303 -1.624 1.00 0.00 O ATOM 609 NE2 GLN A 40 5.978 15.306 -2.636 1.00 0.00 N ATOM 0 H GLN A 40 1.680 11.525 -0.550 1.00 0.00 H new ATOM 0 HA GLN A 40 3.490 13.739 -0.026 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.815 12.099 -1.890 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.311 12.639 -2.609 1.00 0.00 H new ATOM 0 HG2 GLN A 40 3.881 13.859 -3.808 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.391 15.011 -2.581 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.493 16.017 -3.183 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.949 15.450 -2.359 1.00 0.00 H new ATOM 618 N VAL A 41 0.418 14.174 -1.149 1.00 0.00 N ATOM 619 CA VAL A 41 -0.638 15.165 -1.321 1.00 0.00 C ATOM 620 C VAL A 41 -1.083 15.733 0.022 1.00 0.00 C ATOM 621 O VAL A 41 -1.565 16.863 0.102 1.00 0.00 O ATOM 622 CB VAL A 41 -1.859 14.565 -2.043 1.00 0.00 C ATOM 623 CG1 VAL A 41 -1.420 13.754 -3.252 1.00 0.00 C ATOM 624 CG2 VAL A 41 -2.676 13.710 -1.085 1.00 0.00 C ATOM 0 H VAL A 41 0.133 13.215 -1.349 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.223 15.967 -1.931 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.490 15.382 -2.394 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.296 13.338 -3.749 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.881 14.399 -3.946 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.767 12.943 -2.929 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.535 13.294 -1.611 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.056 12.899 -0.703 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.022 14.324 -0.254 1.00 0.00 H new ATOM 634 N LYS A 42 -0.917 14.942 1.076 1.00 0.00 N ATOM 635 CA LYS A 42 -1.300 15.365 2.418 1.00 0.00 C ATOM 636 C LYS A 42 -0.171 16.146 3.085 1.00 0.00 C ATOM 637 O LYS A 42 -0.374 17.260 3.566 1.00 0.00 O ATOM 638 CB LYS A 42 -1.668 14.150 3.273 1.00 0.00 C ATOM 639 CG LYS A 42 -2.900 13.411 2.780 1.00 0.00 C ATOM 640 CD LYS A 42 -4.081 14.350 2.606 1.00 0.00 C ATOM 641 CE LYS A 42 -5.346 13.592 2.235 1.00 0.00 C ATOM 642 NZ LYS A 42 -6.100 13.146 3.440 1.00 0.00 N ATOM 0 H LYS A 42 -0.520 14.004 1.027 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.169 16.018 2.332 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.824 13.460 3.292 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.836 14.476 4.299 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.678 12.925 1.830 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.161 12.624 3.488 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.246 14.904 3.530 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.854 15.082 1.831 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.984 14.229 1.622 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.085 12.725 1.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.136 12.107 3.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.624 13.494 4.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.068 13.525 3.404 1.00 0.00 H new ATOM 656 N VAL A 43 1.019 15.554 3.108 1.00 0.00 N ATOM 657 CA VAL A 43 2.180 16.195 3.713 1.00 0.00 C ATOM 658 C VAL A 43 2.939 17.034 2.691 1.00 0.00 C ATOM 659 O VAL A 43 2.991 18.259 2.794 1.00 0.00 O ATOM 660 CB VAL A 43 3.140 15.157 4.323 1.00 0.00 C ATOM 661 CG1 VAL A 43 4.200 15.843 5.171 1.00 0.00 C ATOM 662 CG2 VAL A 43 2.368 14.136 5.145 1.00 0.00 C ATOM 0 H VAL A 43 1.204 14.631 2.714 1.00 0.00 H new ATOM 0 HA VAL A 43 1.806 16.843 4.506 1.00 0.00 H new ATOM 0 HB VAL A 43 3.642 14.632 3.511 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.869 15.093 5.594 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.773 16.532 4.550 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.719 16.396 5.978 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.062 13.410 5.569 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.837 14.644 5.951 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.651 13.622 4.506 1.00 0.00 H new ATOM 672 N GLY A 44 3.527 16.365 1.704 1.00 0.00 N ATOM 673 CA GLY A 44 4.276 17.065 0.677 1.00 0.00 C ATOM 674 C GLY A 44 5.668 16.497 0.485 1.00 0.00 C ATOM 675 O GLY A 44 5.864 15.284 0.548 1.00 0.00 O ATOM 0 H GLY A 44 3.498 15.351 1.597 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.732 17.011 -0.266 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.351 18.120 0.942 1.00 0.00 H new ATOM 679 N ASN A 45 6.637 17.376 0.248 1.00 0.00 N ATOM 680 CA ASN A 45 8.018 16.954 0.043 1.00 0.00 C ATOM 681 C ASN A 45 8.509 16.114 1.218 1.00 0.00 C ATOM 682 O ASN A 45 8.619 16.605 2.342 1.00 0.00 O ATOM 683 CB ASN A 45 8.923 18.173 -0.141 1.00 0.00 C ATOM 684 CG ASN A 45 8.441 19.090 -1.249 1.00 0.00 C ATOM 685 OD1 ASN A 45 7.453 19.807 -1.091 1.00 0.00 O ATOM 686 ND2 ASN A 45 9.139 19.069 -2.379 1.00 0.00 N ATOM 0 H ASN A 45 6.491 18.384 0.193 1.00 0.00 H new ATOM 0 HA ASN A 45 8.056 16.343 -0.859 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.970 18.731 0.794 1.00 0.00 H new ATOM 0 HB3 ASN A 45 9.936 17.839 -0.365 1.00 0.00 H new ATOM 0 HD21 ASN A 45 8.862 19.663 -3.160 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.952 18.459 -2.465 1.00 0.00 H new ATOM 693 N CYS A 46 8.805 14.847 0.950 1.00 0.00 N ATOM 694 CA CYS A 46 9.285 13.938 1.984 1.00 0.00 C ATOM 695 C CYS A 46 10.251 14.649 2.927 1.00 0.00 C ATOM 696 O CYS A 46 11.234 15.245 2.489 1.00 0.00 O ATOM 697 CB CYS A 46 9.970 12.727 1.350 1.00 0.00 C ATOM 698 SG CYS A 46 10.747 11.611 2.542 1.00 0.00 S ATOM 0 H CYS A 46 8.721 14.426 0.025 1.00 0.00 H new ATOM 0 HA CYS A 46 8.426 13.598 2.562 1.00 0.00 H new ATOM 0 HB2 CYS A 46 9.234 12.168 0.771 1.00 0.00 H new ATOM 0 HB3 CYS A 46 10.728 13.077 0.649 1.00 0.00 H new ATOM 0 HG CYS A 46 11.111 10.518 1.940 1.00 0.00 H new ATOM 704 N ASN A 47 9.963 14.581 4.222 1.00 0.00 N ATOM 705 CA ASN A 47 10.805 15.220 5.227 1.00 0.00 C ATOM 706 C ASN A 47 11.231 14.219 6.296 1.00 0.00 C ATOM 707 O ASN A 47 12.339 14.295 6.828 1.00 0.00 O ATOM 708 CB ASN A 47 10.063 16.391 5.875 1.00 0.00 C ATOM 709 CG ASN A 47 8.901 15.933 6.736 1.00 0.00 C ATOM 710 OD1 ASN A 47 8.977 15.956 7.964 1.00 0.00 O ATOM 711 ND2 ASN A 47 7.817 15.514 6.092 1.00 0.00 N ATOM 0 H ASN A 47 9.153 14.090 4.601 1.00 0.00 H new ATOM 0 HA ASN A 47 11.699 15.596 4.730 1.00 0.00 H new ATOM 0 HB2 ASN A 47 10.759 16.966 6.485 1.00 0.00 H new ATOM 0 HB3 ASN A 47 9.694 17.059 5.097 1.00 0.00 H new ATOM 0 HD21 ASN A 47 7.003 15.194 6.617 1.00 0.00 H new ATOM 0 HD22 ASN A 47 7.798 15.512 5.072 1.00 0.00 H new ATOM 718 N THR A 48 10.343 13.279 6.607 1.00 0.00 N ATOM 719 CA THR A 48 10.626 12.263 7.613 1.00 0.00 C ATOM 720 C THR A 48 11.989 11.622 7.378 1.00 0.00 C ATOM 721 O THR A 48 12.460 11.504 6.247 1.00 0.00 O ATOM 722 CB THR A 48 9.548 11.163 7.619 1.00 0.00 C ATOM 723 OG1 THR A 48 9.230 10.782 6.275 1.00 0.00 O ATOM 724 CG2 THR A 48 8.290 11.642 8.327 1.00 0.00 C ATOM 0 H THR A 48 9.422 13.201 6.176 1.00 0.00 H new ATOM 0 HA THR A 48 10.626 12.766 8.580 1.00 0.00 H new ATOM 0 HB THR A 48 9.942 10.301 8.157 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.273 10.920 6.114 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.543 10.848 8.319 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.530 11.904 9.358 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.894 12.518 7.813 1.00 0.00 H new ATOM 732 N PRO A 49 12.640 11.196 8.471 1.00 0.00 N ATOM 733 CA PRO A 49 13.958 10.558 8.409 1.00 0.00 C ATOM 734 C PRO A 49 13.901 9.169 7.781 1.00 0.00 C ATOM 735 O PRO A 49 12.910 8.452 7.924 1.00 0.00 O ATOM 736 CB PRO A 49 14.376 10.464 9.878 1.00 0.00 C ATOM 737 CG PRO A 49 13.094 10.449 10.637 1.00 0.00 C ATOM 738 CD PRO A 49 12.138 11.303 9.851 1.00 0.00 C ATOM 0 HA PRO A 49 14.655 11.122 7.789 1.00 0.00 H new ATOM 0 HB2 PRO A 49 14.958 9.562 10.067 1.00 0.00 H new ATOM 0 HB3 PRO A 49 14.998 11.311 10.168 1.00 0.00 H new ATOM 0 HG2 PRO A 49 12.714 9.433 10.741 1.00 0.00 H new ATOM 0 HG3 PRO A 49 13.232 10.843 11.644 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.113 10.941 9.935 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.141 12.335 10.201 1.00 0.00 H new ATOM 746 N LYS A 50 14.970 8.795 7.086 1.00 0.00 N ATOM 747 CA LYS A 50 15.043 7.491 6.438 1.00 0.00 C ATOM 748 C LYS A 50 14.927 6.366 7.462 1.00 0.00 C ATOM 749 O LYS A 50 15.604 6.359 8.491 1.00 0.00 O ATOM 750 CB LYS A 50 16.356 7.356 5.663 1.00 0.00 C ATOM 751 CG LYS A 50 16.358 6.212 4.664 1.00 0.00 C ATOM 752 CD LYS A 50 17.660 6.158 3.881 1.00 0.00 C ATOM 753 CE LYS A 50 17.524 5.299 2.634 1.00 0.00 C ATOM 754 NZ LYS A 50 18.545 5.647 1.607 1.00 0.00 N ATOM 0 H LYS A 50 15.798 9.377 6.957 1.00 0.00 H new ATOM 0 HA LYS A 50 14.208 7.412 5.742 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.554 8.289 5.135 1.00 0.00 H new ATOM 0 HB3 LYS A 50 17.172 7.211 6.370 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.209 5.269 5.189 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.522 6.328 3.974 1.00 0.00 H new ATOM 0 HD2 LYS A 50 17.958 7.168 3.598 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.451 5.758 4.515 1.00 0.00 H new ATOM 0 HE2 LYS A 50 17.624 4.248 2.904 1.00 0.00 H new ATOM 0 HE3 LYS A 50 16.527 5.426 2.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.419 5.039 0.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 18.433 6.643 1.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.497 5.502 2.000 1.00 0.00 H new ATOM 768 N PRO A 51 14.051 5.392 7.176 1.00 0.00 N ATOM 769 CA PRO A 51 13.829 4.243 8.060 1.00 0.00 C ATOM 770 C PRO A 51 15.023 3.295 8.090 1.00 0.00 C ATOM 771 O PRO A 51 15.826 3.264 7.158 1.00 0.00 O ATOM 772 CB PRO A 51 12.612 3.551 7.441 1.00 0.00 C ATOM 773 CG PRO A 51 12.641 3.945 6.005 1.00 0.00 C ATOM 774 CD PRO A 51 13.211 5.336 5.968 1.00 0.00 C ATOM 0 HA PRO A 51 13.683 4.548 9.096 1.00 0.00 H new ATOM 0 HB2 PRO A 51 12.671 2.469 7.556 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.688 3.872 7.921 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.254 3.256 5.424 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.640 3.922 5.574 1.00 0.00 H new ATOM 0 HD2 PRO A 51 13.795 5.507 5.064 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.427 6.093 5.988 1.00 0.00 H new ATOM 782 N SER A 52 15.132 2.523 9.167 1.00 0.00 N ATOM 783 CA SER A 52 16.230 1.576 9.319 1.00 0.00 C ATOM 784 C SER A 52 16.205 0.531 8.208 1.00 0.00 C ATOM 785 O SER A 52 15.205 0.379 7.506 1.00 0.00 O ATOM 786 CB SER A 52 16.152 0.889 10.684 1.00 0.00 C ATOM 787 OG SER A 52 17.418 0.382 11.073 1.00 0.00 O ATOM 0 H SER A 52 14.474 2.535 9.946 1.00 0.00 H new ATOM 0 HA SER A 52 17.167 2.129 9.251 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.795 1.598 11.431 1.00 0.00 H new ATOM 0 HB3 SER A 52 15.427 0.076 10.644 1.00 0.00 H new ATOM 0 HG SER A 52 17.342 -0.051 11.949 1.00 0.00 H new ATOM 793 N PHE A 53 17.313 -0.187 8.055 1.00 0.00 N ATOM 794 CA PHE A 53 17.420 -1.217 7.029 1.00 0.00 C ATOM 795 C PHE A 53 16.619 -2.457 7.417 1.00 0.00 C ATOM 796 O PHE A 53 15.909 -3.034 6.594 1.00 0.00 O ATOM 797 CB PHE A 53 18.886 -1.593 6.804 1.00 0.00 C ATOM 798 CG PHE A 53 19.069 -2.792 5.918 1.00 0.00 C ATOM 799 CD1 PHE A 53 19.010 -2.667 4.539 1.00 0.00 C ATOM 800 CD2 PHE A 53 19.300 -4.045 6.464 1.00 0.00 C ATOM 801 CE1 PHE A 53 19.177 -3.769 3.722 1.00 0.00 C ATOM 802 CE2 PHE A 53 19.468 -5.150 5.651 1.00 0.00 C ATOM 803 CZ PHE A 53 19.407 -5.012 4.279 1.00 0.00 C ATOM 0 H PHE A 53 18.149 -0.074 8.628 1.00 0.00 H new ATOM 0 HA PHE A 53 17.009 -0.815 6.103 1.00 0.00 H new ATOM 0 HB2 PHE A 53 19.407 -0.743 6.364 1.00 0.00 H new ATOM 0 HB3 PHE A 53 19.354 -1.789 7.768 1.00 0.00 H new ATOM 0 HD1 PHE A 53 18.832 -1.697 4.098 1.00 0.00 H new ATOM 0 HD2 PHE A 53 19.349 -4.159 7.537 1.00 0.00 H new ATOM 0 HE1 PHE A 53 19.128 -3.658 2.649 1.00 0.00 H new ATOM 0 HE2 PHE A 53 19.647 -6.121 6.089 1.00 0.00 H new ATOM 0 HZ PHE A 53 19.539 -5.874 3.642 1.00 0.00 H new ATOM 813 N PHE A 54 16.740 -2.860 8.678 1.00 0.00 N ATOM 814 CA PHE A 54 16.029 -4.032 9.176 1.00 0.00 C ATOM 815 C PHE A 54 14.525 -3.780 9.215 1.00 0.00 C ATOM 816 O PHE A 54 13.732 -4.711 9.364 1.00 0.00 O ATOM 817 CB PHE A 54 16.531 -4.403 10.573 1.00 0.00 C ATOM 818 CG PHE A 54 18.025 -4.537 10.658 1.00 0.00 C ATOM 819 CD1 PHE A 54 18.728 -5.228 9.684 1.00 0.00 C ATOM 820 CD2 PHE A 54 18.726 -3.971 11.710 1.00 0.00 C ATOM 821 CE1 PHE A 54 20.102 -5.353 9.760 1.00 0.00 C ATOM 822 CE2 PHE A 54 20.100 -4.092 11.791 1.00 0.00 C ATOM 823 CZ PHE A 54 20.789 -4.783 10.814 1.00 0.00 C ATOM 0 H PHE A 54 17.323 -2.393 9.373 1.00 0.00 H new ATOM 0 HA PHE A 54 16.223 -4.861 8.495 1.00 0.00 H new ATOM 0 HB2 PHE A 54 16.202 -3.644 11.282 1.00 0.00 H new ATOM 0 HB3 PHE A 54 16.072 -5.344 10.877 1.00 0.00 H new ATOM 0 HD1 PHE A 54 18.196 -5.674 8.856 1.00 0.00 H new ATOM 0 HD2 PHE A 54 18.192 -3.429 12.476 1.00 0.00 H new ATOM 0 HE1 PHE A 54 20.638 -5.896 8.996 1.00 0.00 H new ATOM 0 HE2 PHE A 54 20.634 -3.647 12.617 1.00 0.00 H new ATOM 0 HZ PHE A 54 21.863 -4.878 10.874 1.00 0.00 H new ATOM 833 N ASP A 55 14.139 -2.516 9.080 1.00 0.00 N ATOM 834 CA ASP A 55 12.730 -2.141 9.098 1.00 0.00 C ATOM 835 C ASP A 55 12.194 -1.970 7.680 1.00 0.00 C ATOM 836 O ASP A 55 11.941 -0.852 7.231 1.00 0.00 O ATOM 837 CB ASP A 55 12.536 -0.846 9.889 1.00 0.00 C ATOM 838 CG ASP A 55 12.280 -1.100 11.362 1.00 0.00 C ATOM 839 OD1 ASP A 55 11.101 -1.270 11.738 1.00 0.00 O ATOM 840 OD2 ASP A 55 13.258 -1.129 12.138 1.00 0.00 O ATOM 0 H ASP A 55 14.782 -1.734 8.957 1.00 0.00 H new ATOM 0 HA ASP A 55 12.172 -2.942 9.583 1.00 0.00 H new ATOM 0 HB2 ASP A 55 13.422 -0.221 9.780 1.00 0.00 H new ATOM 0 HB3 ASP A 55 11.699 -0.289 9.469 1.00 0.00 H new ATOM 845 N PHE A 56 12.025 -3.086 6.979 1.00 0.00 N ATOM 846 CA PHE A 56 11.521 -3.060 5.611 1.00 0.00 C ATOM 847 C PHE A 56 10.082 -2.554 5.570 1.00 0.00 C ATOM 848 O PHE A 56 9.769 -1.602 4.856 1.00 0.00 O ATOM 849 CB PHE A 56 11.601 -4.456 4.989 1.00 0.00 C ATOM 850 CG PHE A 56 12.644 -5.334 5.619 1.00 0.00 C ATOM 851 CD1 PHE A 56 12.344 -6.096 6.737 1.00 0.00 C ATOM 852 CD2 PHE A 56 13.924 -5.398 5.093 1.00 0.00 C ATOM 853 CE1 PHE A 56 13.301 -6.905 7.319 1.00 0.00 C ATOM 854 CE2 PHE A 56 14.885 -6.206 5.671 1.00 0.00 C ATOM 855 CZ PHE A 56 14.574 -6.960 6.785 1.00 0.00 C ATOM 0 H PHE A 56 12.230 -4.019 7.336 1.00 0.00 H new ATOM 0 HA PHE A 56 12.144 -2.376 5.034 1.00 0.00 H new ATOM 0 HB2 PHE A 56 10.629 -4.940 5.077 1.00 0.00 H new ATOM 0 HB3 PHE A 56 11.814 -4.359 3.924 1.00 0.00 H new ATOM 0 HD1 PHE A 56 11.350 -6.057 7.158 1.00 0.00 H new ATOM 0 HD2 PHE A 56 14.174 -4.810 4.222 1.00 0.00 H new ATOM 0 HE1 PHE A 56 13.054 -7.494 8.190 1.00 0.00 H new ATOM 0 HE2 PHE A 56 15.879 -6.248 5.251 1.00 0.00 H new ATOM 0 HZ PHE A 56 15.324 -7.591 7.238 1.00 0.00 H new ATOM 865 N GLU A 57 9.213 -3.199 6.341 1.00 0.00 N ATOM 866 CA GLU A 57 7.807 -2.815 6.392 1.00 0.00 C ATOM 867 C GLU A 57 7.651 -1.302 6.273 1.00 0.00 C ATOM 868 O GLU A 57 6.790 -0.811 5.544 1.00 0.00 O ATOM 869 CB GLU A 57 7.169 -3.303 7.694 1.00 0.00 C ATOM 870 CG GLU A 57 7.482 -4.754 8.019 1.00 0.00 C ATOM 871 CD GLU A 57 6.699 -5.267 9.212 1.00 0.00 C ATOM 872 OE1 GLU A 57 6.506 -4.494 10.173 1.00 0.00 O ATOM 873 OE2 GLU A 57 6.279 -6.443 9.183 1.00 0.00 O ATOM 0 H GLU A 57 9.457 -3.989 6.938 1.00 0.00 H new ATOM 0 HA GLU A 57 7.299 -3.283 5.549 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.512 -2.673 8.515 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.088 -3.179 7.628 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.260 -5.373 7.150 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.549 -4.856 8.218 1.00 0.00 H new ATOM 880 N GLY A 58 8.492 -0.567 6.995 1.00 0.00 N ATOM 881 CA GLY A 58 8.431 0.882 6.958 1.00 0.00 C ATOM 882 C GLY A 58 9.347 1.473 5.904 1.00 0.00 C ATOM 883 O GLY A 58 9.163 2.615 5.480 1.00 0.00 O ATOM 0 H GLY A 58 9.214 -0.950 7.605 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.406 1.195 6.761 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.703 1.279 7.936 1.00 0.00 H new ATOM 887 N LYS A 59 10.338 0.696 5.481 1.00 0.00 N ATOM 888 CA LYS A 59 11.287 1.149 4.470 1.00 0.00 C ATOM 889 C LYS A 59 10.585 1.409 3.142 1.00 0.00 C ATOM 890 O LYS A 59 10.482 2.552 2.698 1.00 0.00 O ATOM 891 CB LYS A 59 12.394 0.109 4.279 1.00 0.00 C ATOM 892 CG LYS A 59 13.629 0.657 3.585 1.00 0.00 C ATOM 893 CD LYS A 59 14.803 -0.301 3.697 1.00 0.00 C ATOM 894 CE LYS A 59 14.592 -1.544 2.847 1.00 0.00 C ATOM 895 NZ LYS A 59 15.882 -2.192 2.481 1.00 0.00 N ATOM 0 H LYS A 59 10.505 -0.251 5.822 1.00 0.00 H new ATOM 0 HA LYS A 59 11.729 2.083 4.815 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.681 -0.288 5.253 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.001 -0.725 3.698 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.406 0.839 2.534 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.899 1.617 4.025 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.717 0.204 3.384 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.939 -0.590 4.739 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.970 -2.255 3.391 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.050 -1.276 1.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.695 -3.035 1.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 16.465 -1.523 1.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 16.388 -2.471 3.346 1.00 0.00 H new ATOM 909 N GLN A 60 10.103 0.341 2.513 1.00 0.00 N ATOM 910 CA GLN A 60 9.409 0.456 1.236 1.00 0.00 C ATOM 911 C GLN A 60 8.511 1.688 1.213 1.00 0.00 C ATOM 912 O GLN A 60 8.538 2.472 0.264 1.00 0.00 O ATOM 913 CB GLN A 60 8.579 -0.801 0.968 1.00 0.00 C ATOM 914 CG GLN A 60 7.705 -1.214 2.141 1.00 0.00 C ATOM 915 CD GLN A 60 7.225 -2.648 2.034 1.00 0.00 C ATOM 916 OE1 GLN A 60 7.558 -3.490 2.869 1.00 0.00 O ATOM 917 NE2 GLN A 60 6.438 -2.934 1.004 1.00 0.00 N ATOM 0 H GLN A 60 10.181 -0.612 2.867 1.00 0.00 H new ATOM 0 HA GLN A 60 10.159 0.562 0.452 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.947 -0.630 0.097 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.250 -1.623 0.718 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.265 -1.090 3.068 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.843 -0.550 2.199 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.187 -2.205 0.336 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.084 -3.883 0.881 1.00 0.00 H new ATOM 926 N LYS A 61 7.713 1.852 2.263 1.00 0.00 N ATOM 927 CA LYS A 61 6.806 2.989 2.365 1.00 0.00 C ATOM 928 C LYS A 61 7.559 4.304 2.189 1.00 0.00 C ATOM 929 O LYS A 61 7.247 5.095 1.299 1.00 0.00 O ATOM 930 CB LYS A 61 6.090 2.977 3.717 1.00 0.00 C ATOM 931 CG LYS A 61 5.491 1.628 4.076 1.00 0.00 C ATOM 932 CD LYS A 61 4.552 1.733 5.265 1.00 0.00 C ATOM 933 CE LYS A 61 3.129 2.044 4.826 1.00 0.00 C ATOM 934 NZ LYS A 61 2.141 1.764 5.904 1.00 0.00 N ATOM 0 H LYS A 61 7.676 1.211 3.056 1.00 0.00 H new ATOM 0 HA LYS A 61 6.067 2.904 1.568 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.795 3.271 4.495 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.298 3.726 3.706 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.950 1.229 3.218 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.291 0.923 4.304 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.565 0.797 5.824 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.904 2.513 5.940 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.060 3.092 4.534 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.883 1.451 3.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.184 1.989 5.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.188 0.759 6.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.360 2.349 6.736 1.00 0.00 H new ATOM 948 N TRP A 62 8.552 4.530 3.041 1.00 0.00 N ATOM 949 CA TRP A 62 9.351 5.749 2.978 1.00 0.00 C ATOM 950 C TRP A 62 9.849 6.001 1.559 1.00 0.00 C ATOM 951 O TRP A 62 9.522 7.018 0.949 1.00 0.00 O ATOM 952 CB TRP A 62 10.538 5.656 3.939 1.00 0.00 C ATOM 953 CG TRP A 62 11.274 6.951 4.100 1.00 0.00 C ATOM 954 CD1 TRP A 62 10.917 8.003 4.894 1.00 0.00 C ATOM 955 CD2 TRP A 62 12.492 7.332 3.450 1.00 0.00 C ATOM 956 NE1 TRP A 62 11.839 9.015 4.777 1.00 0.00 N ATOM 957 CE2 TRP A 62 12.816 8.627 3.898 1.00 0.00 C ATOM 958 CE3 TRP A 62 13.341 6.703 2.536 1.00 0.00 C ATOM 959 CZ2 TRP A 62 13.951 9.304 3.460 1.00 0.00 C ATOM 960 CZ3 TRP A 62 14.467 7.376 2.102 1.00 0.00 C ATOM 961 CH2 TRP A 62 14.765 8.665 2.564 1.00 0.00 C ATOM 0 H TRP A 62 8.823 3.886 3.784 1.00 0.00 H new ATOM 0 HA TRP A 62 8.717 6.585 3.274 1.00 0.00 H new ATOM 0 HB2 TRP A 62 10.182 5.325 4.914 1.00 0.00 H new ATOM 0 HB3 TRP A 62 11.230 4.895 3.578 1.00 0.00 H new ATOM 0 HD1 TRP A 62 10.039 8.035 5.522 1.00 0.00 H new ATOM 0 HE1 TRP A 62 11.802 9.910 5.265 1.00 0.00 H new ATOM 0 HE3 TRP A 62 13.121 5.709 2.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 14.181 10.298 3.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 15.129 6.900 1.394 1.00 0.00 H new ATOM 0 HH2 TRP A 62 15.654 9.164 2.206 1.00 0.00 H new ATOM 972 N GLU A 63 10.640 5.067 1.040 1.00 0.00 N ATOM 973 CA GLU A 63 11.183 5.191 -0.308 1.00 0.00 C ATOM 974 C GLU A 63 10.123 5.710 -1.276 1.00 0.00 C ATOM 975 O GLU A 63 10.248 6.806 -1.820 1.00 0.00 O ATOM 976 CB GLU A 63 11.715 3.840 -0.793 1.00 0.00 C ATOM 977 CG GLU A 63 12.896 3.326 0.012 1.00 0.00 C ATOM 978 CD GLU A 63 13.662 2.234 -0.708 1.00 0.00 C ATOM 979 OE1 GLU A 63 13.315 1.048 -0.527 1.00 0.00 O ATOM 980 OE2 GLU A 63 14.609 2.565 -1.452 1.00 0.00 O ATOM 0 H GLU A 63 10.919 4.218 1.531 1.00 0.00 H new ATOM 0 HA GLU A 63 12.004 5.907 -0.277 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.910 3.106 -0.751 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.010 3.929 -1.838 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.570 4.154 0.230 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.540 2.944 0.969 1.00 0.00 H new ATOM 987 N ALA A 64 9.081 4.913 -1.486 1.00 0.00 N ATOM 988 CA ALA A 64 7.998 5.291 -2.386 1.00 0.00 C ATOM 989 C ALA A 64 7.634 6.762 -2.218 1.00 0.00 C ATOM 990 O ALA A 64 7.533 7.502 -3.196 1.00 0.00 O ATOM 991 CB ALA A 64 6.780 4.412 -2.145 1.00 0.00 C ATOM 0 H ALA A 64 8.964 4.001 -1.045 1.00 0.00 H new ATOM 0 HA ALA A 64 8.341 5.143 -3.410 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.979 4.706 -2.824 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.043 3.369 -2.323 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.444 4.530 -1.115 1.00 0.00 H new ATOM 997 N TRP A 65 7.437 7.179 -0.972 1.00 0.00 N ATOM 998 CA TRP A 65 7.082 8.563 -0.677 1.00 0.00 C ATOM 999 C TRP A 65 8.292 9.479 -0.827 1.00 0.00 C ATOM 1000 O TRP A 65 8.150 10.688 -1.008 1.00 0.00 O ATOM 1001 CB TRP A 65 6.515 8.674 0.739 1.00 0.00 C ATOM 1002 CG TRP A 65 6.205 10.083 1.146 1.00 0.00 C ATOM 1003 CD1 TRP A 65 5.899 11.126 0.319 1.00 0.00 C ATOM 1004 CD2 TRP A 65 6.173 10.603 2.479 1.00 0.00 C ATOM 1005 NE1 TRP A 65 5.678 12.263 1.058 1.00 0.00 N ATOM 1006 CE2 TRP A 65 5.840 11.968 2.386 1.00 0.00 C ATOM 1007 CE3 TRP A 65 6.392 10.048 3.743 1.00 0.00 C ATOM 1008 CZ2 TRP A 65 5.722 12.784 3.509 1.00 0.00 C ATOM 1009 CZ3 TRP A 65 6.274 10.858 4.856 1.00 0.00 C ATOM 1010 CH2 TRP A 65 5.941 12.214 4.733 1.00 0.00 C ATOM 0 H TRP A 65 7.517 6.579 -0.151 1.00 0.00 H new ATOM 0 HA TRP A 65 6.321 8.878 -1.391 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.606 8.076 0.807 1.00 0.00 H new ATOM 0 HB3 TRP A 65 7.230 8.249 1.443 1.00 0.00 H new ATOM 0 HD1 TRP A 65 5.839 11.066 -0.758 1.00 0.00 H new ATOM 0 HE1 TRP A 65 5.433 13.178 0.679 1.00 0.00 H new ATOM 0 HE3 TRP A 65 6.649 9.004 3.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 5.467 13.829 3.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 6.441 10.439 5.837 1.00 0.00 H new ATOM 0 HH2 TRP A 65 5.856 12.821 5.622 1.00 0.00 H new ATOM 1021 N LYS A 66 9.483 8.895 -0.750 1.00 0.00 N ATOM 1022 CA LYS A 66 10.719 9.658 -0.879 1.00 0.00 C ATOM 1023 C LYS A 66 10.968 10.050 -2.332 1.00 0.00 C ATOM 1024 O LYS A 66 11.267 11.205 -2.631 1.00 0.00 O ATOM 1025 CB LYS A 66 11.902 8.845 -0.348 1.00 0.00 C ATOM 1026 CG LYS A 66 13.252 9.487 -0.621 1.00 0.00 C ATOM 1027 CD LYS A 66 13.505 10.667 0.302 1.00 0.00 C ATOM 1028 CE LYS A 66 14.754 11.434 -0.103 1.00 0.00 C ATOM 1029 NZ LYS A 66 15.973 10.899 0.565 1.00 0.00 N ATOM 0 H LYS A 66 9.619 7.895 -0.599 1.00 0.00 H new ATOM 0 HA LYS A 66 10.618 10.569 -0.289 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.785 8.708 0.727 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.883 7.853 -0.800 1.00 0.00 H new ATOM 0 HG2 LYS A 66 14.041 8.746 -0.491 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.295 9.819 -1.658 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.644 11.336 0.284 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.611 10.312 1.327 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.879 11.380 -1.184 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.632 12.487 0.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 16.817 11.355 0.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 15.925 11.096 1.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 16.030 9.872 0.413 1.00 0.00 H new ATOM 1043 N ALA A 67 10.842 9.080 -3.231 1.00 0.00 N ATOM 1044 CA ALA A 67 11.050 9.324 -4.653 1.00 0.00 C ATOM 1045 C ALA A 67 10.287 10.561 -5.115 1.00 0.00 C ATOM 1046 O ALA A 67 10.682 11.224 -6.075 1.00 0.00 O ATOM 1047 CB ALA A 67 10.628 8.108 -5.465 1.00 0.00 C ATOM 0 H ALA A 67 10.597 8.117 -3.000 1.00 0.00 H new ATOM 0 HA ALA A 67 12.113 9.503 -4.814 1.00 0.00 H new ATOM 0 HB1 ALA A 67 10.789 8.305 -6.525 1.00 0.00 H new ATOM 0 HB2 ALA A 67 11.220 7.245 -5.162 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.572 7.903 -5.290 1.00 0.00 H new ATOM 1053 N LEU A 68 9.193 10.867 -4.426 1.00 0.00 N ATOM 1054 CA LEU A 68 8.374 12.025 -4.766 1.00 0.00 C ATOM 1055 C LEU A 68 8.913 13.288 -4.101 1.00 0.00 C ATOM 1056 O LEU A 68 8.170 14.029 -3.459 1.00 0.00 O ATOM 1057 CB LEU A 68 6.923 11.791 -4.341 1.00 0.00 C ATOM 1058 CG LEU A 68 6.289 10.482 -4.813 1.00 0.00 C ATOM 1059 CD1 LEU A 68 4.842 10.394 -4.353 1.00 0.00 C ATOM 1060 CD2 LEU A 68 6.377 10.361 -6.327 1.00 0.00 C ATOM 0 H LEU A 68 8.853 10.329 -3.629 1.00 0.00 H new ATOM 0 HA LEU A 68 8.412 12.161 -5.847 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.874 11.823 -3.253 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.319 12.619 -4.712 1.00 0.00 H new ATOM 0 HG LEU A 68 6.841 9.653 -4.370 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.407 9.456 -4.698 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.803 10.433 -3.264 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.277 11.230 -4.767 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.921 9.423 -6.644 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.850 11.196 -6.790 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.423 10.377 -6.633 1.00 0.00 H new ATOM 1072 N GLY A 69 10.211 13.526 -4.261 1.00 0.00 N ATOM 1073 CA GLY A 69 10.827 14.701 -3.672 1.00 0.00 C ATOM 1074 C GLY A 69 10.365 15.988 -4.326 1.00 0.00 C ATOM 1075 O GLY A 69 9.983 16.937 -3.642 1.00 0.00 O ATOM 0 H GLY A 69 10.847 12.927 -4.787 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.594 14.734 -2.608 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.911 14.622 -3.759 1.00 0.00 H new ATOM 1079 N ASP A 70 10.401 16.021 -5.653 1.00 0.00 N ATOM 1080 CA ASP A 70 9.983 17.202 -6.400 1.00 0.00 C ATOM 1081 C ASP A 70 8.663 16.948 -7.123 1.00 0.00 C ATOM 1082 O ASP A 70 8.460 17.412 -8.245 1.00 0.00 O ATOM 1083 CB ASP A 70 11.061 17.603 -7.408 1.00 0.00 C ATOM 1084 CG ASP A 70 12.325 18.103 -6.735 1.00 0.00 C ATOM 1085 OD1 ASP A 70 12.215 18.733 -5.662 1.00 0.00 O ATOM 1086 OD2 ASP A 70 13.422 17.865 -7.281 1.00 0.00 O ATOM 0 H ASP A 70 10.715 15.244 -6.234 1.00 0.00 H new ATOM 0 HA ASP A 70 9.838 18.017 -5.691 1.00 0.00 H new ATOM 0 HB2 ASP A 70 11.302 16.747 -8.038 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.670 18.381 -8.064 1.00 0.00 H new ATOM 1091 N SER A 71 7.771 16.209 -6.473 1.00 0.00 N ATOM 1092 CA SER A 71 6.473 15.889 -7.055 1.00 0.00 C ATOM 1093 C SER A 71 5.420 16.907 -6.627 1.00 0.00 C ATOM 1094 O SER A 71 5.718 17.859 -5.906 1.00 0.00 O ATOM 1095 CB SER A 71 6.036 14.483 -6.641 1.00 0.00 C ATOM 1096 OG SER A 71 5.293 14.513 -5.435 1.00 0.00 O ATOM 0 H SER A 71 7.923 15.820 -5.542 1.00 0.00 H new ATOM 0 HA SER A 71 6.571 15.926 -8.140 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.432 14.039 -7.432 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.913 13.849 -6.515 1.00 0.00 H new ATOM 0 HG SER A 71 4.343 14.638 -5.639 1.00 0.00 H new ATOM 1102 N SER A 72 4.187 16.698 -7.077 1.00 0.00 N ATOM 1103 CA SER A 72 3.089 17.599 -6.745 1.00 0.00 C ATOM 1104 C SER A 72 1.914 16.828 -6.151 1.00 0.00 C ATOM 1105 O SER A 72 1.773 15.619 -6.339 1.00 0.00 O ATOM 1106 CB SER A 72 2.635 18.364 -7.990 1.00 0.00 C ATOM 1107 OG SER A 72 3.438 19.511 -8.205 1.00 0.00 O ATOM 0 H SER A 72 3.923 15.913 -7.672 1.00 0.00 H new ATOM 0 HA SER A 72 3.447 18.310 -6.001 1.00 0.00 H new ATOM 0 HB2 SER A 72 2.688 17.711 -8.861 1.00 0.00 H new ATOM 0 HB3 SER A 72 1.593 18.662 -7.878 1.00 0.00 H new ATOM 0 HG SER A 72 3.129 19.981 -9.007 1.00 0.00 H new ATOM 1113 N PRO A 73 1.050 17.543 -5.416 1.00 0.00 N ATOM 1114 CA PRO A 73 -0.128 16.947 -4.779 1.00 0.00 C ATOM 1115 C PRO A 73 -1.187 16.529 -5.794 1.00 0.00 C ATOM 1116 O PRO A 73 -1.671 15.397 -5.769 1.00 0.00 O ATOM 1117 CB PRO A 73 -0.658 18.074 -3.888 1.00 0.00 C ATOM 1118 CG PRO A 73 -0.173 19.326 -4.534 1.00 0.00 C ATOM 1119 CD PRO A 73 1.156 18.987 -5.149 1.00 0.00 C ATOM 0 HA PRO A 73 0.120 16.036 -4.235 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.746 18.054 -3.830 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.282 17.983 -2.869 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.876 19.672 -5.291 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.071 20.128 -3.803 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.331 19.553 -6.064 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.981 19.211 -4.472 1.00 0.00 H new ATOM 1127 N SER A 74 -1.541 17.449 -6.685 1.00 0.00 N ATOM 1128 CA SER A 74 -2.545 17.176 -7.707 1.00 0.00 C ATOM 1129 C SER A 74 -2.072 16.076 -8.653 1.00 0.00 C ATOM 1130 O SER A 74 -2.875 15.293 -9.161 1.00 0.00 O ATOM 1131 CB SER A 74 -2.856 18.447 -8.500 1.00 0.00 C ATOM 1132 OG SER A 74 -2.754 19.597 -7.679 1.00 0.00 O ATOM 0 H SER A 74 -1.148 18.390 -6.720 1.00 0.00 H new ATOM 0 HA SER A 74 -3.453 16.837 -7.208 1.00 0.00 H new ATOM 0 HB2 SER A 74 -2.167 18.533 -9.340 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.861 18.382 -8.918 1.00 0.00 H new ATOM 0 HG SER A 74 -2.956 20.396 -8.209 1.00 0.00 H new ATOM 1138 N GLN A 75 -0.765 16.024 -8.884 1.00 0.00 N ATOM 1139 CA GLN A 75 -0.184 15.021 -9.769 1.00 0.00 C ATOM 1140 C GLN A 75 -0.181 13.647 -9.106 1.00 0.00 C ATOM 1141 O GLN A 75 -0.103 12.622 -9.782 1.00 0.00 O ATOM 1142 CB GLN A 75 1.241 15.417 -10.158 1.00 0.00 C ATOM 1143 CG GLN A 75 1.316 16.699 -10.971 1.00 0.00 C ATOM 1144 CD GLN A 75 1.165 16.455 -12.459 1.00 0.00 C ATOM 1145 OE1 GLN A 75 1.418 15.354 -12.949 1.00 0.00 O ATOM 1146 NE2 GLN A 75 0.750 17.485 -13.189 1.00 0.00 N ATOM 0 H GLN A 75 -0.088 16.665 -8.471 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.796 14.968 -10.669 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.836 15.536 -9.253 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.691 14.606 -10.731 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.535 17.383 -10.638 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.271 17.189 -10.782 1.00 0.00 H new ATOM 0 HE21 GLN A 75 0.552 18.380 -12.742 1.00 0.00 H new ATOM 0 HE22 GLN A 75 0.630 17.381 -14.196 1.00 0.00 H new ATOM 1155 N ALA A 76 -0.265 13.635 -7.780 1.00 0.00 N ATOM 1156 CA ALA A 76 -0.273 12.388 -7.027 1.00 0.00 C ATOM 1157 C ALA A 76 -1.677 11.797 -6.957 1.00 0.00 C ATOM 1158 O ALA A 76 -1.845 10.586 -6.822 1.00 0.00 O ATOM 1159 CB ALA A 76 0.277 12.613 -5.626 1.00 0.00 C ATOM 0 H ALA A 76 -0.328 14.475 -7.205 1.00 0.00 H new ATOM 0 HA ALA A 76 0.367 11.675 -7.547 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.265 11.673 -5.075 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.301 12.982 -5.692 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.340 13.346 -5.106 1.00 0.00 H new ATOM 1165 N MET A 77 -2.683 12.661 -7.050 1.00 0.00 N ATOM 1166 CA MET A 77 -4.073 12.224 -6.998 1.00 0.00 C ATOM 1167 C MET A 77 -4.490 11.581 -8.317 1.00 0.00 C ATOM 1168 O MET A 77 -5.282 10.639 -8.335 1.00 0.00 O ATOM 1169 CB MET A 77 -4.990 13.407 -6.681 1.00 0.00 C ATOM 1170 CG MET A 77 -4.696 14.063 -5.342 1.00 0.00 C ATOM 1171 SD MET A 77 -6.060 15.085 -4.754 1.00 0.00 S ATOM 1172 CE MET A 77 -5.172 16.516 -4.145 1.00 0.00 C ATOM 0 H MET A 77 -2.561 13.668 -7.162 1.00 0.00 H new ATOM 0 HA MET A 77 -4.165 11.480 -6.207 1.00 0.00 H new ATOM 0 HB2 MET A 77 -4.893 14.152 -7.470 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.025 13.066 -6.690 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.481 13.291 -4.603 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.800 14.677 -5.432 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.881 17.242 -3.747 1.00 0.00 H new ATOM 0 HE2 MET A 77 -4.485 16.209 -3.356 1.00 0.00 H new ATOM 0 HE3 MET A 77 -4.608 16.969 -4.961 1.00 0.00 H new ATOM 1182 N GLN A 78 -3.952 12.096 -9.418 1.00 0.00 N ATOM 1183 CA GLN A 78 -4.271 11.572 -10.741 1.00 0.00 C ATOM 1184 C GLN A 78 -3.952 10.083 -10.827 1.00 0.00 C ATOM 1185 O GLN A 78 -4.830 9.266 -11.102 1.00 0.00 O ATOM 1186 CB GLN A 78 -3.494 12.335 -11.815 1.00 0.00 C ATOM 1187 CG GLN A 78 -3.910 13.791 -11.948 1.00 0.00 C ATOM 1188 CD GLN A 78 -3.679 14.339 -13.342 1.00 0.00 C ATOM 1189 OE1 GLN A 78 -2.539 14.485 -13.784 1.00 0.00 O ATOM 1190 NE2 GLN A 78 -4.763 14.646 -14.045 1.00 0.00 N ATOM 0 H GLN A 78 -3.294 12.875 -9.420 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.339 11.707 -10.911 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.430 12.290 -11.583 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.633 11.837 -12.775 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.966 13.888 -11.694 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.353 14.391 -11.229 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.689 14.509 -13.640 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.669 15.019 -14.990 1.00 0.00 H new ATOM 1199 N GLU A 79 -2.690 9.738 -10.590 1.00 0.00 N ATOM 1200 CA GLU A 79 -2.257 8.347 -10.643 1.00 0.00 C ATOM 1201 C GLU A 79 -2.885 7.538 -9.512 1.00 0.00 C ATOM 1202 O GLU A 79 -3.173 6.351 -9.669 1.00 0.00 O ATOM 1203 CB GLU A 79 -0.731 8.261 -10.560 1.00 0.00 C ATOM 1204 CG GLU A 79 -0.018 9.019 -11.667 1.00 0.00 C ATOM 1205 CD GLU A 79 1.324 8.408 -12.020 1.00 0.00 C ATOM 1206 OE1 GLU A 79 1.350 7.469 -12.844 1.00 0.00 O ATOM 1207 OE2 GLU A 79 2.349 8.868 -11.474 1.00 0.00 O ATOM 0 H GLU A 79 -1.951 10.402 -10.360 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.586 7.927 -11.593 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.405 8.651 -9.596 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.432 7.214 -10.597 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.650 9.037 -12.555 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.128 10.054 -11.358 1.00 0.00 H new ATOM 1214 N TYR A 80 -3.094 8.188 -8.373 1.00 0.00 N ATOM 1215 CA TYR A 80 -3.685 7.530 -7.214 1.00 0.00 C ATOM 1216 C TYR A 80 -5.107 7.066 -7.517 1.00 0.00 C ATOM 1217 O TYR A 80 -5.575 6.067 -6.971 1.00 0.00 O ATOM 1218 CB TYR A 80 -3.691 8.476 -6.012 1.00 0.00 C ATOM 1219 CG TYR A 80 -4.340 7.885 -4.780 1.00 0.00 C ATOM 1220 CD1 TYR A 80 -5.712 7.671 -4.729 1.00 0.00 C ATOM 1221 CD2 TYR A 80 -3.581 7.543 -3.667 1.00 0.00 C ATOM 1222 CE1 TYR A 80 -6.309 7.133 -3.606 1.00 0.00 C ATOM 1223 CE2 TYR A 80 -4.170 7.003 -2.541 1.00 0.00 C ATOM 1224 CZ TYR A 80 -5.534 6.800 -2.515 1.00 0.00 C ATOM 1225 OH TYR A 80 -6.124 6.263 -1.393 1.00 0.00 O ATOM 0 H TYR A 80 -2.863 9.171 -8.227 1.00 0.00 H new ATOM 0 HA TYR A 80 -3.079 6.655 -6.977 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.664 8.754 -5.774 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -4.214 9.393 -6.284 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -6.322 7.930 -5.582 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -2.513 7.702 -3.683 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -7.377 6.974 -3.582 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -3.566 6.741 -1.685 1.00 0.00 H new ATOM 0 HH TYR A 80 -5.438 6.084 -0.716 1.00 0.00 H new ATOM 1235 N ILE A 81 -5.787 7.799 -8.392 1.00 0.00 N ATOM 1236 CA ILE A 81 -7.154 7.463 -8.770 1.00 0.00 C ATOM 1237 C ILE A 81 -7.176 6.475 -9.930 1.00 0.00 C ATOM 1238 O ILE A 81 -7.636 5.342 -9.786 1.00 0.00 O ATOM 1239 CB ILE A 81 -7.954 8.719 -9.164 1.00 0.00 C ATOM 1240 CG1 ILE A 81 -8.531 9.395 -7.919 1.00 0.00 C ATOM 1241 CG2 ILE A 81 -9.064 8.355 -10.138 1.00 0.00 C ATOM 1242 CD1 ILE A 81 -8.698 10.891 -8.065 1.00 0.00 C ATOM 0 H ILE A 81 -5.414 8.629 -8.852 1.00 0.00 H new ATOM 0 HA ILE A 81 -7.619 7.005 -7.897 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.281 9.421 -9.656 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -9.500 8.950 -7.690 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -7.878 9.192 -7.070 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.621 9.253 -10.407 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.630 7.914 -11.036 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.738 7.637 -9.670 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -9.112 11.303 -7.144 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -7.728 11.348 -8.263 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -9.375 11.102 -8.893 1.00 0.00 H new ATOM 1254 N ALA A 82 -6.676 6.911 -11.082 1.00 0.00 N ATOM 1255 CA ALA A 82 -6.634 6.063 -12.267 1.00 0.00 C ATOM 1256 C ALA A 82 -6.430 4.600 -11.888 1.00 0.00 C ATOM 1257 O ALA A 82 -7.226 3.736 -12.257 1.00 0.00 O ATOM 1258 CB ALA A 82 -5.532 6.525 -13.208 1.00 0.00 C ATOM 0 H ALA A 82 -6.294 7.847 -11.220 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.593 6.148 -12.779 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.512 5.883 -14.088 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.722 7.554 -13.514 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.571 6.470 -12.697 1.00 0.00 H new ATOM 1264 N VAL A 83 -5.358 4.328 -11.150 1.00 0.00 N ATOM 1265 CA VAL A 83 -5.050 2.969 -10.722 1.00 0.00 C ATOM 1266 C VAL A 83 -6.295 2.262 -10.199 1.00 0.00 C ATOM 1267 O VAL A 83 -6.685 1.212 -10.710 1.00 0.00 O ATOM 1268 CB VAL A 83 -3.969 2.959 -9.625 1.00 0.00 C ATOM 1269 CG1 VAL A 83 -4.286 3.990 -8.552 1.00 0.00 C ATOM 1270 CG2 VAL A 83 -3.839 1.570 -9.019 1.00 0.00 C ATOM 0 H VAL A 83 -4.689 5.031 -10.836 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.675 2.438 -11.597 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.014 3.224 -10.078 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.511 3.968 -7.786 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.324 4.982 -9.001 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.250 3.759 -8.099 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.071 1.581 -8.246 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.792 1.274 -8.580 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.561 0.858 -9.796 1.00 0.00 H new ATOM 1280 N VAL A 84 -6.916 2.844 -9.179 1.00 0.00 N ATOM 1281 CA VAL A 84 -8.119 2.271 -8.587 1.00 0.00 C ATOM 1282 C VAL A 84 -9.145 1.921 -9.660 1.00 0.00 C ATOM 1283 O VAL A 84 -10.020 1.082 -9.447 1.00 0.00 O ATOM 1284 CB VAL A 84 -8.761 3.236 -7.574 1.00 0.00 C ATOM 1285 CG1 VAL A 84 -7.690 3.950 -6.764 1.00 0.00 C ATOM 1286 CG2 VAL A 84 -9.658 4.237 -8.286 1.00 0.00 C ATOM 0 H VAL A 84 -6.606 3.713 -8.745 1.00 0.00 H new ATOM 0 HA VAL A 84 -7.815 1.362 -8.068 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.377 2.656 -6.886 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -8.163 4.628 -6.053 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -7.093 3.216 -6.223 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -7.046 4.519 -7.434 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.103 4.911 -7.554 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.067 4.813 -8.998 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -10.447 3.705 -8.817 1.00 0.00 H new ATOM 1296 N LYS A 85 -9.031 2.568 -10.814 1.00 0.00 N ATOM 1297 CA LYS A 85 -9.946 2.325 -11.922 1.00 0.00 C ATOM 1298 C LYS A 85 -9.569 1.050 -12.670 1.00 0.00 C ATOM 1299 O LYS A 85 -10.436 0.262 -13.051 1.00 0.00 O ATOM 1300 CB LYS A 85 -9.941 3.514 -12.885 1.00 0.00 C ATOM 1301 CG LYS A 85 -10.037 4.861 -12.190 1.00 0.00 C ATOM 1302 CD LYS A 85 -10.022 6.007 -13.188 1.00 0.00 C ATOM 1303 CE LYS A 85 -11.423 6.341 -13.674 1.00 0.00 C ATOM 1304 NZ LYS A 85 -11.836 5.477 -14.814 1.00 0.00 N ATOM 0 H LYS A 85 -8.313 3.266 -11.007 1.00 0.00 H new ATOM 0 HA LYS A 85 -10.948 2.202 -11.512 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -9.028 3.486 -13.479 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -10.776 3.412 -13.579 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -10.953 4.903 -11.601 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.205 4.972 -11.494 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.577 6.888 -12.725 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.394 5.742 -14.039 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -12.130 6.221 -12.853 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -11.462 7.387 -13.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -12.279 6.062 -15.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -11.001 4.999 -15.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -12.517 4.765 -14.481 1.00 0.00 H new ATOM 1318 N LYS A 86 -8.272 0.852 -12.876 1.00 0.00 N ATOM 1319 CA LYS A 86 -7.779 -0.329 -13.575 1.00 0.00 C ATOM 1320 C LYS A 86 -8.151 -1.602 -12.822 1.00 0.00 C ATOM 1321 O LYS A 86 -8.318 -2.664 -13.422 1.00 0.00 O ATOM 1322 CB LYS A 86 -6.260 -0.249 -13.745 1.00 0.00 C ATOM 1323 CG LYS A 86 -5.819 0.739 -14.811 1.00 0.00 C ATOM 1324 CD LYS A 86 -5.479 2.093 -14.210 1.00 0.00 C ATOM 1325 CE LYS A 86 -5.801 3.226 -15.172 1.00 0.00 C ATOM 1326 NZ LYS A 86 -4.726 3.414 -16.187 1.00 0.00 N ATOM 0 H LYS A 86 -7.542 1.495 -12.569 1.00 0.00 H new ATOM 0 HA LYS A 86 -8.247 -0.360 -14.559 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.810 0.032 -12.793 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.878 -1.238 -13.998 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.949 0.344 -15.337 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.612 0.857 -15.550 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.036 2.231 -13.284 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.420 2.123 -13.953 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.744 3.017 -15.676 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.937 4.151 -14.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.983 4.195 -16.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.831 3.638 -15.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.613 2.540 -16.739 1.00 0.00 H new ATOM 1340 N LEU A 87 -8.280 -1.488 -11.505 1.00 0.00 N ATOM 1341 CA LEU A 87 -8.634 -2.630 -10.669 1.00 0.00 C ATOM 1342 C LEU A 87 -10.138 -2.879 -10.696 1.00 0.00 C ATOM 1343 O LEU A 87 -10.587 -4.024 -10.768 1.00 0.00 O ATOM 1344 CB LEU A 87 -8.170 -2.398 -9.230 1.00 0.00 C ATOM 1345 CG LEU A 87 -6.837 -1.667 -9.064 1.00 0.00 C ATOM 1346 CD1 LEU A 87 -6.731 -1.058 -7.675 1.00 0.00 C ATOM 1347 CD2 LEU A 87 -5.674 -2.613 -9.325 1.00 0.00 C ATOM 0 H LEU A 87 -8.145 -0.616 -10.993 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.131 -3.511 -11.069 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.940 -1.830 -8.708 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.095 -3.365 -8.733 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.794 -0.860 -9.795 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.776 -0.542 -7.576 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.544 -0.348 -7.526 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.797 -1.847 -6.926 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.733 -2.076 -9.202 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.713 -3.442 -8.618 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.741 -3.000 -10.342 1.00 0.00 H new ATOM 1359 N ASP A 88 -10.912 -1.801 -10.640 1.00 0.00 N ATOM 1360 CA ASP A 88 -12.367 -1.902 -10.661 1.00 0.00 C ATOM 1361 C ASP A 88 -12.964 -0.935 -11.679 1.00 0.00 C ATOM 1362 O ASP A 88 -13.220 0.233 -11.386 1.00 0.00 O ATOM 1363 CB ASP A 88 -12.940 -1.618 -9.272 1.00 0.00 C ATOM 1364 CG ASP A 88 -14.443 -1.804 -9.217 1.00 0.00 C ATOM 1365 OD1 ASP A 88 -14.898 -2.967 -9.211 1.00 0.00 O ATOM 1366 OD2 ASP A 88 -15.166 -0.786 -9.178 1.00 0.00 O ATOM 0 H ASP A 88 -10.556 -0.847 -10.580 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.632 -2.918 -10.953 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -12.468 -2.279 -8.545 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.692 -0.597 -8.982 1.00 0.00 H new ATOM 1371 N PRO A 89 -13.191 -1.431 -12.905 1.00 0.00 N ATOM 1372 CA PRO A 89 -13.759 -0.628 -13.991 1.00 0.00 C ATOM 1373 C PRO A 89 -15.226 -0.284 -13.752 1.00 0.00 C ATOM 1374 O PRO A 89 -15.822 0.490 -14.498 1.00 0.00 O ATOM 1375 CB PRO A 89 -13.615 -1.534 -15.216 1.00 0.00 C ATOM 1376 CG PRO A 89 -13.588 -2.917 -14.662 1.00 0.00 C ATOM 1377 CD PRO A 89 -12.910 -2.814 -13.324 1.00 0.00 C ATOM 0 HA PRO A 89 -13.255 0.333 -14.093 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -14.447 -1.400 -15.907 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -12.702 -1.311 -15.769 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -14.597 -3.316 -14.558 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -13.045 -3.592 -15.324 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -13.310 -3.538 -12.614 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -11.839 -3.001 -13.401 1.00 0.00 H new ATOM 1385 N GLY A 90 -15.802 -0.867 -12.704 1.00 0.00 N ATOM 1386 CA GLY A 90 -17.194 -0.609 -12.385 1.00 0.00 C ATOM 1387 C GLY A 90 -17.356 0.401 -11.267 1.00 0.00 C ATOM 1388 O GLY A 90 -18.264 0.285 -10.444 1.00 0.00 O ATOM 0 H GLY A 90 -15.330 -1.513 -12.071 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -17.706 -0.245 -13.276 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -17.677 -1.543 -12.099 1.00 0.00 H new ATOM 1392 N TRP A 91 -16.473 1.392 -11.235 1.00 0.00 N ATOM 1393 CA TRP A 91 -16.520 2.426 -10.208 1.00 0.00 C ATOM 1394 C TRP A 91 -17.049 3.737 -10.779 1.00 0.00 C ATOM 1395 O TRP A 91 -16.435 4.331 -11.664 1.00 0.00 O ATOM 1396 CB TRP A 91 -15.131 2.641 -9.606 1.00 0.00 C ATOM 1397 CG TRP A 91 -15.032 3.879 -8.767 1.00 0.00 C ATOM 1398 CD1 TRP A 91 -15.917 4.296 -7.815 1.00 0.00 C ATOM 1399 CD2 TRP A 91 -13.989 4.859 -8.806 1.00 0.00 C ATOM 1400 NE1 TRP A 91 -15.488 5.478 -7.260 1.00 0.00 N ATOM 1401 CE2 TRP A 91 -14.308 5.844 -7.850 1.00 0.00 C ATOM 1402 CE3 TRP A 91 -12.818 5.001 -9.554 1.00 0.00 C ATOM 1403 CZ2 TRP A 91 -13.496 6.953 -7.625 1.00 0.00 C ATOM 1404 CZ3 TRP A 91 -12.014 6.102 -9.330 1.00 0.00 C ATOM 1405 CH2 TRP A 91 -12.355 7.066 -8.372 1.00 0.00 C ATOM 0 H TRP A 91 -15.715 1.502 -11.909 1.00 0.00 H new ATOM 0 HA TRP A 91 -17.200 2.093 -9.424 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -14.869 1.776 -8.997 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -14.399 2.697 -10.411 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -16.821 3.774 -7.539 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -15.971 5.998 -6.527 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -12.546 4.263 -10.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -13.758 7.697 -6.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -11.107 6.222 -9.903 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -11.705 7.915 -8.220 1.00 0.00 H new ATOM 1416 N ASN A 92 -18.191 4.183 -10.266 1.00 0.00 N ATOM 1417 CA ASN A 92 -18.802 5.425 -10.726 1.00 0.00 C ATOM 1418 C ASN A 92 -18.923 6.428 -9.583 1.00 0.00 C ATOM 1419 O ASN A 92 -19.962 6.542 -8.932 1.00 0.00 O ATOM 1420 CB ASN A 92 -20.182 5.147 -11.325 1.00 0.00 C ATOM 1421 CG ASN A 92 -20.239 3.820 -12.057 1.00 0.00 C ATOM 1422 OD1 ASN A 92 -19.795 3.710 -13.199 1.00 0.00 O ATOM 1423 ND2 ASN A 92 -20.788 2.805 -11.399 1.00 0.00 N ATOM 0 H ASN A 92 -18.712 3.703 -9.532 1.00 0.00 H new ATOM 0 HA ASN A 92 -18.160 5.854 -11.495 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -20.928 5.152 -10.530 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -20.444 5.950 -12.014 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -20.854 1.888 -11.840 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -21.143 2.943 -10.453 1.00 0.00 H new ATOM 1430 N PRO A 93 -17.837 7.174 -9.332 1.00 0.00 N ATOM 1431 CA PRO A 93 -17.797 8.181 -8.268 1.00 0.00 C ATOM 1432 C PRO A 93 -18.674 9.389 -8.580 1.00 0.00 C ATOM 1433 O PRO A 93 -19.140 10.079 -7.673 1.00 0.00 O ATOM 1434 CB PRO A 93 -16.322 8.589 -8.221 1.00 0.00 C ATOM 1435 CG PRO A 93 -15.805 8.296 -9.587 1.00 0.00 C ATOM 1436 CD PRO A 93 -16.564 7.091 -10.068 1.00 0.00 C ATOM 0 HA PRO A 93 -18.176 7.791 -7.323 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -16.211 9.645 -7.974 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -15.779 8.025 -7.463 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.959 9.145 -10.253 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -14.733 8.099 -9.564 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -16.721 7.119 -11.146 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -16.031 6.166 -9.847 1.00 0.00 H new ATOM 1444 N GLN A 94 -18.895 9.637 -9.866 1.00 0.00 N ATOM 1445 CA GLN A 94 -19.717 10.762 -10.296 1.00 0.00 C ATOM 1446 C GLN A 94 -21.057 10.281 -10.843 1.00 0.00 C ATOM 1447 O GLN A 94 -21.115 9.631 -11.887 1.00 0.00 O ATOM 1448 CB GLN A 94 -18.983 11.580 -11.360 1.00 0.00 C ATOM 1449 CG GLN A 94 -18.024 12.609 -10.783 1.00 0.00 C ATOM 1450 CD GLN A 94 -17.214 13.315 -11.852 1.00 0.00 C ATOM 1451 OE1 GLN A 94 -15.989 13.194 -11.900 1.00 0.00 O ATOM 1452 NE2 GLN A 94 -17.894 14.059 -12.716 1.00 0.00 N ATOM 0 H GLN A 94 -18.517 9.075 -10.628 1.00 0.00 H new ATOM 0 HA GLN A 94 -19.906 11.393 -9.428 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -18.428 10.902 -12.009 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -19.717 12.090 -11.985 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -18.589 13.347 -10.213 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -17.347 12.117 -10.085 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -18.909 14.131 -12.639 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -17.402 14.559 -13.457 1.00 0.00 H new ATOM 1461 N ILE A 95 -22.131 10.603 -10.130 1.00 0.00 N ATOM 1462 CA ILE A 95 -23.470 10.203 -10.545 1.00 0.00 C ATOM 1463 C ILE A 95 -24.397 11.410 -10.647 1.00 0.00 C ATOM 1464 O ILE A 95 -24.559 12.181 -9.701 1.00 0.00 O ATOM 1465 CB ILE A 95 -24.081 9.182 -9.567 1.00 0.00 C ATOM 1466 CG1 ILE A 95 -23.313 7.860 -9.630 1.00 0.00 C ATOM 1467 CG2 ILE A 95 -25.553 8.961 -9.883 1.00 0.00 C ATOM 1468 CD1 ILE A 95 -23.449 7.145 -10.956 1.00 0.00 C ATOM 0 H ILE A 95 -22.100 11.139 -9.263 1.00 0.00 H new ATOM 0 HA ILE A 95 -23.371 9.739 -11.527 1.00 0.00 H new ATOM 0 HB ILE A 95 -24.002 9.579 -8.555 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -22.258 8.053 -9.437 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -23.668 7.205 -8.835 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -25.971 8.237 -9.183 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -26.090 9.905 -9.792 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -25.654 8.582 -10.900 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -22.879 6.216 -10.929 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -24.499 6.921 -11.142 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -23.067 7.782 -11.754 1.00 0.00 H new ATOM 1480 N PRO A 96 -25.023 11.578 -11.822 1.00 0.00 N ATOM 1481 CA PRO A 96 -25.947 12.687 -12.075 1.00 0.00 C ATOM 1482 C PRO A 96 -27.247 12.549 -11.291 1.00 0.00 C ATOM 1483 O PRO A 96 -27.677 13.484 -10.616 1.00 0.00 O ATOM 1484 CB PRO A 96 -26.216 12.588 -13.579 1.00 0.00 C ATOM 1485 CG PRO A 96 -25.973 11.157 -13.914 1.00 0.00 C ATOM 1486 CD PRO A 96 -24.877 10.697 -12.993 1.00 0.00 C ATOM 0 HA PRO A 96 -25.529 13.645 -11.765 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -27.238 12.883 -13.819 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -25.554 13.245 -14.144 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -26.877 10.564 -13.772 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -25.679 11.045 -14.958 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -24.993 9.647 -12.723 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -23.895 10.801 -13.454 1.00 0.00 H new ATOM 1494 N GLU A 97 -27.868 11.378 -11.384 1.00 0.00 N ATOM 1495 CA GLU A 97 -29.120 11.119 -10.683 1.00 0.00 C ATOM 1496 C GLU A 97 -29.058 11.640 -9.249 1.00 0.00 C ATOM 1497 O GLU A 97 -27.981 11.752 -8.663 1.00 0.00 O ATOM 1498 CB GLU A 97 -29.429 9.621 -10.680 1.00 0.00 C ATOM 1499 CG GLU A 97 -30.907 9.304 -10.531 1.00 0.00 C ATOM 1500 CD GLU A 97 -31.707 9.659 -11.769 1.00 0.00 C ATOM 1501 OE1 GLU A 97 -31.302 9.244 -12.875 1.00 0.00 O ATOM 1502 OE2 GLU A 97 -32.737 10.351 -11.633 1.00 0.00 O ATOM 0 H GLU A 97 -27.525 10.593 -11.938 1.00 0.00 H new ATOM 0 HA GLU A 97 -29.917 11.645 -11.209 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -29.064 9.182 -11.608 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -28.881 9.147 -9.866 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -31.027 8.242 -10.317 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -31.307 9.849 -9.676 1.00 0.00 H new ATOM 1509 N LYS A 98 -30.221 11.957 -8.691 1.00 0.00 N ATOM 1510 CA LYS A 98 -30.302 12.466 -7.327 1.00 0.00 C ATOM 1511 C LYS A 98 -30.254 11.323 -6.317 1.00 0.00 C ATOM 1512 O LYS A 98 -30.320 11.547 -5.108 1.00 0.00 O ATOM 1513 CB LYS A 98 -31.587 13.274 -7.137 1.00 0.00 C ATOM 1514 CG LYS A 98 -31.498 14.306 -6.026 1.00 0.00 C ATOM 1515 CD LYS A 98 -32.753 15.160 -5.957 1.00 0.00 C ATOM 1516 CE LYS A 98 -32.770 16.216 -7.051 1.00 0.00 C ATOM 1517 NZ LYS A 98 -31.800 17.313 -6.779 1.00 0.00 N ATOM 0 H LYS A 98 -31.121 11.870 -9.163 1.00 0.00 H new ATOM 0 HA LYS A 98 -29.444 13.116 -7.157 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -31.830 13.779 -8.072 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -32.408 12.590 -6.921 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -31.347 13.802 -5.071 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -30.630 14.945 -6.190 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -33.633 14.524 -6.051 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -32.812 15.644 -4.982 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -32.533 15.751 -8.008 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -33.774 16.632 -7.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -31.981 18.105 -7.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -31.910 17.638 -5.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -30.831 16.963 -6.921 1.00 0.00 H new ATOM 1531 N LYS A 99 -30.136 10.100 -6.820 1.00 0.00 N ATOM 1532 CA LYS A 99 -30.075 8.922 -5.963 1.00 0.00 C ATOM 1533 C LYS A 99 -29.841 7.660 -6.787 1.00 0.00 C ATOM 1534 O LYS A 99 -30.002 7.665 -8.006 1.00 0.00 O ATOM 1535 CB LYS A 99 -31.370 8.784 -5.158 1.00 0.00 C ATOM 1536 CG LYS A 99 -32.627 8.937 -5.997 1.00 0.00 C ATOM 1537 CD LYS A 99 -33.129 7.593 -6.498 1.00 0.00 C ATOM 1538 CE LYS A 99 -34.402 7.744 -7.317 1.00 0.00 C ATOM 1539 NZ LYS A 99 -34.151 8.435 -8.612 1.00 0.00 N ATOM 0 H LYS A 99 -30.081 9.898 -7.818 1.00 0.00 H new ATOM 0 HA LYS A 99 -29.238 9.047 -5.276 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -31.384 7.808 -4.673 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -31.378 9.534 -4.367 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -33.405 9.419 -5.405 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -32.422 9.589 -6.846 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -32.358 7.119 -7.106 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -33.317 6.934 -5.650 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -34.830 6.760 -7.508 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -35.139 8.306 -6.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -35.015 8.413 -9.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -33.880 9.423 -8.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -33.382 7.952 -9.120 1.00 0.00 H new ATOM 1553 N GLY A 100 -29.459 6.580 -6.112 1.00 0.00 N ATOM 1554 CA GLY A 100 -29.210 5.326 -6.798 1.00 0.00 C ATOM 1555 C GLY A 100 -29.569 4.120 -5.952 1.00 0.00 C ATOM 1556 O GLY A 100 -28.851 3.120 -5.946 1.00 0.00 O ATOM 0 H GLY A 100 -29.318 6.551 -5.102 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -29.786 5.301 -7.723 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -28.158 5.270 -7.076 1.00 0.00 H new ATOM 1560 N LYS A 101 -30.683 4.214 -5.234 1.00 0.00 N ATOM 1561 CA LYS A 101 -31.138 3.123 -4.380 1.00 0.00 C ATOM 1562 C LYS A 101 -32.622 2.845 -4.595 1.00 0.00 C ATOM 1563 O LYS A 101 -33.413 3.767 -4.787 1.00 0.00 O ATOM 1564 CB LYS A 101 -30.879 3.459 -2.909 1.00 0.00 C ATOM 1565 CG LYS A 101 -30.965 2.255 -1.987 1.00 0.00 C ATOM 1566 CD LYS A 101 -30.689 2.639 -0.542 1.00 0.00 C ATOM 1567 CE LYS A 101 -30.442 1.412 0.323 1.00 0.00 C ATOM 1568 NZ LYS A 101 -29.059 0.886 0.158 1.00 0.00 N ATOM 0 H LYS A 101 -31.288 5.035 -5.227 1.00 0.00 H new ATOM 0 HA LYS A 101 -30.577 2.227 -4.647 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -29.890 3.908 -2.816 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -31.601 4.208 -2.583 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -31.956 1.807 -2.063 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -30.248 1.499 -2.307 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -29.821 3.297 -0.499 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -31.535 3.201 -0.146 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -30.612 1.665 1.369 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -31.160 0.634 0.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -28.931 0.050 0.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -28.905 0.620 -0.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -28.374 1.619 0.430 1.00 0.00 H new ATOM 1582 N GLU A 102 -32.991 1.568 -4.561 1.00 0.00 N ATOM 1583 CA GLU A 102 -34.381 1.170 -4.752 1.00 0.00 C ATOM 1584 C GLU A 102 -35.139 1.190 -3.428 1.00 0.00 C ATOM 1585 O GLU A 102 -35.266 0.165 -2.759 1.00 0.00 O ATOM 1586 CB GLU A 102 -34.454 -0.226 -5.374 1.00 0.00 C ATOM 1587 CG GLU A 102 -34.268 -0.230 -6.882 1.00 0.00 C ATOM 1588 CD GLU A 102 -35.358 0.534 -7.607 1.00 0.00 C ATOM 1589 OE1 GLU A 102 -36.548 0.236 -7.374 1.00 0.00 O ATOM 1590 OE2 GLU A 102 -35.021 1.431 -8.408 1.00 0.00 O ATOM 0 H GLU A 102 -32.348 0.792 -4.403 1.00 0.00 H new ATOM 0 HA GLU A 102 -34.848 1.886 -5.429 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -33.690 -0.857 -4.920 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -35.419 -0.672 -5.134 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -33.300 0.207 -7.126 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -34.252 -1.260 -7.239 1.00 0.00 H new ATOM 1597 N ALA A 103 -35.640 2.363 -3.057 1.00 0.00 N ATOM 1598 CA ALA A 103 -36.387 2.517 -1.815 1.00 0.00 C ATOM 1599 C ALA A 103 -37.835 2.072 -1.986 1.00 0.00 C ATOM 1600 O ALA A 103 -38.692 2.857 -2.391 1.00 0.00 O ATOM 1601 CB ALA A 103 -36.329 3.961 -1.339 1.00 0.00 C ATOM 0 H ALA A 103 -35.542 3.221 -3.599 1.00 0.00 H new ATOM 0 HA ALA A 103 -35.925 1.879 -1.061 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -36.891 4.061 -0.411 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -35.291 4.246 -1.167 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -36.763 4.612 -2.098 1.00 0.00 H new ATOM 1607 N SER A 104 -38.102 0.807 -1.677 1.00 0.00 N ATOM 1608 CA SER A 104 -39.446 0.256 -1.801 1.00 0.00 C ATOM 1609 C SER A 104 -40.039 0.574 -3.171 1.00 0.00 C ATOM 1610 O SER A 104 -41.224 0.880 -3.291 1.00 0.00 O ATOM 1611 CB SER A 104 -40.351 0.810 -0.700 1.00 0.00 C ATOM 1612 OG SER A 104 -41.453 -0.049 -0.464 1.00 0.00 O ATOM 0 H SER A 104 -37.404 0.144 -1.339 1.00 0.00 H new ATOM 0 HA SER A 104 -39.379 -0.827 -1.695 1.00 0.00 H new ATOM 0 HB2 SER A 104 -39.778 0.932 0.219 1.00 0.00 H new ATOM 0 HB3 SER A 104 -40.711 1.799 -0.984 1.00 0.00 H new ATOM 0 HG SER A 104 -41.931 -0.206 -1.305 1.00 0.00 H new ATOM 1618 N GLY A 105 -39.203 0.500 -4.202 1.00 0.00 N ATOM 1619 CA GLY A 105 -39.661 0.783 -5.550 1.00 0.00 C ATOM 1620 C GLY A 105 -40.678 -0.229 -6.041 1.00 0.00 C ATOM 1621 O GLY A 105 -40.980 -1.214 -5.367 1.00 0.00 O ATOM 0 H GLY A 105 -38.217 0.249 -4.128 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -40.101 1.780 -5.579 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -38.806 0.792 -6.226 1.00 0.00 H new ATOM 1625 N PRO A 106 -41.226 0.012 -7.241 1.00 0.00 N ATOM 1626 CA PRO A 106 -42.224 -0.874 -7.848 1.00 0.00 C ATOM 1627 C PRO A 106 -41.627 -2.210 -8.279 1.00 0.00 C ATOM 1628 O PRO A 106 -40.464 -2.500 -7.999 1.00 0.00 O ATOM 1629 CB PRO A 106 -42.704 -0.084 -9.068 1.00 0.00 C ATOM 1630 CG PRO A 106 -41.567 0.818 -9.407 1.00 0.00 C ATOM 1631 CD PRO A 106 -40.912 1.167 -8.099 1.00 0.00 C ATOM 0 HA PRO A 106 -43.020 -1.131 -7.149 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -42.945 -0.747 -9.899 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -43.606 0.484 -8.842 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -40.863 0.324 -10.077 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -41.919 1.714 -9.919 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -39.836 1.303 -8.212 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -41.309 2.094 -7.686 1.00 0.00 H new ATOM 1639 N SER A 107 -42.431 -3.019 -8.961 1.00 0.00 N ATOM 1640 CA SER A 107 -41.984 -4.326 -9.428 1.00 0.00 C ATOM 1641 C SER A 107 -41.780 -4.322 -10.940 1.00 0.00 C ATOM 1642 O SER A 107 -40.757 -4.791 -11.440 1.00 0.00 O ATOM 1643 CB SER A 107 -42.998 -5.404 -9.041 1.00 0.00 C ATOM 1644 OG SER A 107 -42.710 -5.939 -7.761 1.00 0.00 O ATOM 0 H SER A 107 -43.396 -2.792 -9.203 1.00 0.00 H new ATOM 0 HA SER A 107 -41.029 -4.548 -8.951 1.00 0.00 H new ATOM 0 HB2 SER A 107 -44.002 -4.981 -9.044 1.00 0.00 H new ATOM 0 HB3 SER A 107 -42.986 -6.202 -9.783 1.00 0.00 H new ATOM 0 HG SER A 107 -43.373 -6.624 -7.536 1.00 0.00 H new ATOM 1650 N SER A 108 -42.760 -3.790 -11.662 1.00 0.00 N ATOM 1651 CA SER A 108 -42.692 -3.728 -13.117 1.00 0.00 C ATOM 1652 C SER A 108 -41.489 -2.905 -13.570 1.00 0.00 C ATOM 1653 O SER A 108 -41.100 -1.940 -12.913 1.00 0.00 O ATOM 1654 CB SER A 108 -43.978 -3.126 -13.684 1.00 0.00 C ATOM 1655 OG SER A 108 -45.121 -3.798 -13.182 1.00 0.00 O ATOM 0 H SER A 108 -43.612 -3.395 -11.263 1.00 0.00 H new ATOM 0 HA SER A 108 -42.578 -4.744 -13.494 1.00 0.00 H new ATOM 0 HB2 SER A 108 -44.032 -2.068 -13.427 1.00 0.00 H new ATOM 0 HB3 SER A 108 -43.964 -3.189 -14.772 1.00 0.00 H new ATOM 0 HG SER A 108 -45.930 -3.393 -13.558 1.00 0.00 H new ATOM 1661 N GLY A 109 -40.903 -3.296 -14.698 1.00 0.00 N ATOM 1662 CA GLY A 109 -39.751 -2.585 -15.220 1.00 0.00 C ATOM 1663 C GLY A 109 -38.701 -3.520 -15.786 1.00 0.00 C ATOM 1664 O GLY A 109 -37.750 -3.888 -15.096 1.00 0.00 O ATOM 0 H GLY A 109 -41.206 -4.092 -15.259 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -40.076 -1.895 -15.998 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -39.308 -1.984 -14.426 1.00 0.00 H new TER 1668 GLY A 109