USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 894 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 29 SER OG : rot -43:sc= 1.82 USER MOD Set 1.2: A 66 SER OG : rot -144:sc= 1.19 USER MOD Set 2.1: A 31 THR OG1 : rot 180:sc= 0.0165 USER MOD Set 2.2: A 34 ASN : amide:sc= 0 X(o=0.016,f=0.046) USER MOD Set 3.1: A 16 THR OG1 : rot 124:sc= 0.696 USER MOD Set 3.2: A 18 THR OG1 : rot 180:sc= 0.944 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 4 HIS : no HD1:sc= -0.926 K(o=-0.93,f=-2.8) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.178 K(o=-0.18,f=-1.5) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 11 GLN : amide:sc= -0.18 K(o=-0.18,f=-3.9!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -163:sc=-0.00169 (180deg=-0.126) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.00353 USER MOD Single : A 23 THR OG1 : rot -88:sc= 0.797 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 168:sc= -1.06 (180deg=-1.4) USER MOD Single : A 37 SER OG : rot 170:sc= -0.533 USER MOD Single : A 38 LYS NZ :NH3+ -142:sc= -0.0374 (180deg=-0.336) USER MOD Single : A 40 GLN : amide:sc= -0.461 X(o=-0.46,f=0) USER MOD Single : A 42 LYS NZ :NH3+ -133:sc= 0.358 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.371 X(o=-0.37,f=-0.77) USER MOD Single : A 50 GLN : amide:sc= -7.59! C(o=-7.6!,f=-7.7!) USER MOD Single : A 57 LYS NZ :NH3+ -166:sc=-0.00657 (180deg=-0.182) USER MOD Single : A 58 GLN : amide:sc= -0.508 K(o=-0.51,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.343 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= -2.14 K(o=-2.1,f=-0.6) USER MOD Single : A 74 SER OG : rot -110:sc= 0.476 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HE2:sc=-0.00737 K(o=-0.0074,f=-0.6) USER MOD Single : A 86 SER OG : rot 57:sc= 0.301 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -165:sc= -1.96 (180deg=-2.04) USER MOD Single : A 104 SER OG : rot -36:sc= 0.211 USER MOD Single : A 106 LYS NZ :NH3+ 167:sc=-0.000585 (180deg=-0.0281) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 104.851 -21.736 10.589 1.00 0.00 N ATOM 2 CA MET A 1 105.822 -20.780 9.984 1.00 0.00 C ATOM 3 C MET A 1 106.430 -19.912 11.082 1.00 0.00 C ATOM 4 O MET A 1 105.712 -19.339 11.902 1.00 0.00 O ATOM 5 CB MET A 1 105.099 -19.900 8.960 1.00 0.00 C ATOM 6 CG MET A 1 104.982 -20.649 7.630 1.00 0.00 C ATOM 7 SD MET A 1 104.016 -19.658 6.463 1.00 0.00 S ATOM 8 CE MET A 1 105.389 -18.687 5.792 1.00 0.00 C ATOM 0 H1 MET A 1 104.436 -22.328 9.842 1.00 0.00 H new ATOM 0 H2 MET A 1 105.343 -22.341 11.277 1.00 0.00 H new ATOM 0 H3 MET A 1 104.096 -21.206 11.070 1.00 0.00 H new ATOM 0 HA MET A 1 106.618 -21.331 9.483 1.00 0.00 H new ATOM 0 HB2 MET A 1 104.108 -19.636 9.328 1.00 0.00 H new ATOM 0 HB3 MET A 1 105.645 -18.968 8.817 1.00 0.00 H new ATOM 0 HG2 MET A 1 105.974 -20.846 7.223 1.00 0.00 H new ATOM 0 HG3 MET A 1 104.504 -21.616 7.786 1.00 0.00 H new ATOM 0 HE1 MET A 1 105.012 -17.996 5.038 1.00 0.00 H new ATOM 0 HE2 MET A 1 105.863 -18.124 6.596 1.00 0.00 H new ATOM 0 HE3 MET A 1 106.120 -19.356 5.337 1.00 0.00 H new ATOM 20 N HIS A 2 107.758 -19.821 11.088 1.00 0.00 N ATOM 21 CA HIS A 2 108.460 -19.018 12.086 1.00 0.00 C ATOM 22 C HIS A 2 108.222 -17.531 11.844 1.00 0.00 C ATOM 23 O HIS A 2 107.768 -17.133 10.770 1.00 0.00 O ATOM 24 CB HIS A 2 109.962 -19.311 12.032 1.00 0.00 C ATOM 25 CG HIS A 2 110.220 -20.709 12.526 1.00 0.00 C ATOM 26 ND1 HIS A 2 110.668 -20.967 13.812 1.00 0.00 N ATOM 27 CD2 HIS A 2 110.096 -21.934 11.920 1.00 0.00 C ATOM 28 CE1 HIS A 2 110.796 -22.300 13.936 1.00 0.00 C ATOM 29 NE2 HIS A 2 110.460 -22.937 12.812 1.00 0.00 N ATOM 0 H HIS A 2 108.366 -20.290 10.417 1.00 0.00 H new ATOM 0 HA HIS A 2 108.074 -19.281 13.071 1.00 0.00 H new ATOM 0 HB2 HIS A 2 110.328 -19.202 11.011 1.00 0.00 H new ATOM 0 HB3 HIS A 2 110.506 -18.592 12.644 1.00 0.00 H new ATOM 0 HD2 HIS A 2 109.766 -22.095 10.904 1.00 0.00 H new ATOM 0 HE1 HIS A 2 111.130 -22.795 14.836 1.00 0.00 H new ATOM 0 HE2 HIS A 2 110.468 -23.943 12.644 1.00 0.00 H new ATOM 37 N HIS A 3 108.530 -16.715 12.849 1.00 0.00 N ATOM 38 CA HIS A 3 108.346 -15.271 12.737 1.00 0.00 C ATOM 39 C HIS A 3 109.450 -14.530 13.485 1.00 0.00 C ATOM 40 O HIS A 3 110.043 -15.062 14.424 1.00 0.00 O ATOM 41 CB HIS A 3 106.980 -14.873 13.305 1.00 0.00 C ATOM 42 CG HIS A 3 106.228 -14.062 12.284 1.00 0.00 C ATOM 43 ND1 HIS A 3 106.665 -12.816 11.862 1.00 0.00 N ATOM 44 CD2 HIS A 3 105.068 -14.306 11.592 1.00 0.00 C ATOM 45 CE1 HIS A 3 105.782 -12.363 10.954 1.00 0.00 C ATOM 46 NE2 HIS A 3 104.788 -13.232 10.752 1.00 0.00 N ATOM 0 H HIS A 3 108.906 -17.027 13.745 1.00 0.00 H new ATOM 0 HA HIS A 3 108.393 -14.997 11.683 1.00 0.00 H new ATOM 0 HB2 HIS A 3 106.410 -15.764 13.568 1.00 0.00 H new ATOM 0 HB3 HIS A 3 107.109 -14.295 14.220 1.00 0.00 H new ATOM 0 HD2 HIS A 3 104.464 -15.196 11.685 1.00 0.00 H new ATOM 0 HE1 HIS A 3 105.867 -11.412 10.449 1.00 0.00 H new ATOM 0 HE2 HIS A 3 103.995 -13.130 10.119 1.00 0.00 H new ATOM 54 N HIS A 4 109.719 -13.299 13.057 1.00 0.00 N ATOM 55 CA HIS A 4 110.755 -12.484 13.683 1.00 0.00 C ATOM 56 C HIS A 4 110.643 -11.035 13.213 1.00 0.00 C ATOM 57 O HIS A 4 111.463 -10.561 12.424 1.00 0.00 O ATOM 58 CB HIS A 4 112.144 -13.039 13.339 1.00 0.00 C ATOM 59 CG HIS A 4 112.176 -13.474 11.896 1.00 0.00 C ATOM 60 ND1 HIS A 4 111.678 -14.699 11.484 1.00 0.00 N ATOM 61 CD2 HIS A 4 112.638 -12.857 10.760 1.00 0.00 C ATOM 62 CE1 HIS A 4 111.850 -14.781 10.152 1.00 0.00 C ATOM 63 NE2 HIS A 4 112.431 -13.684 9.661 1.00 0.00 N ATOM 0 H HIS A 4 109.235 -12.846 12.282 1.00 0.00 H new ATOM 0 HA HIS A 4 110.618 -12.516 14.764 1.00 0.00 H new ATOM 0 HB2 HIS A 4 112.904 -12.278 13.516 1.00 0.00 H new ATOM 0 HB3 HIS A 4 112.380 -13.882 13.988 1.00 0.00 H new ATOM 0 HD2 HIS A 4 113.093 -11.878 10.725 1.00 0.00 H new ATOM 0 HE1 HIS A 4 111.554 -15.630 9.554 1.00 0.00 H new ATOM 0 HE2 HIS A 4 112.672 -13.493 8.688 1.00 0.00 H new ATOM 71 N HIS A 5 109.614 -10.341 13.701 1.00 0.00 N ATOM 72 CA HIS A 5 109.383 -8.946 13.330 1.00 0.00 C ATOM 73 C HIS A 5 109.195 -8.810 11.820 1.00 0.00 C ATOM 74 O HIS A 5 109.288 -9.793 11.080 1.00 0.00 O ATOM 75 CB HIS A 5 110.558 -8.071 13.787 1.00 0.00 C ATOM 76 CG HIS A 5 110.425 -7.776 15.256 1.00 0.00 C ATOM 77 ND1 HIS A 5 109.628 -6.747 15.733 1.00 0.00 N ATOM 78 CD2 HIS A 5 110.979 -8.367 16.364 1.00 0.00 C ATOM 79 CE1 HIS A 5 109.724 -6.750 17.075 1.00 0.00 C ATOM 80 NE2 HIS A 5 110.535 -7.716 17.512 1.00 0.00 N ATOM 0 H HIS A 5 108.929 -10.722 14.353 1.00 0.00 H new ATOM 0 HA HIS A 5 108.473 -8.610 13.827 1.00 0.00 H new ATOM 0 HB2 HIS A 5 111.502 -8.581 13.592 1.00 0.00 H new ATOM 0 HB3 HIS A 5 110.575 -7.141 13.219 1.00 0.00 H new ATOM 0 HD2 HIS A 5 111.656 -9.208 16.348 1.00 0.00 H new ATOM 0 HE1 HIS A 5 109.207 -6.055 17.720 1.00 0.00 H new ATOM 0 HE2 HIS A 5 110.777 -7.931 18.479 1.00 0.00 H new ATOM 88 N HIS A 6 108.930 -7.587 11.369 1.00 0.00 N ATOM 89 CA HIS A 6 108.731 -7.330 9.946 1.00 0.00 C ATOM 90 C HIS A 6 108.737 -5.830 9.668 1.00 0.00 C ATOM 91 O HIS A 6 108.160 -5.046 10.424 1.00 0.00 O ATOM 92 CB HIS A 6 107.402 -7.933 9.481 1.00 0.00 C ATOM 93 CG HIS A 6 107.519 -8.354 8.041 1.00 0.00 C ATOM 94 ND1 HIS A 6 107.666 -7.437 7.012 1.00 0.00 N ATOM 95 CD2 HIS A 6 107.517 -9.590 7.443 1.00 0.00 C ATOM 96 CE1 HIS A 6 107.746 -8.128 5.861 1.00 0.00 C ATOM 97 NE2 HIS A 6 107.660 -9.445 6.067 1.00 0.00 N ATOM 0 H HIS A 6 108.848 -6.763 11.964 1.00 0.00 H new ATOM 0 HA HIS A 6 109.549 -7.795 9.396 1.00 0.00 H new ATOM 0 HB2 HIS A 6 107.142 -8.791 10.102 1.00 0.00 H new ATOM 0 HB3 HIS A 6 106.600 -7.203 9.594 1.00 0.00 H new ATOM 0 HD2 HIS A 6 107.419 -10.532 7.962 1.00 0.00 H new ATOM 0 HE1 HIS A 6 107.865 -7.673 4.889 1.00 0.00 H new ATOM 0 HE2 HIS A 6 107.692 -10.185 5.366 1.00 0.00 H new ATOM 105 N HIS A 7 109.392 -5.439 8.577 1.00 0.00 N ATOM 106 CA HIS A 7 109.471 -4.031 8.201 1.00 0.00 C ATOM 107 C HIS A 7 108.279 -3.646 7.326 1.00 0.00 C ATOM 108 O HIS A 7 108.437 -2.995 6.291 1.00 0.00 O ATOM 109 CB HIS A 7 110.781 -3.768 7.451 1.00 0.00 C ATOM 110 CG HIS A 7 111.189 -2.332 7.635 1.00 0.00 C ATOM 111 ND1 HIS A 7 110.975 -1.371 6.658 1.00 0.00 N ATOM 112 CD2 HIS A 7 111.797 -1.677 8.677 1.00 0.00 C ATOM 113 CE1 HIS A 7 111.447 -0.202 7.129 1.00 0.00 C ATOM 114 NE2 HIS A 7 111.959 -0.333 8.355 1.00 0.00 N ATOM 0 H HIS A 7 109.873 -6.075 7.941 1.00 0.00 H new ATOM 0 HA HIS A 7 109.448 -3.423 9.105 1.00 0.00 H new ATOM 0 HB2 HIS A 7 111.564 -4.429 7.823 1.00 0.00 H new ATOM 0 HB3 HIS A 7 110.655 -3.988 6.391 1.00 0.00 H new ATOM 0 HD2 HIS A 7 112.103 -2.135 9.606 1.00 0.00 H new ATOM 0 HE1 HIS A 7 111.415 0.729 6.582 1.00 0.00 H new ATOM 0 HE2 HIS A 7 112.379 0.396 8.932 1.00 0.00 H new ATOM 122 N GLY A 8 107.085 -4.055 7.750 1.00 0.00 N ATOM 123 CA GLY A 8 105.869 -3.752 7.001 1.00 0.00 C ATOM 124 C GLY A 8 105.710 -4.702 5.819 1.00 0.00 C ATOM 125 O GLY A 8 105.520 -5.906 6.001 1.00 0.00 O ATOM 0 H GLY A 8 106.934 -4.594 8.603 1.00 0.00 H new ATOM 0 HA2 GLY A 8 105.003 -3.833 7.657 1.00 0.00 H new ATOM 0 HA3 GLY A 8 105.903 -2.723 6.644 1.00 0.00 H new ATOM 129 N GLU A 9 105.790 -4.153 4.609 1.00 0.00 N ATOM 130 CA GLU A 9 105.655 -4.957 3.398 1.00 0.00 C ATOM 131 C GLU A 9 105.950 -4.107 2.162 1.00 0.00 C ATOM 132 O GLU A 9 107.111 -3.850 1.839 1.00 0.00 O ATOM 133 CB GLU A 9 104.239 -5.544 3.305 1.00 0.00 C ATOM 134 CG GLU A 9 103.214 -4.518 3.803 1.00 0.00 C ATOM 135 CD GLU A 9 101.851 -4.788 3.172 1.00 0.00 C ATOM 136 OE1 GLU A 9 101.320 -5.865 3.390 1.00 0.00 O ATOM 137 OE2 GLU A 9 101.356 -3.913 2.479 1.00 0.00 O ATOM 0 H GLU A 9 105.947 -3.159 4.442 1.00 0.00 H new ATOM 0 HA GLU A 9 106.374 -5.775 3.443 1.00 0.00 H new ATOM 0 HB2 GLU A 9 104.018 -5.821 2.274 1.00 0.00 H new ATOM 0 HB3 GLU A 9 104.174 -6.455 3.901 1.00 0.00 H new ATOM 0 HG2 GLU A 9 103.137 -4.568 4.889 1.00 0.00 H new ATOM 0 HG3 GLU A 9 103.546 -3.510 3.553 1.00 0.00 H new ATOM 144 N PHE A 10 104.893 -3.670 1.480 1.00 0.00 N ATOM 145 CA PHE A 10 105.051 -2.849 0.288 1.00 0.00 C ATOM 146 C PHE A 10 103.782 -2.053 0.002 1.00 0.00 C ATOM 147 O PHE A 10 102.721 -2.316 0.569 1.00 0.00 O ATOM 148 CB PHE A 10 105.393 -3.730 -0.920 1.00 0.00 C ATOM 149 CG PHE A 10 106.839 -3.526 -1.309 1.00 0.00 C ATOM 150 CD1 PHE A 10 107.224 -2.367 -1.993 1.00 0.00 C ATOM 151 CD2 PHE A 10 107.794 -4.497 -0.982 1.00 0.00 C ATOM 152 CE1 PHE A 10 108.564 -2.179 -2.352 1.00 0.00 C ATOM 153 CE2 PHE A 10 109.134 -4.308 -1.341 1.00 0.00 C ATOM 154 CZ PHE A 10 109.519 -3.150 -2.026 1.00 0.00 C ATOM 0 H PHE A 10 103.925 -3.871 1.733 1.00 0.00 H new ATOM 0 HA PHE A 10 105.867 -2.148 0.466 1.00 0.00 H new ATOM 0 HB2 PHE A 10 105.216 -4.778 -0.679 1.00 0.00 H new ATOM 0 HB3 PHE A 10 104.743 -3.482 -1.759 1.00 0.00 H new ATOM 0 HD1 PHE A 10 106.487 -1.618 -2.244 1.00 0.00 H new ATOM 0 HD2 PHE A 10 107.497 -5.391 -0.453 1.00 0.00 H new ATOM 0 HE1 PHE A 10 108.861 -1.285 -2.880 1.00 0.00 H new ATOM 0 HE2 PHE A 10 109.871 -5.056 -1.089 1.00 0.00 H new ATOM 0 HZ PHE A 10 110.553 -3.005 -2.303 1.00 0.00 H new ATOM 164 N GLN A 11 103.922 -1.071 -0.877 1.00 0.00 N ATOM 165 CA GLN A 11 102.802 -0.210 -1.245 1.00 0.00 C ATOM 166 C GLN A 11 101.684 -1.026 -1.888 1.00 0.00 C ATOM 167 O GLN A 11 101.853 -1.582 -2.974 1.00 0.00 O ATOM 168 CB GLN A 11 103.273 0.863 -2.227 1.00 0.00 C ATOM 169 CG GLN A 11 104.443 1.646 -1.627 1.00 0.00 C ATOM 170 CD GLN A 11 104.494 3.045 -2.234 1.00 0.00 C ATOM 171 OE1 GLN A 11 104.019 4.005 -1.626 1.00 0.00 O ATOM 172 NE2 GLN A 11 105.040 3.218 -3.406 1.00 0.00 N ATOM 0 H GLN A 11 104.798 -0.849 -1.349 1.00 0.00 H new ATOM 0 HA GLN A 11 102.420 0.261 -0.340 1.00 0.00 H new ATOM 0 HB2 GLN A 11 103.578 0.400 -3.165 1.00 0.00 H new ATOM 0 HB3 GLN A 11 102.452 1.541 -2.458 1.00 0.00 H new ATOM 0 HG2 GLN A 11 104.331 1.713 -0.545 1.00 0.00 H new ATOM 0 HG3 GLN A 11 105.379 1.122 -1.819 1.00 0.00 H new ATOM 0 HE21 GLN A 11 105.433 2.422 -3.908 1.00 0.00 H new ATOM 0 HE22 GLN A 11 105.074 4.149 -3.820 1.00 0.00 H new ATOM 181 N ILE A 12 100.541 -1.096 -1.204 1.00 0.00 N ATOM 182 CA ILE A 12 99.398 -1.851 -1.711 1.00 0.00 C ATOM 183 C ILE A 12 98.732 -1.110 -2.865 1.00 0.00 C ATOM 184 O ILE A 12 99.156 -0.015 -3.238 1.00 0.00 O ATOM 185 CB ILE A 12 98.375 -2.088 -0.592 1.00 0.00 C ATOM 186 CG1 ILE A 12 97.814 -0.743 -0.109 1.00 0.00 C ATOM 187 CG2 ILE A 12 99.050 -2.812 0.576 1.00 0.00 C ATOM 188 CD1 ILE A 12 96.523 -0.976 0.681 1.00 0.00 C ATOM 0 H ILE A 12 100.384 -0.642 -0.304 1.00 0.00 H new ATOM 0 HA ILE A 12 99.762 -2.813 -2.073 1.00 0.00 H new ATOM 0 HB ILE A 12 97.559 -2.701 -0.975 1.00 0.00 H new ATOM 0 HG12 ILE A 12 98.548 -0.235 0.517 1.00 0.00 H new ATOM 0 HG13 ILE A 12 97.618 -0.093 -0.961 1.00 0.00 H new ATOM 0 HG21 ILE A 12 98.322 -2.979 1.370 1.00 0.00 H new ATOM 0 HG22 ILE A 12 99.440 -3.770 0.233 1.00 0.00 H new ATOM 0 HG23 ILE A 12 99.869 -2.202 0.958 1.00 0.00 H new ATOM 0 HD11 ILE A 12 96.128 -0.019 1.022 1.00 0.00 H new ATOM 0 HD12 ILE A 12 95.788 -1.465 0.041 1.00 0.00 H new ATOM 0 HD13 ILE A 12 96.733 -1.610 1.543 1.00 0.00 H new ATOM 200 N PHE A 13 97.686 -1.713 -3.425 1.00 0.00 N ATOM 201 CA PHE A 13 96.969 -1.099 -4.536 1.00 0.00 C ATOM 202 C PHE A 13 95.514 -0.847 -4.165 1.00 0.00 C ATOM 203 O PHE A 13 94.815 -1.749 -3.707 1.00 0.00 O ATOM 204 CB PHE A 13 97.044 -2.001 -5.770 1.00 0.00 C ATOM 205 CG PHE A 13 98.406 -1.858 -6.411 1.00 0.00 C ATOM 206 CD1 PHE A 13 98.633 -0.846 -7.353 1.00 0.00 C ATOM 207 CD2 PHE A 13 99.441 -2.733 -6.060 1.00 0.00 C ATOM 208 CE1 PHE A 13 99.894 -0.711 -7.945 1.00 0.00 C ATOM 209 CE2 PHE A 13 100.703 -2.597 -6.651 1.00 0.00 C ATOM 210 CZ PHE A 13 100.930 -1.586 -7.594 1.00 0.00 C ATOM 0 H PHE A 13 97.320 -2.618 -3.130 1.00 0.00 H new ATOM 0 HA PHE A 13 97.439 -0.142 -4.762 1.00 0.00 H new ATOM 0 HB2 PHE A 13 96.870 -3.039 -5.487 1.00 0.00 H new ATOM 0 HB3 PHE A 13 96.264 -1.729 -6.481 1.00 0.00 H new ATOM 0 HD1 PHE A 13 97.835 -0.170 -7.622 1.00 0.00 H new ATOM 0 HD2 PHE A 13 99.266 -3.513 -5.334 1.00 0.00 H new ATOM 0 HE1 PHE A 13 100.068 0.068 -8.673 1.00 0.00 H new ATOM 0 HE2 PHE A 13 101.502 -3.272 -6.380 1.00 0.00 H new ATOM 0 HZ PHE A 13 101.903 -1.481 -8.050 1.00 0.00 H new ATOM 220 N ALA A 14 95.068 0.387 -4.382 1.00 0.00 N ATOM 221 CA ALA A 14 93.693 0.768 -4.087 1.00 0.00 C ATOM 222 C ALA A 14 92.980 1.157 -5.375 1.00 0.00 C ATOM 223 O ALA A 14 93.511 1.926 -6.177 1.00 0.00 O ATOM 224 CB ALA A 14 93.672 1.946 -3.110 1.00 0.00 C ATOM 0 H ALA A 14 95.641 1.140 -4.762 1.00 0.00 H new ATOM 0 HA ALA A 14 93.180 -0.080 -3.632 1.00 0.00 H new ATOM 0 HB1 ALA A 14 92.640 2.223 -2.896 1.00 0.00 H new ATOM 0 HB2 ALA A 14 94.170 1.659 -2.184 1.00 0.00 H new ATOM 0 HB3 ALA A 14 94.191 2.796 -3.553 1.00 0.00 H new ATOM 230 N LYS A 15 91.781 0.617 -5.574 1.00 0.00 N ATOM 231 CA LYS A 15 91.014 0.914 -6.778 1.00 0.00 C ATOM 232 C LYS A 15 89.653 1.499 -6.428 1.00 0.00 C ATOM 233 O LYS A 15 88.831 0.847 -5.782 1.00 0.00 O ATOM 234 CB LYS A 15 90.829 -0.351 -7.614 1.00 0.00 C ATOM 235 CG LYS A 15 90.483 0.040 -9.058 1.00 0.00 C ATOM 236 CD LYS A 15 91.422 -0.683 -10.029 1.00 0.00 C ATOM 237 CE LYS A 15 91.033 -2.160 -10.120 1.00 0.00 C ATOM 238 NZ LYS A 15 91.988 -2.867 -11.019 1.00 0.00 N ATOM 0 H LYS A 15 91.324 -0.022 -4.924 1.00 0.00 H new ATOM 0 HA LYS A 15 91.571 1.651 -7.357 1.00 0.00 H new ATOM 0 HB2 LYS A 15 91.740 -0.949 -7.596 1.00 0.00 H new ATOM 0 HB3 LYS A 15 90.035 -0.967 -7.192 1.00 0.00 H new ATOM 0 HG2 LYS A 15 89.447 -0.220 -9.277 1.00 0.00 H new ATOM 0 HG3 LYS A 15 90.574 1.119 -9.184 1.00 0.00 H new ATOM 0 HD2 LYS A 15 91.367 -0.221 -11.015 1.00 0.00 H new ATOM 0 HD3 LYS A 15 92.454 -0.589 -9.690 1.00 0.00 H new ATOM 0 HE2 LYS A 15 91.046 -2.613 -9.129 1.00 0.00 H new ATOM 0 HE3 LYS A 15 90.017 -2.257 -10.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 91.726 -3.871 -11.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 91.954 -2.440 -11.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 92.951 -2.784 -10.636 1.00 0.00 H new ATOM 252 N THR A 16 89.424 2.732 -6.866 1.00 0.00 N ATOM 253 CA THR A 16 88.158 3.404 -6.602 1.00 0.00 C ATOM 254 C THR A 16 87.025 2.731 -7.372 1.00 0.00 C ATOM 255 O THR A 16 87.265 1.895 -8.245 1.00 0.00 O ATOM 256 CB THR A 16 88.248 4.877 -7.009 1.00 0.00 C ATOM 257 OG1 THR A 16 88.364 4.970 -8.422 1.00 0.00 O ATOM 258 CG2 THR A 16 89.468 5.526 -6.348 1.00 0.00 C ATOM 0 H THR A 16 90.094 3.283 -7.402 1.00 0.00 H new ATOM 0 HA THR A 16 87.950 3.336 -5.534 1.00 0.00 H new ATOM 0 HB THR A 16 87.347 5.397 -6.682 1.00 0.00 H new ATOM 0 HG1 THR A 16 87.643 5.533 -8.773 1.00 0.00 H new ATOM 0 HG21 THR A 16 89.526 6.574 -6.642 1.00 0.00 H new ATOM 0 HG22 THR A 16 89.374 5.457 -5.264 1.00 0.00 H new ATOM 0 HG23 THR A 16 90.373 5.009 -6.667 1.00 0.00 H new ATOM 266 N LEU A 17 85.792 3.105 -7.042 1.00 0.00 N ATOM 267 CA LEU A 17 84.624 2.537 -7.707 1.00 0.00 C ATOM 268 C LEU A 17 84.591 2.953 -9.177 1.00 0.00 C ATOM 269 O LEU A 17 83.971 2.287 -10.007 1.00 0.00 O ATOM 270 CB LEU A 17 83.346 3.008 -6.999 1.00 0.00 C ATOM 271 CG LEU A 17 82.109 2.369 -7.648 1.00 0.00 C ATOM 272 CD1 LEU A 17 82.284 0.849 -7.731 1.00 0.00 C ATOM 273 CD2 LEU A 17 80.871 2.693 -6.805 1.00 0.00 C ATOM 0 H LEU A 17 85.577 3.795 -6.322 1.00 0.00 H new ATOM 0 HA LEU A 17 84.684 1.450 -7.656 1.00 0.00 H new ATOM 0 HB2 LEU A 17 83.389 2.742 -5.943 1.00 0.00 H new ATOM 0 HB3 LEU A 17 83.272 4.094 -7.052 1.00 0.00 H new ATOM 0 HG LEU A 17 81.987 2.769 -8.655 1.00 0.00 H new ATOM 0 HD11 LEU A 17 81.402 0.406 -8.193 1.00 0.00 H new ATOM 0 HD12 LEU A 17 83.163 0.616 -8.332 1.00 0.00 H new ATOM 0 HD13 LEU A 17 82.412 0.442 -6.728 1.00 0.00 H new ATOM 0 HD21 LEU A 17 79.991 2.241 -7.262 1.00 0.00 H new ATOM 0 HD22 LEU A 17 81.002 2.295 -5.799 1.00 0.00 H new ATOM 0 HD23 LEU A 17 80.739 3.774 -6.753 1.00 0.00 H new ATOM 285 N THR A 18 85.267 4.056 -9.491 1.00 0.00 N ATOM 286 CA THR A 18 85.313 4.553 -10.864 1.00 0.00 C ATOM 287 C THR A 18 86.333 3.768 -11.689 1.00 0.00 C ATOM 288 O THR A 18 86.272 3.760 -12.919 1.00 0.00 O ATOM 289 CB THR A 18 85.681 6.041 -10.873 1.00 0.00 C ATOM 290 OG1 THR A 18 86.979 6.210 -10.320 1.00 0.00 O ATOM 291 CG2 THR A 18 84.664 6.830 -10.045 1.00 0.00 C ATOM 0 H THR A 18 85.787 4.619 -8.818 1.00 0.00 H new ATOM 0 HA THR A 18 84.326 4.421 -11.308 1.00 0.00 H new ATOM 0 HB THR A 18 85.671 6.410 -11.899 1.00 0.00 H new ATOM 0 HG1 THR A 18 87.216 7.161 -10.326 1.00 0.00 H new ATOM 0 HG21 THR A 18 84.929 7.887 -10.054 1.00 0.00 H new ATOM 0 HG22 THR A 18 83.669 6.702 -10.472 1.00 0.00 H new ATOM 0 HG23 THR A 18 84.668 6.464 -9.018 1.00 0.00 H new ATOM 299 N GLY A 19 87.268 3.113 -11.003 1.00 0.00 N ATOM 300 CA GLY A 19 88.297 2.327 -11.680 1.00 0.00 C ATOM 301 C GLY A 19 89.617 3.088 -11.742 1.00 0.00 C ATOM 302 O GLY A 19 90.297 3.087 -12.769 1.00 0.00 O ATOM 0 H GLY A 19 87.334 3.111 -9.985 1.00 0.00 H new ATOM 0 HA2 GLY A 19 88.442 1.383 -11.155 1.00 0.00 H new ATOM 0 HA3 GLY A 19 87.967 2.083 -12.690 1.00 0.00 H new ATOM 306 N LYS A 20 89.974 3.731 -10.633 1.00 0.00 N ATOM 307 CA LYS A 20 91.219 4.493 -10.557 1.00 0.00 C ATOM 308 C LYS A 20 92.268 3.704 -9.781 1.00 0.00 C ATOM 309 O LYS A 20 92.031 3.306 -8.642 1.00 0.00 O ATOM 310 CB LYS A 20 90.963 5.838 -9.863 1.00 0.00 C ATOM 311 CG LYS A 20 92.281 6.602 -9.686 1.00 0.00 C ATOM 312 CD LYS A 20 92.820 7.034 -11.053 1.00 0.00 C ATOM 313 CE LYS A 20 93.827 8.173 -10.871 1.00 0.00 C ATOM 314 NZ LYS A 20 93.094 9.447 -10.622 1.00 0.00 N ATOM 0 H LYS A 20 89.421 3.740 -9.776 1.00 0.00 H new ATOM 0 HA LYS A 20 91.586 4.674 -11.567 1.00 0.00 H new ATOM 0 HB2 LYS A 20 90.266 6.433 -10.453 1.00 0.00 H new ATOM 0 HB3 LYS A 20 90.497 5.671 -8.892 1.00 0.00 H new ATOM 0 HG2 LYS A 20 92.123 7.476 -9.055 1.00 0.00 H new ATOM 0 HG3 LYS A 20 93.012 5.971 -9.180 1.00 0.00 H new ATOM 0 HD2 LYS A 20 93.297 6.190 -11.551 1.00 0.00 H new ATOM 0 HD3 LYS A 20 91.999 7.359 -11.693 1.00 0.00 H new ATOM 0 HE2 LYS A 20 94.493 7.955 -10.036 1.00 0.00 H new ATOM 0 HE3 LYS A 20 94.451 8.267 -11.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 93.732 10.252 -10.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 92.283 9.513 -11.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 92.754 9.466 -9.639 1.00 0.00 H new ATOM 328 N THR A 21 93.428 3.490 -10.396 1.00 0.00 N ATOM 329 CA THR A 21 94.505 2.753 -9.742 1.00 0.00 C ATOM 330 C THR A 21 95.333 3.696 -8.873 1.00 0.00 C ATOM 331 O THR A 21 95.884 4.682 -9.364 1.00 0.00 O ATOM 332 CB THR A 21 95.407 2.091 -10.791 1.00 0.00 C ATOM 333 OG1 THR A 21 94.641 1.783 -11.947 1.00 0.00 O ATOM 334 CG2 THR A 21 96.007 0.804 -10.217 1.00 0.00 C ATOM 0 H THR A 21 93.645 3.813 -11.339 1.00 0.00 H new ATOM 0 HA THR A 21 94.065 1.980 -9.112 1.00 0.00 H new ATOM 0 HB THR A 21 96.212 2.775 -11.059 1.00 0.00 H new ATOM 0 HG1 THR A 21 95.217 1.362 -12.618 1.00 0.00 H new ATOM 0 HG21 THR A 21 96.647 0.336 -10.965 1.00 0.00 H new ATOM 0 HG22 THR A 21 96.597 1.041 -9.331 1.00 0.00 H new ATOM 0 HG23 THR A 21 95.205 0.118 -9.946 1.00 0.00 H new ATOM 342 N ILE A 22 95.403 3.393 -7.579 1.00 0.00 N ATOM 343 CA ILE A 22 96.155 4.228 -6.645 1.00 0.00 C ATOM 344 C ILE A 22 97.056 3.372 -5.758 1.00 0.00 C ATOM 345 O ILE A 22 96.609 2.383 -5.176 1.00 0.00 O ATOM 346 CB ILE A 22 95.187 5.035 -5.772 1.00 0.00 C ATOM 347 CG1 ILE A 22 94.116 5.688 -6.661 1.00 0.00 C ATOM 348 CG2 ILE A 22 95.959 6.124 -5.021 1.00 0.00 C ATOM 349 CD1 ILE A 22 92.999 6.266 -5.790 1.00 0.00 C ATOM 0 H ILE A 22 94.952 2.582 -7.155 1.00 0.00 H new ATOM 0 HA ILE A 22 96.781 4.910 -7.221 1.00 0.00 H new ATOM 0 HB ILE A 22 94.708 4.369 -5.054 1.00 0.00 H new ATOM 0 HG12 ILE A 22 94.564 6.477 -7.265 1.00 0.00 H new ATOM 0 HG13 ILE A 22 93.706 4.952 -7.352 1.00 0.00 H new ATOM 0 HG21 ILE A 22 95.270 6.697 -4.401 1.00 0.00 H new ATOM 0 HG22 ILE A 22 96.717 5.662 -4.389 1.00 0.00 H new ATOM 0 HG23 ILE A 22 96.440 6.789 -5.738 1.00 0.00 H new ATOM 0 HD11 ILE A 22 92.243 6.727 -6.426 1.00 0.00 H new ATOM 0 HD12 ILE A 22 92.543 5.467 -5.206 1.00 0.00 H new ATOM 0 HD13 ILE A 22 93.414 7.016 -5.117 1.00 0.00 H new ATOM 361 N THR A 23 98.325 3.764 -5.659 1.00 0.00 N ATOM 362 CA THR A 23 99.288 3.034 -4.840 1.00 0.00 C ATOM 363 C THR A 23 99.606 3.819 -3.569 1.00 0.00 C ATOM 364 O THR A 23 99.941 5.002 -3.628 1.00 0.00 O ATOM 365 CB THR A 23 100.576 2.797 -5.638 1.00 0.00 C ATOM 366 OG1 THR A 23 100.251 2.218 -6.895 1.00 0.00 O ATOM 367 CG2 THR A 23 101.500 1.852 -4.865 1.00 0.00 C ATOM 0 H THR A 23 98.708 4.581 -6.135 1.00 0.00 H new ATOM 0 HA THR A 23 98.854 2.074 -4.562 1.00 0.00 H new ATOM 0 HB THR A 23 101.085 3.749 -5.792 1.00 0.00 H new ATOM 0 HG1 THR A 23 100.223 1.242 -6.808 1.00 0.00 H new ATOM 0 HG21 THR A 23 102.413 1.688 -5.437 1.00 0.00 H new ATOM 0 HG22 THR A 23 101.750 2.296 -3.901 1.00 0.00 H new ATOM 0 HG23 THR A 23 100.995 0.899 -4.706 1.00 0.00 H new ATOM 375 N LEU A 24 99.491 3.152 -2.421 1.00 0.00 N ATOM 376 CA LEU A 24 99.761 3.796 -1.135 1.00 0.00 C ATOM 377 C LEU A 24 100.669 2.921 -0.268 1.00 0.00 C ATOM 378 O LEU A 24 100.521 1.698 -0.234 1.00 0.00 O ATOM 379 CB LEU A 24 98.447 4.072 -0.392 1.00 0.00 C ATOM 380 CG LEU A 24 97.425 2.971 -0.704 1.00 0.00 C ATOM 381 CD1 LEU A 24 96.485 2.790 0.491 1.00 0.00 C ATOM 382 CD2 LEU A 24 96.604 3.364 -1.939 1.00 0.00 C ATOM 0 H LEU A 24 99.215 2.172 -2.354 1.00 0.00 H new ATOM 0 HA LEU A 24 100.269 4.740 -1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 24 98.629 4.116 0.682 1.00 0.00 H new ATOM 0 HB3 LEU A 24 98.049 5.043 -0.688 1.00 0.00 H new ATOM 0 HG LEU A 24 97.952 2.037 -0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 24 95.760 2.008 0.268 1.00 0.00 H new ATOM 0 HD12 LEU A 24 97.064 2.508 1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 24 95.961 3.726 0.687 1.00 0.00 H new ATOM 0 HD21 LEU A 24 95.879 2.580 -2.158 1.00 0.00 H new ATOM 0 HD22 LEU A 24 96.079 4.300 -1.745 1.00 0.00 H new ATOM 0 HD23 LEU A 24 97.270 3.492 -2.793 1.00 0.00 H new ATOM 394 N GLU A 25 101.608 3.565 0.428 1.00 0.00 N ATOM 395 CA GLU A 25 102.545 2.852 1.297 1.00 0.00 C ATOM 396 C GLU A 25 101.923 2.577 2.665 1.00 0.00 C ATOM 397 O GLU A 25 101.806 3.477 3.497 1.00 0.00 O ATOM 398 CB GLU A 25 103.835 3.666 1.473 1.00 0.00 C ATOM 399 CG GLU A 25 103.518 5.166 1.459 1.00 0.00 C ATOM 400 CD GLU A 25 104.703 5.956 2.006 1.00 0.00 C ATOM 401 OE1 GLU A 25 105.646 6.165 1.258 1.00 0.00 O ATOM 402 OE2 GLU A 25 104.652 6.339 3.163 1.00 0.00 O ATOM 0 H GLU A 25 101.739 4.576 0.407 1.00 0.00 H new ATOM 0 HA GLU A 25 102.781 1.899 0.823 1.00 0.00 H new ATOM 0 HB2 GLU A 25 104.318 3.397 2.412 1.00 0.00 H new ATOM 0 HB3 GLU A 25 104.537 3.427 0.674 1.00 0.00 H new ATOM 0 HG2 GLU A 25 103.293 5.489 0.442 1.00 0.00 H new ATOM 0 HG3 GLU A 25 102.630 5.364 2.060 1.00 0.00 H new ATOM 409 N VAL A 26 101.526 1.324 2.884 1.00 0.00 N ATOM 410 CA VAL A 26 100.915 0.932 4.154 1.00 0.00 C ATOM 411 C VAL A 26 101.556 -0.339 4.707 1.00 0.00 C ATOM 412 O VAL A 26 102.015 -1.198 3.952 1.00 0.00 O ATOM 413 CB VAL A 26 99.411 0.705 3.972 1.00 0.00 C ATOM 414 CG1 VAL A 26 98.764 1.970 3.399 1.00 0.00 C ATOM 415 CG2 VAL A 26 99.180 -0.467 3.012 1.00 0.00 C ATOM 0 H VAL A 26 101.615 0.568 2.205 1.00 0.00 H new ATOM 0 HA VAL A 26 101.079 1.742 4.865 1.00 0.00 H new ATOM 0 HB VAL A 26 98.963 0.476 4.939 1.00 0.00 H new ATOM 0 HG11 VAL A 26 97.694 1.805 3.271 1.00 0.00 H new ATOM 0 HG12 VAL A 26 98.923 2.803 4.084 1.00 0.00 H new ATOM 0 HG13 VAL A 26 99.214 2.203 2.434 1.00 0.00 H new ATOM 0 HG21 VAL A 26 98.109 -0.627 2.884 1.00 0.00 H new ATOM 0 HG22 VAL A 26 99.631 -0.240 2.046 1.00 0.00 H new ATOM 0 HG23 VAL A 26 99.635 -1.369 3.422 1.00 0.00 H new ATOM 425 N GLU A 27 101.571 -0.445 6.034 1.00 0.00 N ATOM 426 CA GLU A 27 102.141 -1.611 6.703 1.00 0.00 C ATOM 427 C GLU A 27 101.236 -2.823 6.505 1.00 0.00 C ATOM 428 O GLU A 27 100.074 -2.678 6.134 1.00 0.00 O ATOM 429 CB GLU A 27 102.297 -1.333 8.201 1.00 0.00 C ATOM 430 CG GLU A 27 103.133 -0.064 8.412 1.00 0.00 C ATOM 431 CD GLU A 27 102.589 0.733 9.595 1.00 0.00 C ATOM 432 OE1 GLU A 27 102.561 0.191 10.688 1.00 0.00 O ATOM 433 OE2 GLU A 27 102.208 1.875 9.393 1.00 0.00 O ATOM 0 H GLU A 27 101.195 0.262 6.666 1.00 0.00 H new ATOM 0 HA GLU A 27 103.120 -1.817 6.270 1.00 0.00 H new ATOM 0 HB2 GLU A 27 101.316 -1.214 8.662 1.00 0.00 H new ATOM 0 HB3 GLU A 27 102.778 -2.181 8.689 1.00 0.00 H new ATOM 0 HG2 GLU A 27 104.174 -0.331 8.592 1.00 0.00 H new ATOM 0 HG3 GLU A 27 103.112 0.549 7.511 1.00 0.00 H new ATOM 440 N SER A 28 101.770 -4.015 6.752 1.00 0.00 N ATOM 441 CA SER A 28 100.987 -5.237 6.593 1.00 0.00 C ATOM 442 C SER A 28 99.890 -5.317 7.648 1.00 0.00 C ATOM 443 O SER A 28 98.916 -6.049 7.483 1.00 0.00 O ATOM 444 CB SER A 28 101.898 -6.460 6.706 1.00 0.00 C ATOM 445 OG SER A 28 102.619 -6.399 7.930 1.00 0.00 O ATOM 0 H SER A 28 102.731 -4.161 7.060 1.00 0.00 H new ATOM 0 HA SER A 28 100.522 -5.220 5.607 1.00 0.00 H new ATOM 0 HB2 SER A 28 101.305 -7.374 6.665 1.00 0.00 H new ATOM 0 HB3 SER A 28 102.590 -6.491 5.864 1.00 0.00 H new ATOM 0 HG SER A 28 103.202 -7.183 8.005 1.00 0.00 H new ATOM 451 N SER A 29 100.077 -4.591 8.745 1.00 0.00 N ATOM 452 CA SER A 29 99.125 -4.600 9.849 1.00 0.00 C ATOM 453 C SER A 29 98.464 -3.234 10.027 1.00 0.00 C ATOM 454 O SER A 29 97.689 -3.034 10.964 1.00 0.00 O ATOM 455 CB SER A 29 99.847 -4.984 11.143 1.00 0.00 C ATOM 456 OG SER A 29 98.898 -5.119 12.193 1.00 0.00 O ATOM 0 H SER A 29 100.884 -3.986 8.893 1.00 0.00 H new ATOM 0 HA SER A 29 98.348 -5.329 9.619 1.00 0.00 H new ATOM 0 HB2 SER A 29 100.389 -5.920 11.006 1.00 0.00 H new ATOM 0 HB3 SER A 29 100.584 -4.223 11.400 1.00 0.00 H new ATOM 0 HG SER A 29 98.250 -4.385 12.145 1.00 0.00 H new ATOM 462 N ASP A 30 98.772 -2.294 9.131 1.00 0.00 N ATOM 463 CA ASP A 30 98.197 -0.951 9.212 1.00 0.00 C ATOM 464 C ASP A 30 96.683 -1.017 9.405 1.00 0.00 C ATOM 465 O ASP A 30 96.052 -2.033 9.112 1.00 0.00 O ATOM 466 CB ASP A 30 98.516 -0.167 7.931 1.00 0.00 C ATOM 467 CG ASP A 30 99.265 1.124 8.261 1.00 0.00 C ATOM 468 OD1 ASP A 30 98.921 1.760 9.245 1.00 0.00 O ATOM 469 OD2 ASP A 30 100.172 1.462 7.517 1.00 0.00 O ATOM 0 H ASP A 30 99.410 -2.436 8.348 1.00 0.00 H new ATOM 0 HA ASP A 30 98.636 -0.444 10.071 1.00 0.00 H new ATOM 0 HB2 ASP A 30 99.118 -0.782 7.263 1.00 0.00 H new ATOM 0 HB3 ASP A 30 97.592 0.068 7.402 1.00 0.00 H new ATOM 474 N THR A 31 96.105 0.077 9.896 1.00 0.00 N ATOM 475 CA THR A 31 94.664 0.138 10.123 1.00 0.00 C ATOM 476 C THR A 31 93.969 0.831 8.958 1.00 0.00 C ATOM 477 O THR A 31 94.590 1.601 8.224 1.00 0.00 O ATOM 478 CB THR A 31 94.370 0.900 11.420 1.00 0.00 C ATOM 479 OG1 THR A 31 94.681 2.276 11.242 1.00 0.00 O ATOM 480 CG2 THR A 31 95.218 0.327 12.558 1.00 0.00 C ATOM 0 H THR A 31 96.609 0.928 10.143 1.00 0.00 H new ATOM 0 HA THR A 31 94.285 -0.881 10.206 1.00 0.00 H new ATOM 0 HB THR A 31 93.314 0.795 11.669 1.00 0.00 H new ATOM 0 HG1 THR A 31 94.492 2.764 12.071 1.00 0.00 H new ATOM 0 HG21 THR A 31 95.007 0.871 13.479 1.00 0.00 H new ATOM 0 HG22 THR A 31 94.977 -0.727 12.696 1.00 0.00 H new ATOM 0 HG23 THR A 31 96.275 0.429 12.311 1.00 0.00 H new ATOM 488 N ILE A 32 92.676 0.557 8.793 1.00 0.00 N ATOM 489 CA ILE A 32 91.907 1.167 7.713 1.00 0.00 C ATOM 490 C ILE A 32 92.057 2.685 7.753 1.00 0.00 C ATOM 491 O ILE A 32 92.327 3.315 6.731 1.00 0.00 O ATOM 492 CB ILE A 32 90.427 0.782 7.835 1.00 0.00 C ATOM 493 CG1 ILE A 32 90.268 -0.735 7.652 1.00 0.00 C ATOM 494 CG2 ILE A 32 89.608 1.514 6.766 1.00 0.00 C ATOM 495 CD1 ILE A 32 90.906 -1.180 6.331 1.00 0.00 C ATOM 0 H ILE A 32 92.144 -0.078 9.388 1.00 0.00 H new ATOM 0 HA ILE A 32 92.289 0.800 6.761 1.00 0.00 H new ATOM 0 HB ILE A 32 90.066 1.068 8.823 1.00 0.00 H new ATOM 0 HG12 ILE A 32 90.736 -1.260 8.485 1.00 0.00 H new ATOM 0 HG13 ILE A 32 89.211 -1.001 7.661 1.00 0.00 H new ATOM 0 HG21 ILE A 32 88.558 1.236 6.858 1.00 0.00 H new ATOM 0 HG22 ILE A 32 89.712 2.590 6.902 1.00 0.00 H new ATOM 0 HG23 ILE A 32 89.971 1.237 5.776 1.00 0.00 H new ATOM 0 HD11 ILE A 32 90.786 -2.257 6.214 1.00 0.00 H new ATOM 0 HD12 ILE A 32 90.419 -0.668 5.501 1.00 0.00 H new ATOM 0 HD13 ILE A 32 91.967 -0.932 6.338 1.00 0.00 H new ATOM 507 N ASP A 33 91.885 3.267 8.939 1.00 0.00 N ATOM 508 CA ASP A 33 92.011 4.713 9.098 1.00 0.00 C ATOM 509 C ASP A 33 93.326 5.200 8.491 1.00 0.00 C ATOM 510 O ASP A 33 93.353 6.192 7.763 1.00 0.00 O ATOM 511 CB ASP A 33 91.960 5.086 10.583 1.00 0.00 C ATOM 512 CG ASP A 33 91.262 6.431 10.758 1.00 0.00 C ATOM 513 OD1 ASP A 33 91.862 7.437 10.415 1.00 0.00 O ATOM 514 OD2 ASP A 33 90.137 6.436 11.232 1.00 0.00 O ATOM 0 H ASP A 33 91.660 2.763 9.797 1.00 0.00 H new ATOM 0 HA ASP A 33 91.181 5.193 8.579 1.00 0.00 H new ATOM 0 HB2 ASP A 33 91.429 4.316 11.142 1.00 0.00 H new ATOM 0 HB3 ASP A 33 92.970 5.135 10.989 1.00 0.00 H new ATOM 519 N ASN A 34 94.410 4.483 8.786 1.00 0.00 N ATOM 520 CA ASN A 34 95.722 4.839 8.252 1.00 0.00 C ATOM 521 C ASN A 34 95.714 4.704 6.733 1.00 0.00 C ATOM 522 O ASN A 34 96.227 5.564 6.017 1.00 0.00 O ATOM 523 CB ASN A 34 96.797 3.920 8.843 1.00 0.00 C ATOM 524 CG ASN A 34 97.479 4.605 10.023 1.00 0.00 C ATOM 525 OD1 ASN A 34 96.939 4.622 11.129 1.00 0.00 O ATOM 526 ND2 ASN A 34 98.641 5.172 9.852 1.00 0.00 N ATOM 0 H ASN A 34 94.405 3.659 9.387 1.00 0.00 H new ATOM 0 HA ASN A 34 95.946 5.871 8.523 1.00 0.00 H new ATOM 0 HB2 ASN A 34 96.347 2.982 9.167 1.00 0.00 H new ATOM 0 HB3 ASN A 34 97.535 3.672 8.080 1.00 0.00 H new ATOM 0 HD21 ASN A 34 99.105 5.631 10.636 1.00 0.00 H new ATOM 0 HD22 ASN A 34 99.086 5.156 8.934 1.00 0.00 H new ATOM 533 N VAL A 35 95.111 3.619 6.259 1.00 0.00 N ATOM 534 CA VAL A 35 95.013 3.369 4.825 1.00 0.00 C ATOM 535 C VAL A 35 94.275 4.524 4.153 1.00 0.00 C ATOM 536 O VAL A 35 94.716 5.049 3.126 1.00 0.00 O ATOM 537 CB VAL A 35 94.274 2.048 4.567 1.00 0.00 C ATOM 538 CG1 VAL A 35 94.073 1.851 3.061 1.00 0.00 C ATOM 539 CG2 VAL A 35 95.097 0.882 5.126 1.00 0.00 C ATOM 0 H VAL A 35 94.684 2.901 6.844 1.00 0.00 H new ATOM 0 HA VAL A 35 96.016 3.293 4.406 1.00 0.00 H new ATOM 0 HB VAL A 35 93.302 2.080 5.060 1.00 0.00 H new ATOM 0 HG11 VAL A 35 93.548 0.912 2.884 1.00 0.00 H new ATOM 0 HG12 VAL A 35 93.484 2.677 2.661 1.00 0.00 H new ATOM 0 HG13 VAL A 35 95.043 1.824 2.565 1.00 0.00 H new ATOM 0 HG21 VAL A 35 94.572 -0.055 4.942 1.00 0.00 H new ATOM 0 HG22 VAL A 35 96.070 0.855 4.635 1.00 0.00 H new ATOM 0 HG23 VAL A 35 95.236 1.016 6.199 1.00 0.00 H new ATOM 549 N LYS A 36 93.156 4.922 4.753 1.00 0.00 N ATOM 550 CA LYS A 36 92.361 6.023 4.223 1.00 0.00 C ATOM 551 C LYS A 36 93.161 7.321 4.260 1.00 0.00 C ATOM 552 O LYS A 36 93.406 7.931 3.223 1.00 0.00 O ATOM 553 CB LYS A 36 91.076 6.183 5.039 1.00 0.00 C ATOM 554 CG LYS A 36 90.150 4.990 4.778 1.00 0.00 C ATOM 555 CD LYS A 36 88.688 5.454 4.798 1.00 0.00 C ATOM 556 CE LYS A 36 88.096 5.243 6.196 1.00 0.00 C ATOM 557 NZ LYS A 36 88.896 6.005 7.197 1.00 0.00 N ATOM 0 H LYS A 36 92.782 4.500 5.603 1.00 0.00 H new ATOM 0 HA LYS A 36 92.102 5.798 3.188 1.00 0.00 H new ATOM 0 HB2 LYS A 36 91.313 6.247 6.101 1.00 0.00 H new ATOM 0 HB3 LYS A 36 90.574 7.112 4.768 1.00 0.00 H new ATOM 0 HG2 LYS A 36 90.385 4.539 3.814 1.00 0.00 H new ATOM 0 HG3 LYS A 36 90.308 4.222 5.536 1.00 0.00 H new ATOM 0 HD2 LYS A 36 88.627 6.507 4.522 1.00 0.00 H new ATOM 0 HD3 LYS A 36 88.110 4.897 4.060 1.00 0.00 H new ATOM 0 HE2 LYS A 36 87.058 5.575 6.216 1.00 0.00 H new ATOM 0 HE3 LYS A 36 88.097 4.182 6.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 88.386 6.030 8.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 89.817 5.541 7.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 89.044 6.976 6.856 1.00 0.00 H new ATOM 571 N SER A 37 93.570 7.737 5.459 1.00 0.00 N ATOM 572 CA SER A 37 94.348 8.965 5.606 1.00 0.00 C ATOM 573 C SER A 37 95.478 8.999 4.577 1.00 0.00 C ATOM 574 O SER A 37 95.652 9.985 3.863 1.00 0.00 O ATOM 575 CB SER A 37 94.932 9.055 7.018 1.00 0.00 C ATOM 576 OG SER A 37 95.708 7.894 7.281 1.00 0.00 O ATOM 0 H SER A 37 93.378 7.247 6.333 1.00 0.00 H new ATOM 0 HA SER A 37 93.688 9.817 5.439 1.00 0.00 H new ATOM 0 HB2 SER A 37 95.550 9.948 7.112 1.00 0.00 H new ATOM 0 HB3 SER A 37 94.130 9.144 7.751 1.00 0.00 H new ATOM 0 HG SER A 37 96.211 8.018 8.113 1.00 0.00 H new ATOM 582 N LYS A 38 96.233 7.905 4.503 1.00 0.00 N ATOM 583 CA LYS A 38 97.335 7.809 3.550 1.00 0.00 C ATOM 584 C LYS A 38 96.850 8.196 2.156 1.00 0.00 C ATOM 585 O LYS A 38 97.570 8.841 1.394 1.00 0.00 O ATOM 586 CB LYS A 38 97.892 6.382 3.524 1.00 0.00 C ATOM 587 CG LYS A 38 99.174 6.316 4.360 1.00 0.00 C ATOM 588 CD LYS A 38 100.374 6.739 3.501 1.00 0.00 C ATOM 589 CE LYS A 38 101.244 7.734 4.274 1.00 0.00 C ATOM 590 NZ LYS A 38 100.901 9.123 3.857 1.00 0.00 N ATOM 0 H LYS A 38 96.103 7.079 5.087 1.00 0.00 H new ATOM 0 HA LYS A 38 98.126 8.492 3.860 1.00 0.00 H new ATOM 0 HB2 LYS A 38 97.153 5.685 3.918 1.00 0.00 H new ATOM 0 HB3 LYS A 38 98.099 6.080 2.497 1.00 0.00 H new ATOM 0 HG2 LYS A 38 99.088 6.969 5.228 1.00 0.00 H new ATOM 0 HG3 LYS A 38 99.323 5.304 4.736 1.00 0.00 H new ATOM 0 HD2 LYS A 38 100.963 5.864 3.228 1.00 0.00 H new ATOM 0 HD3 LYS A 38 100.026 7.192 2.573 1.00 0.00 H new ATOM 0 HE2 LYS A 38 101.086 7.615 5.346 1.00 0.00 H new ATOM 0 HE3 LYS A 38 102.299 7.536 4.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 101.767 9.697 3.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 100.453 9.103 2.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 100.243 9.540 4.546 1.00 0.00 H new ATOM 604 N ILE A 39 95.618 7.801 1.838 1.00 0.00 N ATOM 605 CA ILE A 39 95.034 8.114 0.539 1.00 0.00 C ATOM 606 C ILE A 39 94.821 9.624 0.395 1.00 0.00 C ATOM 607 O ILE A 39 95.053 10.186 -0.672 1.00 0.00 O ATOM 608 CB ILE A 39 93.706 7.351 0.364 1.00 0.00 C ATOM 609 CG1 ILE A 39 93.682 6.667 -1.012 1.00 0.00 C ATOM 610 CG2 ILE A 39 92.503 8.300 0.483 1.00 0.00 C ATOM 611 CD1 ILE A 39 93.800 7.714 -2.126 1.00 0.00 C ATOM 0 H ILE A 39 95.010 7.267 2.459 1.00 0.00 H new ATOM 0 HA ILE A 39 95.722 7.797 -0.245 1.00 0.00 H new ATOM 0 HB ILE A 39 93.635 6.603 1.154 1.00 0.00 H new ATOM 0 HG12 ILE A 39 94.502 5.953 -1.086 1.00 0.00 H new ATOM 0 HG13 ILE A 39 92.757 6.103 -1.130 1.00 0.00 H new ATOM 0 HG21 ILE A 39 91.580 7.735 0.355 1.00 0.00 H new ATOM 0 HG22 ILE A 39 92.507 8.771 1.466 1.00 0.00 H new ATOM 0 HG23 ILE A 39 92.568 9.068 -0.288 1.00 0.00 H new ATOM 0 HD11 ILE A 39 93.782 7.217 -3.096 1.00 0.00 H new ATOM 0 HD12 ILE A 39 92.965 8.411 -2.060 1.00 0.00 H new ATOM 0 HD13 ILE A 39 94.737 8.259 -2.015 1.00 0.00 H new ATOM 623 N GLN A 40 94.373 10.273 1.472 1.00 0.00 N ATOM 624 CA GLN A 40 94.130 11.717 1.439 1.00 0.00 C ATOM 625 C GLN A 40 95.418 12.478 1.146 1.00 0.00 C ATOM 626 O GLN A 40 95.390 13.559 0.568 1.00 0.00 O ATOM 627 CB GLN A 40 93.521 12.187 2.768 1.00 0.00 C ATOM 628 CG GLN A 40 94.596 12.794 3.679 1.00 0.00 C ATOM 629 CD GLN A 40 94.081 12.871 5.112 1.00 0.00 C ATOM 630 OE1 GLN A 40 93.154 13.628 5.400 1.00 0.00 O ATOM 631 NE2 GLN A 40 94.630 12.128 6.034 1.00 0.00 N ATOM 0 H GLN A 40 94.173 9.828 2.368 1.00 0.00 H new ATOM 0 HA GLN A 40 93.422 11.925 0.637 1.00 0.00 H new ATOM 0 HB2 GLN A 40 92.743 12.926 2.575 1.00 0.00 H new ATOM 0 HB3 GLN A 40 93.044 11.346 3.272 1.00 0.00 H new ATOM 0 HG2 GLN A 40 95.501 12.188 3.641 1.00 0.00 H new ATOM 0 HG3 GLN A 40 94.864 13.790 3.326 1.00 0.00 H new ATOM 0 HE21 GLN A 40 95.398 11.501 5.794 1.00 0.00 H new ATOM 0 HE22 GLN A 40 94.291 12.174 6.995 1.00 0.00 H new ATOM 640 N ASP A 41 96.550 11.898 1.521 1.00 0.00 N ATOM 641 CA ASP A 41 97.830 12.538 1.252 1.00 0.00 C ATOM 642 C ASP A 41 98.180 12.321 -0.214 1.00 0.00 C ATOM 643 O ASP A 41 98.926 13.090 -0.820 1.00 0.00 O ATOM 644 CB ASP A 41 98.920 11.939 2.147 1.00 0.00 C ATOM 645 CG ASP A 41 100.206 12.751 2.022 1.00 0.00 C ATOM 646 OD1 ASP A 41 100.326 13.744 2.722 1.00 0.00 O ATOM 647 OD2 ASP A 41 101.049 12.370 1.228 1.00 0.00 O ATOM 0 H ASP A 41 96.609 11.001 2.004 1.00 0.00 H new ATOM 0 HA ASP A 41 97.762 13.605 1.465 1.00 0.00 H new ATOM 0 HB2 ASP A 41 98.586 11.930 3.184 1.00 0.00 H new ATOM 0 HB3 ASP A 41 99.106 10.903 1.863 1.00 0.00 H new ATOM 652 N LYS A 42 97.631 11.239 -0.758 1.00 0.00 N ATOM 653 CA LYS A 42 97.867 10.858 -2.143 1.00 0.00 C ATOM 654 C LYS A 42 96.866 11.527 -3.098 1.00 0.00 C ATOM 655 O LYS A 42 97.258 12.016 -4.158 1.00 0.00 O ATOM 656 CB LYS A 42 97.768 9.329 -2.255 1.00 0.00 C ATOM 657 CG LYS A 42 97.619 8.898 -3.718 1.00 0.00 C ATOM 658 CD LYS A 42 98.900 9.222 -4.496 1.00 0.00 C ATOM 659 CE LYS A 42 99.992 8.203 -4.145 1.00 0.00 C ATOM 660 NZ LYS A 42 100.297 7.368 -5.341 1.00 0.00 N ATOM 0 H LYS A 42 97.013 10.605 -0.252 1.00 0.00 H new ATOM 0 HA LYS A 42 98.862 11.196 -2.434 1.00 0.00 H new ATOM 0 HB2 LYS A 42 98.658 8.870 -1.825 1.00 0.00 H new ATOM 0 HB3 LYS A 42 96.915 8.972 -1.678 1.00 0.00 H new ATOM 0 HG2 LYS A 42 97.413 7.829 -3.771 1.00 0.00 H new ATOM 0 HG3 LYS A 42 96.770 9.409 -4.171 1.00 0.00 H new ATOM 0 HD2 LYS A 42 98.701 9.201 -5.567 1.00 0.00 H new ATOM 0 HD3 LYS A 42 99.238 10.230 -4.254 1.00 0.00 H new ATOM 0 HE2 LYS A 42 100.892 8.719 -3.810 1.00 0.00 H new ATOM 0 HE3 LYS A 42 99.662 7.570 -3.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 100.321 6.365 -5.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 99.561 7.512 -6.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 101.221 7.643 -5.730 1.00 0.00 H new ATOM 674 N GLU A 43 95.578 11.521 -2.738 1.00 0.00 N ATOM 675 CA GLU A 43 94.549 12.106 -3.605 1.00 0.00 C ATOM 676 C GLU A 43 93.738 13.202 -2.902 1.00 0.00 C ATOM 677 O GLU A 43 92.730 13.666 -3.437 1.00 0.00 O ATOM 678 CB GLU A 43 93.599 11.003 -4.084 1.00 0.00 C ATOM 679 CG GLU A 43 94.304 10.127 -5.126 1.00 0.00 C ATOM 680 CD GLU A 43 93.510 10.122 -6.430 1.00 0.00 C ATOM 681 OE1 GLU A 43 92.603 9.314 -6.547 1.00 0.00 O ATOM 682 OE2 GLU A 43 93.820 10.927 -7.293 1.00 0.00 O ATOM 0 H GLU A 43 95.227 11.124 -1.866 1.00 0.00 H new ATOM 0 HA GLU A 43 95.061 12.569 -4.449 1.00 0.00 H new ATOM 0 HB2 GLU A 43 93.280 10.393 -3.239 1.00 0.00 H new ATOM 0 HB3 GLU A 43 92.701 11.446 -4.515 1.00 0.00 H new ATOM 0 HG2 GLU A 43 95.312 10.502 -5.306 1.00 0.00 H new ATOM 0 HG3 GLU A 43 94.405 9.109 -4.749 1.00 0.00 H new ATOM 689 N GLY A 44 94.185 13.630 -1.725 1.00 0.00 N ATOM 690 CA GLY A 44 93.486 14.690 -0.993 1.00 0.00 C ATOM 691 C GLY A 44 92.221 14.169 -0.316 1.00 0.00 C ATOM 692 O GLY A 44 91.938 14.510 0.833 1.00 0.00 O ATOM 0 H GLY A 44 95.017 13.267 -1.260 1.00 0.00 H new ATOM 0 HA2 GLY A 44 94.152 15.114 -0.242 1.00 0.00 H new ATOM 0 HA3 GLY A 44 93.226 15.496 -1.679 1.00 0.00 H new ATOM 696 N ILE A 45 91.464 13.353 -1.048 1.00 0.00 N ATOM 697 CA ILE A 45 90.213 12.783 -0.539 1.00 0.00 C ATOM 698 C ILE A 45 90.308 12.482 0.959 1.00 0.00 C ATOM 699 O ILE A 45 91.134 11.674 1.383 1.00 0.00 O ATOM 700 CB ILE A 45 89.886 11.489 -1.295 1.00 0.00 C ATOM 701 CG1 ILE A 45 90.218 11.653 -2.786 1.00 0.00 C ATOM 702 CG2 ILE A 45 88.398 11.165 -1.134 1.00 0.00 C ATOM 703 CD1 ILE A 45 89.472 12.861 -3.364 1.00 0.00 C ATOM 0 H ILE A 45 91.695 13.069 -2.000 1.00 0.00 H new ATOM 0 HA ILE A 45 89.422 13.517 -0.695 1.00 0.00 H new ATOM 0 HB ILE A 45 90.484 10.675 -0.885 1.00 0.00 H new ATOM 0 HG12 ILE A 45 91.292 11.784 -2.915 1.00 0.00 H new ATOM 0 HG13 ILE A 45 89.940 10.750 -3.330 1.00 0.00 H new ATOM 0 HG21 ILE A 45 88.166 10.245 -1.671 1.00 0.00 H new ATOM 0 HG22 ILE A 45 88.166 11.036 -0.077 1.00 0.00 H new ATOM 0 HG23 ILE A 45 87.802 11.983 -1.539 1.00 0.00 H new ATOM 0 HD11 ILE A 45 89.715 12.967 -4.421 1.00 0.00 H new ATOM 0 HD12 ILE A 45 88.398 12.713 -3.252 1.00 0.00 H new ATOM 0 HD13 ILE A 45 89.772 13.763 -2.830 1.00 0.00 H new ATOM 715 N PRO A 46 89.482 13.113 1.761 1.00 0.00 N ATOM 716 CA PRO A 46 89.485 12.904 3.236 1.00 0.00 C ATOM 717 C PRO A 46 88.976 11.514 3.621 1.00 0.00 C ATOM 718 O PRO A 46 88.008 11.016 3.045 1.00 0.00 O ATOM 719 CB PRO A 46 88.564 13.996 3.797 1.00 0.00 C ATOM 720 CG PRO A 46 88.068 14.804 2.636 1.00 0.00 C ATOM 721 CD PRO A 46 88.463 14.084 1.347 1.00 0.00 C ATOM 0 HA PRO A 46 90.496 12.966 3.639 1.00 0.00 H new ATOM 0 HB2 PRO A 46 87.730 13.553 4.340 1.00 0.00 H new ATOM 0 HB3 PRO A 46 89.104 14.628 4.502 1.00 0.00 H new ATOM 0 HG2 PRO A 46 86.986 14.921 2.689 1.00 0.00 H new ATOM 0 HG3 PRO A 46 88.498 15.805 2.659 1.00 0.00 H new ATOM 0 HD2 PRO A 46 87.606 13.589 0.891 1.00 0.00 H new ATOM 0 HD3 PRO A 46 88.858 14.782 0.608 1.00 0.00 H new ATOM 729 N PRO A 47 89.614 10.886 4.581 1.00 0.00 N ATOM 730 CA PRO A 47 89.229 9.527 5.057 1.00 0.00 C ATOM 731 C PRO A 47 87.735 9.426 5.363 1.00 0.00 C ATOM 732 O PRO A 47 87.116 8.387 5.141 1.00 0.00 O ATOM 733 CB PRO A 47 90.050 9.309 6.336 1.00 0.00 C ATOM 734 CG PRO A 47 90.863 10.547 6.564 1.00 0.00 C ATOM 735 CD PRO A 47 90.777 11.408 5.307 1.00 0.00 C ATOM 0 HA PRO A 47 89.426 8.774 4.294 1.00 0.00 H new ATOM 0 HB2 PRO A 47 89.394 9.119 7.185 1.00 0.00 H new ATOM 0 HB3 PRO A 47 90.698 8.438 6.233 1.00 0.00 H new ATOM 0 HG2 PRO A 47 90.487 11.096 7.428 1.00 0.00 H new ATOM 0 HG3 PRO A 47 91.900 10.288 6.778 1.00 0.00 H new ATOM 0 HD2 PRO A 47 90.649 12.461 5.556 1.00 0.00 H new ATOM 0 HD3 PRO A 47 91.685 11.330 4.710 1.00 0.00 H new ATOM 743 N ASP A 48 87.173 10.508 5.891 1.00 0.00 N ATOM 744 CA ASP A 48 85.756 10.538 6.246 1.00 0.00 C ATOM 745 C ASP A 48 84.869 10.476 5.003 1.00 0.00 C ATOM 746 O ASP A 48 83.815 9.839 5.018 1.00 0.00 O ATOM 747 CB ASP A 48 85.446 11.818 7.026 1.00 0.00 C ATOM 748 CG ASP A 48 86.533 12.075 8.068 1.00 0.00 C ATOM 749 OD1 ASP A 48 87.504 12.735 7.733 1.00 0.00 O ATOM 750 OD2 ASP A 48 86.381 11.605 9.183 1.00 0.00 O ATOM 0 H ASP A 48 87.675 11.375 6.083 1.00 0.00 H new ATOM 0 HA ASP A 48 85.545 9.664 6.862 1.00 0.00 H new ATOM 0 HB2 ASP A 48 85.381 12.663 6.341 1.00 0.00 H new ATOM 0 HB3 ASP A 48 84.476 11.729 7.515 1.00 0.00 H new ATOM 755 N GLN A 49 85.295 11.145 3.935 1.00 0.00 N ATOM 756 CA GLN A 49 84.522 11.165 2.695 1.00 0.00 C ATOM 757 C GLN A 49 84.611 9.827 1.963 1.00 0.00 C ATOM 758 O GLN A 49 83.885 9.596 0.998 1.00 0.00 O ATOM 759 CB GLN A 49 85.034 12.283 1.777 1.00 0.00 C ATOM 760 CG GLN A 49 83.952 12.652 0.752 1.00 0.00 C ATOM 761 CD GLN A 49 83.124 13.828 1.263 1.00 0.00 C ATOM 762 OE1 GLN A 49 82.268 13.654 2.130 1.00 0.00 O ATOM 763 NE2 GLN A 49 83.328 15.020 0.773 1.00 0.00 N ATOM 0 H GLN A 49 86.165 11.677 3.902 1.00 0.00 H new ATOM 0 HA GLN A 49 83.479 11.347 2.954 1.00 0.00 H new ATOM 0 HB2 GLN A 49 85.300 13.159 2.369 1.00 0.00 H new ATOM 0 HB3 GLN A 49 85.939 11.958 1.263 1.00 0.00 H new ATOM 0 HG2 GLN A 49 84.415 12.910 -0.200 1.00 0.00 H new ATOM 0 HG3 GLN A 49 83.305 11.794 0.570 1.00 0.00 H new ATOM 0 HE21 GLN A 49 84.038 15.161 0.055 1.00 0.00 H new ATOM 0 HE22 GLN A 49 82.777 15.810 1.108 1.00 0.00 H new ATOM 772 N GLN A 50 85.508 8.953 2.413 1.00 0.00 N ATOM 773 CA GLN A 50 85.671 7.653 1.765 1.00 0.00 C ATOM 774 C GLN A 50 85.607 6.507 2.773 1.00 0.00 C ATOM 775 O GLN A 50 85.512 6.724 3.982 1.00 0.00 O ATOM 776 CB GLN A 50 87.007 7.609 1.018 1.00 0.00 C ATOM 777 CG GLN A 50 88.166 7.787 2.006 1.00 0.00 C ATOM 778 CD GLN A 50 89.304 8.566 1.350 1.00 0.00 C ATOM 779 OE1 GLN A 50 90.083 9.224 2.039 1.00 0.00 O ATOM 780 NE2 GLN A 50 89.447 8.530 0.053 1.00 0.00 N ATOM 0 H GLN A 50 86.124 9.116 3.210 1.00 0.00 H new ATOM 0 HA GLN A 50 84.848 7.527 1.061 1.00 0.00 H new ATOM 0 HB2 GLN A 50 87.108 6.659 0.493 1.00 0.00 H new ATOM 0 HB3 GLN A 50 87.037 8.395 0.264 1.00 0.00 H new ATOM 0 HG2 GLN A 50 87.819 8.315 2.894 1.00 0.00 H new ATOM 0 HG3 GLN A 50 88.526 6.812 2.335 1.00 0.00 H new ATOM 0 HE21 GLN A 50 88.800 7.984 -0.516 1.00 0.00 H new ATOM 0 HE22 GLN A 50 90.205 9.048 -0.391 1.00 0.00 H new ATOM 789 N ARG A 51 85.666 5.286 2.250 1.00 0.00 N ATOM 790 CA ARG A 51 85.624 4.083 3.078 1.00 0.00 C ATOM 791 C ARG A 51 86.306 2.932 2.344 1.00 0.00 C ATOM 792 O ARG A 51 86.685 3.075 1.180 1.00 0.00 O ATOM 793 CB ARG A 51 84.173 3.712 3.412 1.00 0.00 C ATOM 794 CG ARG A 51 83.306 3.785 2.149 1.00 0.00 C ATOM 795 CD ARG A 51 82.254 4.888 2.304 1.00 0.00 C ATOM 796 NE ARG A 51 82.802 6.171 1.882 1.00 0.00 N ATOM 797 CZ ARG A 51 82.416 7.306 2.456 1.00 0.00 C ATOM 798 NH1 ARG A 51 82.864 7.623 3.639 1.00 0.00 N ATOM 799 NH2 ARG A 51 81.591 8.102 1.837 1.00 0.00 N ATOM 0 H ARG A 51 85.744 5.102 1.250 1.00 0.00 H new ATOM 0 HA ARG A 51 86.152 4.277 4.011 1.00 0.00 H new ATOM 0 HB2 ARG A 51 84.134 2.707 3.832 1.00 0.00 H new ATOM 0 HB3 ARG A 51 83.782 4.390 4.171 1.00 0.00 H new ATOM 0 HG2 ARG A 51 83.931 3.986 1.279 1.00 0.00 H new ATOM 0 HG3 ARG A 51 82.818 2.826 1.976 1.00 0.00 H new ATOM 0 HD2 ARG A 51 81.374 4.647 1.708 1.00 0.00 H new ATOM 0 HD3 ARG A 51 81.929 4.947 3.343 1.00 0.00 H new ATOM 0 HE ARG A 51 83.494 6.198 1.133 1.00 0.00 H new ATOM 0 HH11 ARG A 51 83.510 7.000 4.123 1.00 0.00 H new ATOM 0 HH12 ARG A 51 82.568 8.494 4.080 1.00 0.00 H new ATOM 0 HH21 ARG A 51 81.241 7.854 0.911 1.00 0.00 H new ATOM 0 HH22 ARG A 51 81.295 8.973 2.278 1.00 0.00 H new ATOM 813 N LEU A 52 86.471 1.799 3.022 1.00 0.00 N ATOM 814 CA LEU A 52 87.127 0.644 2.413 1.00 0.00 C ATOM 815 C LEU A 52 86.182 -0.554 2.348 1.00 0.00 C ATOM 816 O LEU A 52 85.779 -1.091 3.377 1.00 0.00 O ATOM 817 CB LEU A 52 88.368 0.259 3.233 1.00 0.00 C ATOM 818 CG LEU A 52 89.634 0.855 2.603 1.00 0.00 C ATOM 819 CD1 LEU A 52 89.828 0.299 1.188 1.00 0.00 C ATOM 820 CD2 LEU A 52 89.514 2.380 2.544 1.00 0.00 C ATOM 0 H LEU A 52 86.163 1.656 3.984 1.00 0.00 H new ATOM 0 HA LEU A 52 87.417 0.917 1.399 1.00 0.00 H new ATOM 0 HB2 LEU A 52 88.261 0.618 4.257 1.00 0.00 H new ATOM 0 HB3 LEU A 52 88.456 -0.826 3.283 1.00 0.00 H new ATOM 0 HG LEU A 52 90.495 0.583 3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 52 90.729 0.728 0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 52 89.927 -0.786 1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 52 88.966 0.559 0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 52 90.415 2.799 2.096 1.00 0.00 H new ATOM 0 HD22 LEU A 52 88.648 2.654 1.941 1.00 0.00 H new ATOM 0 HD23 LEU A 52 89.393 2.775 3.553 1.00 0.00 H new ATOM 832 N ILE A 53 85.847 -0.976 1.132 1.00 0.00 N ATOM 833 CA ILE A 53 84.965 -2.126 0.938 1.00 0.00 C ATOM 834 C ILE A 53 85.780 -3.288 0.372 1.00 0.00 C ATOM 835 O ILE A 53 86.314 -3.190 -0.734 1.00 0.00 O ATOM 836 CB ILE A 53 83.830 -1.762 -0.034 1.00 0.00 C ATOM 837 CG1 ILE A 53 82.752 -0.951 0.698 1.00 0.00 C ATOM 838 CG2 ILE A 53 83.198 -3.038 -0.600 1.00 0.00 C ATOM 839 CD1 ILE A 53 83.307 0.417 1.097 1.00 0.00 C ATOM 0 H ILE A 53 86.171 -0.541 0.268 1.00 0.00 H new ATOM 0 HA ILE A 53 84.527 -2.415 1.894 1.00 0.00 H new ATOM 0 HB ILE A 53 84.245 -1.167 -0.848 1.00 0.00 H new ATOM 0 HG12 ILE A 53 81.881 -0.826 0.055 1.00 0.00 H new ATOM 0 HG13 ILE A 53 82.419 -1.490 1.585 1.00 0.00 H new ATOM 0 HG21 ILE A 53 82.395 -2.772 -1.288 1.00 0.00 H new ATOM 0 HG22 ILE A 53 83.955 -3.614 -1.132 1.00 0.00 H new ATOM 0 HG23 ILE A 53 82.794 -3.637 0.216 1.00 0.00 H new ATOM 0 HD11 ILE A 53 82.535 0.986 1.616 1.00 0.00 H new ATOM 0 HD12 ILE A 53 84.164 0.283 1.757 1.00 0.00 H new ATOM 0 HD13 ILE A 53 83.617 0.958 0.203 1.00 0.00 H new ATOM 851 N TRP A 54 85.891 -4.378 1.131 1.00 0.00 N ATOM 852 CA TRP A 54 86.663 -5.532 0.677 1.00 0.00 C ATOM 853 C TRP A 54 85.904 -6.836 0.920 1.00 0.00 C ATOM 854 O TRP A 54 85.333 -7.045 1.990 1.00 0.00 O ATOM 855 CB TRP A 54 88.007 -5.575 1.414 1.00 0.00 C ATOM 856 CG TRP A 54 88.713 -6.858 1.108 1.00 0.00 C ATOM 857 CD1 TRP A 54 89.092 -7.775 2.029 1.00 0.00 C ATOM 858 CD2 TRP A 54 89.130 -7.383 -0.186 1.00 0.00 C ATOM 859 NE1 TRP A 54 89.712 -8.828 1.383 1.00 0.00 N ATOM 860 CE2 TRP A 54 89.760 -8.632 0.017 1.00 0.00 C ATOM 861 CE3 TRP A 54 89.024 -6.900 -1.503 1.00 0.00 C ATOM 862 CZ2 TRP A 54 90.267 -9.378 -1.048 1.00 0.00 C ATOM 863 CZ3 TRP A 54 89.532 -7.648 -2.577 1.00 0.00 C ATOM 864 CH2 TRP A 54 90.152 -8.885 -2.350 1.00 0.00 C ATOM 0 H TRP A 54 85.462 -4.485 2.050 1.00 0.00 H new ATOM 0 HA TRP A 54 86.831 -5.429 -0.395 1.00 0.00 H new ATOM 0 HB2 TRP A 54 88.624 -4.729 1.113 1.00 0.00 H new ATOM 0 HB3 TRP A 54 87.846 -5.485 2.488 1.00 0.00 H new ATOM 0 HD1 TRP A 54 88.935 -7.697 3.095 1.00 0.00 H new ATOM 0 HE1 TRP A 54 90.088 -9.649 1.857 1.00 0.00 H new ATOM 0 HE3 TRP A 54 88.549 -5.948 -1.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 90.745 -10.329 -0.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 89.445 -7.268 -3.584 1.00 0.00 H new ATOM 0 HH2 TRP A 54 90.540 -9.456 -3.181 1.00 0.00 H new ATOM 875 N ALA A 55 85.920 -7.710 -0.087 1.00 0.00 N ATOM 876 CA ALA A 55 85.248 -9.005 0.001 1.00 0.00 C ATOM 877 C ALA A 55 83.750 -8.838 0.257 1.00 0.00 C ATOM 878 O ALA A 55 83.202 -9.431 1.189 1.00 0.00 O ATOM 879 CB ALA A 55 85.877 -9.844 1.118 1.00 0.00 C ATOM 0 H ALA A 55 86.393 -7.543 -0.975 1.00 0.00 H new ATOM 0 HA ALA A 55 85.373 -9.516 -0.954 1.00 0.00 H new ATOM 0 HB1 ALA A 55 85.371 -10.808 1.178 1.00 0.00 H new ATOM 0 HB2 ALA A 55 86.934 -10.002 0.903 1.00 0.00 H new ATOM 0 HB3 ALA A 55 85.774 -9.320 2.068 1.00 0.00 H new ATOM 885 N GLY A 56 83.088 -8.046 -0.588 1.00 0.00 N ATOM 886 CA GLY A 56 81.648 -7.821 -0.462 1.00 0.00 C ATOM 887 C GLY A 56 81.256 -7.316 0.926 1.00 0.00 C ATOM 888 O GLY A 56 80.069 -7.224 1.241 1.00 0.00 O ATOM 0 H GLY A 56 83.525 -7.551 -1.365 1.00 0.00 H new ATOM 0 HA2 GLY A 56 81.329 -7.097 -1.212 1.00 0.00 H new ATOM 0 HA3 GLY A 56 81.118 -8.751 -0.670 1.00 0.00 H new ATOM 892 N LYS A 57 82.249 -7.000 1.754 1.00 0.00 N ATOM 893 CA LYS A 57 81.979 -6.518 3.106 1.00 0.00 C ATOM 894 C LYS A 57 82.654 -5.173 3.347 1.00 0.00 C ATOM 895 O LYS A 57 83.839 -4.999 3.054 1.00 0.00 O ATOM 896 CB LYS A 57 82.488 -7.533 4.134 1.00 0.00 C ATOM 897 CG LYS A 57 81.667 -8.825 4.039 1.00 0.00 C ATOM 898 CD LYS A 57 80.459 -8.736 4.977 1.00 0.00 C ATOM 899 CE LYS A 57 79.612 -10.004 4.844 1.00 0.00 C ATOM 900 NZ LYS A 57 78.888 -9.984 3.542 1.00 0.00 N ATOM 0 H LYS A 57 83.238 -7.068 1.516 1.00 0.00 H new ATOM 0 HA LYS A 57 80.901 -6.394 3.214 1.00 0.00 H new ATOM 0 HB2 LYS A 57 83.542 -7.747 3.956 1.00 0.00 H new ATOM 0 HB3 LYS A 57 82.412 -7.116 5.138 1.00 0.00 H new ATOM 0 HG2 LYS A 57 81.333 -8.981 3.013 1.00 0.00 H new ATOM 0 HG3 LYS A 57 82.286 -9.682 4.307 1.00 0.00 H new ATOM 0 HD2 LYS A 57 80.794 -8.616 6.007 1.00 0.00 H new ATOM 0 HD3 LYS A 57 79.860 -7.859 4.733 1.00 0.00 H new ATOM 0 HE2 LYS A 57 80.248 -10.887 4.905 1.00 0.00 H new ATOM 0 HE3 LYS A 57 78.900 -10.067 5.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 78.142 -10.709 3.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 78.460 -9.047 3.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 79.556 -10.182 2.770 1.00 0.00 H new ATOM 914 N GLN A 58 81.894 -4.228 3.893 1.00 0.00 N ATOM 915 CA GLN A 58 82.427 -2.905 4.183 1.00 0.00 C ATOM 916 C GLN A 58 83.378 -2.977 5.372 1.00 0.00 C ATOM 917 O GLN A 58 83.038 -3.532 6.417 1.00 0.00 O ATOM 918 CB GLN A 58 81.284 -1.932 4.493 1.00 0.00 C ATOM 919 CG GLN A 58 81.846 -0.516 4.655 1.00 0.00 C ATOM 920 CD GLN A 58 80.706 0.494 4.729 1.00 0.00 C ATOM 921 OE1 GLN A 58 80.179 0.759 5.810 1.00 0.00 O ATOM 922 NE2 GLN A 58 80.291 1.076 3.638 1.00 0.00 N ATOM 0 H GLN A 58 80.913 -4.355 4.142 1.00 0.00 H new ATOM 0 HA GLN A 58 82.971 -2.546 3.309 1.00 0.00 H new ATOM 0 HB2 GLN A 58 80.547 -1.952 3.690 1.00 0.00 H new ATOM 0 HB3 GLN A 58 80.770 -2.237 5.405 1.00 0.00 H new ATOM 0 HG2 GLN A 58 82.453 -0.458 5.559 1.00 0.00 H new ATOM 0 HG3 GLN A 58 82.500 -0.278 3.816 1.00 0.00 H new ATOM 0 HE21 GLN A 58 80.729 0.855 2.744 1.00 0.00 H new ATOM 0 HE22 GLN A 58 79.528 1.752 3.679 1.00 0.00 H new ATOM 931 N LEU A 59 84.572 -2.419 5.202 1.00 0.00 N ATOM 932 CA LEU A 59 85.570 -2.433 6.271 1.00 0.00 C ATOM 933 C LEU A 59 85.374 -1.246 7.208 1.00 0.00 C ATOM 934 O LEU A 59 84.915 -0.182 6.790 1.00 0.00 O ATOM 935 CB LEU A 59 86.985 -2.389 5.678 1.00 0.00 C ATOM 936 CG LEU A 59 87.162 -3.530 4.668 1.00 0.00 C ATOM 937 CD1 LEU A 59 88.487 -3.352 3.917 1.00 0.00 C ATOM 938 CD2 LEU A 59 87.171 -4.872 5.407 1.00 0.00 C ATOM 0 H LEU A 59 84.872 -1.955 4.345 1.00 0.00 H new ATOM 0 HA LEU A 59 85.445 -3.355 6.839 1.00 0.00 H new ATOM 0 HB2 LEU A 59 87.155 -1.429 5.190 1.00 0.00 H new ATOM 0 HB3 LEU A 59 87.725 -2.477 6.473 1.00 0.00 H new ATOM 0 HG LEU A 59 86.337 -3.512 3.956 1.00 0.00 H new ATOM 0 HD11 LEU A 59 88.611 -4.164 3.200 1.00 0.00 H new ATOM 0 HD12 LEU A 59 88.480 -2.399 3.388 1.00 0.00 H new ATOM 0 HD13 LEU A 59 89.313 -3.367 4.628 1.00 0.00 H new ATOM 0 HD21 LEU A 59 87.297 -5.682 4.689 1.00 0.00 H new ATOM 0 HD22 LEU A 59 87.995 -4.889 6.121 1.00 0.00 H new ATOM 0 HD23 LEU A 59 86.228 -5.001 5.938 1.00 0.00 H new ATOM 950 N GLU A 60 85.727 -1.440 8.477 1.00 0.00 N ATOM 951 CA GLU A 60 85.589 -0.383 9.477 1.00 0.00 C ATOM 952 C GLU A 60 86.944 0.242 9.794 1.00 0.00 C ATOM 953 O GLU A 60 87.978 -0.419 9.720 1.00 0.00 O ATOM 954 CB GLU A 60 84.972 -0.951 10.761 1.00 0.00 C ATOM 955 CG GLU A 60 85.633 -2.289 11.114 1.00 0.00 C ATOM 956 CD GLU A 60 85.657 -2.480 12.628 1.00 0.00 C ATOM 957 OE1 GLU A 60 84.605 -2.732 13.192 1.00 0.00 O ATOM 958 OE2 GLU A 60 86.729 -2.373 13.201 1.00 0.00 O ATOM 0 H GLU A 60 86.109 -2.315 8.836 1.00 0.00 H new ATOM 0 HA GLU A 60 84.935 0.388 9.070 1.00 0.00 H new ATOM 0 HB2 GLU A 60 85.103 -0.244 11.580 1.00 0.00 H new ATOM 0 HB3 GLU A 60 83.899 -1.090 10.628 1.00 0.00 H new ATOM 0 HG2 GLU A 60 85.087 -3.108 10.645 1.00 0.00 H new ATOM 0 HG3 GLU A 60 86.649 -2.316 10.720 1.00 0.00 H new ATOM 965 N ASP A 61 86.927 1.527 10.133 1.00 0.00 N ATOM 966 CA ASP A 61 88.154 2.256 10.454 1.00 0.00 C ATOM 967 C ASP A 61 88.987 1.520 11.508 1.00 0.00 C ATOM 968 O ASP A 61 90.177 1.796 11.666 1.00 0.00 O ATOM 969 CB ASP A 61 87.802 3.653 10.972 1.00 0.00 C ATOM 970 CG ASP A 61 86.895 3.545 12.195 1.00 0.00 C ATOM 971 OD1 ASP A 61 85.700 3.381 12.009 1.00 0.00 O ATOM 972 OD2 ASP A 61 87.408 3.626 13.298 1.00 0.00 O ATOM 0 H ASP A 61 86.077 2.088 10.193 1.00 0.00 H new ATOM 0 HA ASP A 61 88.747 2.331 9.542 1.00 0.00 H new ATOM 0 HB2 ASP A 61 88.712 4.193 11.231 1.00 0.00 H new ATOM 0 HB3 ASP A 61 87.304 4.225 10.189 1.00 0.00 H new ATOM 977 N GLY A 62 88.355 0.597 12.234 1.00 0.00 N ATOM 978 CA GLY A 62 89.049 -0.156 13.279 1.00 0.00 C ATOM 979 C GLY A 62 89.671 -1.445 12.741 1.00 0.00 C ATOM 980 O GLY A 62 90.407 -2.126 13.457 1.00 0.00 O ATOM 0 H GLY A 62 87.371 0.354 12.119 1.00 0.00 H new ATOM 0 HA2 GLY A 62 89.829 0.467 13.717 1.00 0.00 H new ATOM 0 HA3 GLY A 62 88.348 -0.398 14.078 1.00 0.00 H new ATOM 984 N ARG A 63 89.381 -1.778 11.484 1.00 0.00 N ATOM 985 CA ARG A 63 89.930 -2.993 10.880 1.00 0.00 C ATOM 986 C ARG A 63 91.433 -2.842 10.650 1.00 0.00 C ATOM 987 O ARG A 63 91.939 -1.727 10.516 1.00 0.00 O ATOM 988 CB ARG A 63 89.229 -3.286 9.547 1.00 0.00 C ATOM 989 CG ARG A 63 88.550 -4.659 9.607 1.00 0.00 C ATOM 990 CD ARG A 63 89.575 -5.758 9.308 1.00 0.00 C ATOM 991 NE ARG A 63 89.591 -6.742 10.386 1.00 0.00 N ATOM 992 CZ ARG A 63 88.568 -7.572 10.580 1.00 0.00 C ATOM 993 NH1 ARG A 63 87.796 -7.906 9.582 1.00 0.00 N ATOM 994 NH2 ARG A 63 88.341 -8.056 11.770 1.00 0.00 N ATOM 0 H ARG A 63 88.777 -1.232 10.870 1.00 0.00 H new ATOM 0 HA ARG A 63 89.759 -3.825 11.564 1.00 0.00 H new ATOM 0 HB2 ARG A 63 88.489 -2.513 9.337 1.00 0.00 H new ATOM 0 HB3 ARG A 63 89.953 -3.264 8.732 1.00 0.00 H new ATOM 0 HG2 ARG A 63 88.112 -4.816 10.593 1.00 0.00 H new ATOM 0 HG3 ARG A 63 87.734 -4.703 8.885 1.00 0.00 H new ATOM 0 HD2 ARG A 63 89.330 -6.246 8.365 1.00 0.00 H new ATOM 0 HD3 ARG A 63 90.566 -5.319 9.192 1.00 0.00 H new ATOM 0 HE ARG A 63 90.402 -6.795 11.003 1.00 0.00 H new ATOM 0 HH11 ARG A 63 87.976 -7.531 8.651 1.00 0.00 H new ATOM 0 HH12 ARG A 63 87.013 -8.542 9.733 1.00 0.00 H new ATOM 0 HH21 ARG A 63 88.947 -7.798 12.549 1.00 0.00 H new ATOM 0 HH22 ARG A 63 87.558 -8.692 11.921 1.00 0.00 H new ATOM 1008 N THR A 64 92.139 -3.972 10.612 1.00 0.00 N ATOM 1009 CA THR A 64 93.587 -3.958 10.405 1.00 0.00 C ATOM 1010 C THR A 64 93.957 -4.651 9.096 1.00 0.00 C ATOM 1011 O THR A 64 93.141 -5.354 8.498 1.00 0.00 O ATOM 1012 CB THR A 64 94.292 -4.658 11.573 1.00 0.00 C ATOM 1013 OG1 THR A 64 93.569 -5.827 11.932 1.00 0.00 O ATOM 1014 CG2 THR A 64 94.365 -3.711 12.773 1.00 0.00 C ATOM 0 H THR A 64 91.735 -4.902 10.721 1.00 0.00 H new ATOM 0 HA THR A 64 93.912 -2.919 10.353 1.00 0.00 H new ATOM 0 HB THR A 64 95.302 -4.935 11.271 1.00 0.00 H new ATOM 0 HG1 THR A 64 94.021 -6.275 12.677 1.00 0.00 H new ATOM 0 HG21 THR A 64 94.867 -4.211 13.601 1.00 0.00 H new ATOM 0 HG22 THR A 64 94.924 -2.817 12.497 1.00 0.00 H new ATOM 0 HG23 THR A 64 93.357 -3.429 13.076 1.00 0.00 H new ATOM 1022 N LEU A 65 95.196 -4.439 8.662 1.00 0.00 N ATOM 1023 CA LEU A 65 95.689 -5.035 7.423 1.00 0.00 C ATOM 1024 C LEU A 65 96.125 -6.480 7.664 1.00 0.00 C ATOM 1025 O LEU A 65 95.897 -7.356 6.830 1.00 0.00 O ATOM 1026 CB LEU A 65 96.871 -4.204 6.888 1.00 0.00 C ATOM 1027 CG LEU A 65 96.365 -3.049 6.004 1.00 0.00 C ATOM 1028 CD1 LEU A 65 97.515 -2.505 5.153 1.00 0.00 C ATOM 1029 CD2 LEU A 65 95.246 -3.531 5.072 1.00 0.00 C ATOM 0 H LEU A 65 95.878 -3.858 9.150 1.00 0.00 H new ATOM 0 HA LEU A 65 94.887 -5.037 6.684 1.00 0.00 H new ATOM 0 HB2 LEU A 65 97.449 -3.805 7.722 1.00 0.00 H new ATOM 0 HB3 LEU A 65 97.541 -4.843 6.313 1.00 0.00 H new ATOM 0 HG LEU A 65 95.978 -2.266 6.656 1.00 0.00 H new ATOM 0 HD11 LEU A 65 97.151 -1.688 4.530 1.00 0.00 H new ATOM 0 HD12 LEU A 65 98.308 -2.139 5.805 1.00 0.00 H new ATOM 0 HD13 LEU A 65 97.905 -3.300 4.518 1.00 0.00 H new ATOM 0 HD21 LEU A 65 94.902 -2.700 4.456 1.00 0.00 H new ATOM 0 HD22 LEU A 65 95.625 -4.326 4.430 1.00 0.00 H new ATOM 0 HD23 LEU A 65 94.415 -3.910 5.667 1.00 0.00 H new ATOM 1041 N SER A 66 96.759 -6.710 8.809 1.00 0.00 N ATOM 1042 CA SER A 66 97.240 -8.044 9.166 1.00 0.00 C ATOM 1043 C SER A 66 96.085 -8.964 9.552 1.00 0.00 C ATOM 1044 O SER A 66 96.271 -10.174 9.692 1.00 0.00 O ATOM 1045 CB SER A 66 98.224 -7.946 10.334 1.00 0.00 C ATOM 1046 OG SER A 66 97.587 -7.305 11.431 1.00 0.00 O ATOM 0 H SER A 66 96.953 -5.992 9.507 1.00 0.00 H new ATOM 0 HA SER A 66 97.740 -8.466 8.294 1.00 0.00 H new ATOM 0 HB2 SER A 66 98.561 -8.941 10.625 1.00 0.00 H new ATOM 0 HB3 SER A 66 99.109 -7.385 10.033 1.00 0.00 H new ATOM 0 HG SER A 66 98.237 -6.744 11.904 1.00 0.00 H new ATOM 1052 N ASP A 67 94.894 -8.390 9.719 1.00 0.00 N ATOM 1053 CA ASP A 67 93.724 -9.183 10.084 1.00 0.00 C ATOM 1054 C ASP A 67 93.529 -10.312 9.075 1.00 0.00 C ATOM 1055 O ASP A 67 93.596 -11.491 9.425 1.00 0.00 O ATOM 1056 CB ASP A 67 92.476 -8.292 10.118 1.00 0.00 C ATOM 1057 CG ASP A 67 91.212 -9.142 9.994 1.00 0.00 C ATOM 1058 OD1 ASP A 67 90.828 -9.745 10.983 1.00 0.00 O ATOM 1059 OD2 ASP A 67 90.647 -9.175 8.912 1.00 0.00 O ATOM 0 H ASP A 67 94.716 -7.392 9.609 1.00 0.00 H new ATOM 0 HA ASP A 67 93.880 -9.611 11.074 1.00 0.00 H new ATOM 0 HB2 ASP A 67 92.451 -7.725 11.049 1.00 0.00 H new ATOM 0 HB3 ASP A 67 92.516 -7.568 9.305 1.00 0.00 H new ATOM 1064 N TYR A 68 93.297 -9.934 7.823 1.00 0.00 N ATOM 1065 CA TYR A 68 93.102 -10.911 6.759 1.00 0.00 C ATOM 1066 C TYR A 68 94.444 -11.307 6.147 1.00 0.00 C ATOM 1067 O TYR A 68 94.494 -12.066 5.179 1.00 0.00 O ATOM 1068 CB TYR A 68 92.188 -10.329 5.674 1.00 0.00 C ATOM 1069 CG TYR A 68 91.035 -11.274 5.427 1.00 0.00 C ATOM 1070 CD1 TYR A 68 91.199 -12.367 4.566 1.00 0.00 C ATOM 1071 CD2 TYR A 68 89.806 -11.062 6.061 1.00 0.00 C ATOM 1072 CE1 TYR A 68 90.133 -13.245 4.339 1.00 0.00 C ATOM 1073 CE2 TYR A 68 88.741 -11.940 5.835 1.00 0.00 C ATOM 1074 CZ TYR A 68 88.903 -13.031 4.973 1.00 0.00 C ATOM 1075 OH TYR A 68 87.853 -13.898 4.750 1.00 0.00 O ATOM 0 H TYR A 68 93.240 -8.961 7.521 1.00 0.00 H new ATOM 0 HA TYR A 68 92.634 -11.799 7.184 1.00 0.00 H new ATOM 0 HB2 TYR A 68 91.813 -9.354 5.984 1.00 0.00 H new ATOM 0 HB3 TYR A 68 92.751 -10.176 4.753 1.00 0.00 H new ATOM 0 HD1 TYR A 68 92.148 -12.532 4.077 1.00 0.00 H new ATOM 0 HD2 TYR A 68 89.680 -10.220 6.725 1.00 0.00 H new ATOM 0 HE1 TYR A 68 90.259 -14.087 3.675 1.00 0.00 H new ATOM 0 HE2 TYR A 68 87.793 -11.776 6.326 1.00 0.00 H new ATOM 0 HH TYR A 68 87.073 -13.607 5.267 1.00 0.00 H new ATOM 1085 N ASN A 69 95.527 -10.773 6.715 1.00 0.00 N ATOM 1086 CA ASN A 69 96.873 -11.057 6.221 1.00 0.00 C ATOM 1087 C ASN A 69 97.094 -10.360 4.880 1.00 0.00 C ATOM 1088 O ASN A 69 97.861 -10.827 4.035 1.00 0.00 O ATOM 1089 CB ASN A 69 97.087 -12.571 6.081 1.00 0.00 C ATOM 1090 CG ASN A 69 98.280 -13.009 6.927 1.00 0.00 C ATOM 1091 OD1 ASN A 69 98.200 -13.023 8.155 1.00 0.00 O ATOM 1092 ND2 ASN A 69 99.388 -13.368 6.339 1.00 0.00 N ATOM 0 H ASN A 69 95.497 -10.143 7.516 1.00 0.00 H new ATOM 0 HA ASN A 69 97.598 -10.675 6.940 1.00 0.00 H new ATOM 0 HB2 ASN A 69 96.191 -13.104 6.398 1.00 0.00 H new ATOM 0 HB3 ASN A 69 97.258 -12.828 5.036 1.00 0.00 H new ATOM 0 HD21 ASN A 69 100.190 -13.661 6.897 1.00 0.00 H new ATOM 0 HD22 ASN A 69 99.452 -13.356 5.321 1.00 0.00 H new ATOM 1099 N ILE A 70 96.407 -9.234 4.704 1.00 0.00 N ATOM 1100 CA ILE A 70 96.515 -8.452 3.474 1.00 0.00 C ATOM 1101 C ILE A 70 97.976 -8.098 3.199 1.00 0.00 C ATOM 1102 O ILE A 70 98.572 -7.280 3.903 1.00 0.00 O ATOM 1103 CB ILE A 70 95.675 -7.176 3.593 1.00 0.00 C ATOM 1104 CG1 ILE A 70 94.202 -7.557 3.793 1.00 0.00 C ATOM 1105 CG2 ILE A 70 95.817 -6.343 2.314 1.00 0.00 C ATOM 1106 CD1 ILE A 70 93.406 -6.331 4.250 1.00 0.00 C ATOM 0 H ILE A 70 95.769 -8.842 5.397 1.00 0.00 H new ATOM 0 HA ILE A 70 96.139 -9.048 2.642 1.00 0.00 H new ATOM 0 HB ILE A 70 96.022 -6.591 4.444 1.00 0.00 H new ATOM 0 HG12 ILE A 70 93.788 -7.945 2.862 1.00 0.00 H new ATOM 0 HG13 ILE A 70 94.120 -8.352 4.534 1.00 0.00 H new ATOM 0 HG21 ILE A 70 95.218 -5.436 2.402 1.00 0.00 H new ATOM 0 HG22 ILE A 70 96.863 -6.074 2.169 1.00 0.00 H new ATOM 0 HG23 ILE A 70 95.470 -6.925 1.460 1.00 0.00 H new ATOM 0 HD11 ILE A 70 92.361 -6.607 4.390 1.00 0.00 H new ATOM 0 HD12 ILE A 70 93.814 -5.963 5.191 1.00 0.00 H new ATOM 0 HD13 ILE A 70 93.476 -5.549 3.494 1.00 0.00 H new ATOM 1118 N GLN A 71 98.546 -8.732 2.176 1.00 0.00 N ATOM 1119 CA GLN A 71 99.940 -8.498 1.811 1.00 0.00 C ATOM 1120 C GLN A 71 100.096 -7.174 1.063 1.00 0.00 C ATOM 1121 O GLN A 71 99.270 -6.270 1.202 1.00 0.00 O ATOM 1122 CB GLN A 71 100.446 -9.653 0.938 1.00 0.00 C ATOM 1123 CG GLN A 71 101.901 -9.971 1.294 1.00 0.00 C ATOM 1124 CD GLN A 71 102.568 -10.733 0.153 1.00 0.00 C ATOM 1125 OE1 GLN A 71 103.111 -11.818 0.364 1.00 0.00 O ATOM 1126 NE2 GLN A 71 102.561 -10.228 -1.051 1.00 0.00 N ATOM 0 H GLN A 71 98.064 -9.411 1.586 1.00 0.00 H new ATOM 0 HA GLN A 71 100.531 -8.445 2.725 1.00 0.00 H new ATOM 0 HB2 GLN A 71 99.824 -10.535 1.089 1.00 0.00 H new ATOM 0 HB3 GLN A 71 100.370 -9.385 -0.116 1.00 0.00 H new ATOM 0 HG2 GLN A 71 102.445 -9.047 1.491 1.00 0.00 H new ATOM 0 HG3 GLN A 71 101.938 -10.564 2.208 1.00 0.00 H new ATOM 0 HE21 GLN A 71 102.111 -9.329 -1.224 1.00 0.00 H new ATOM 0 HE22 GLN A 71 103.006 -10.732 -1.818 1.00 0.00 H new ATOM 1135 N ARG A 72 101.160 -7.070 0.271 1.00 0.00 N ATOM 1136 CA ARG A 72 101.421 -5.855 -0.496 1.00 0.00 C ATOM 1137 C ARG A 72 100.730 -5.917 -1.856 1.00 0.00 C ATOM 1138 O ARG A 72 100.106 -4.948 -2.285 1.00 0.00 O ATOM 1139 CB ARG A 72 102.928 -5.657 -0.690 1.00 0.00 C ATOM 1140 CG ARG A 72 103.591 -6.976 -1.109 1.00 0.00 C ATOM 1141 CD ARG A 72 104.492 -7.483 0.019 1.00 0.00 C ATOM 1142 NE ARG A 72 105.121 -8.743 -0.364 1.00 0.00 N ATOM 1143 CZ ARG A 72 106.197 -8.765 -1.143 1.00 0.00 C ATOM 1144 NH1 ARG A 72 106.069 -8.652 -2.437 1.00 0.00 N ATOM 1145 NH2 ARG A 72 107.383 -8.899 -0.616 1.00 0.00 N ATOM 0 H ARG A 72 101.852 -7.808 0.144 1.00 0.00 H new ATOM 0 HA ARG A 72 101.021 -5.010 0.064 1.00 0.00 H new ATOM 0 HB2 ARG A 72 103.106 -4.896 -1.449 1.00 0.00 H new ATOM 0 HB3 ARG A 72 103.376 -5.295 0.236 1.00 0.00 H new ATOM 0 HG2 ARG A 72 102.828 -7.720 -1.340 1.00 0.00 H new ATOM 0 HG3 ARG A 72 104.177 -6.827 -2.016 1.00 0.00 H new ATOM 0 HD2 ARG A 72 105.257 -6.740 0.244 1.00 0.00 H new ATOM 0 HD3 ARG A 72 103.906 -7.622 0.927 1.00 0.00 H new ATOM 0 HE ARG A 72 104.728 -9.622 -0.028 1.00 0.00 H new ATOM 0 HH11 ARG A 72 105.143 -8.547 -2.851 1.00 0.00 H new ATOM 0 HH12 ARG A 72 106.895 -8.669 -3.035 1.00 0.00 H new ATOM 0 HH21 ARG A 72 107.485 -8.987 0.395 1.00 0.00 H new ATOM 0 HH22 ARG A 72 108.208 -8.916 -1.215 1.00 0.00 H new ATOM 1159 N GLU A 73 100.839 -7.060 -2.527 1.00 0.00 N ATOM 1160 CA GLU A 73 100.214 -7.232 -3.834 1.00 0.00 C ATOM 1161 C GLU A 73 98.723 -7.517 -3.667 1.00 0.00 C ATOM 1162 O GLU A 73 98.188 -8.463 -4.248 1.00 0.00 O ATOM 1163 CB GLU A 73 100.887 -8.383 -4.590 1.00 0.00 C ATOM 1164 CG GLU A 73 102.313 -7.979 -4.979 1.00 0.00 C ATOM 1165 CD GLU A 73 102.277 -6.876 -6.036 1.00 0.00 C ATOM 1166 OE1 GLU A 73 102.054 -7.198 -7.191 1.00 0.00 O ATOM 1167 OE2 GLU A 73 102.471 -5.728 -5.672 1.00 0.00 O ATOM 0 H GLU A 73 101.351 -7.876 -2.190 1.00 0.00 H new ATOM 0 HA GLU A 73 100.336 -6.313 -4.408 1.00 0.00 H new ATOM 0 HB2 GLU A 73 100.909 -9.277 -3.967 1.00 0.00 H new ATOM 0 HB3 GLU A 73 100.312 -8.630 -5.482 1.00 0.00 H new ATOM 0 HG2 GLU A 73 102.854 -7.632 -4.099 1.00 0.00 H new ATOM 0 HG3 GLU A 73 102.852 -8.845 -5.364 1.00 0.00 H new ATOM 1174 N SER A 74 98.063 -6.688 -2.861 1.00 0.00 N ATOM 1175 CA SER A 74 96.638 -6.846 -2.606 1.00 0.00 C ATOM 1176 C SER A 74 95.833 -5.777 -3.338 1.00 0.00 C ATOM 1177 O SER A 74 96.177 -4.591 -3.304 1.00 0.00 O ATOM 1178 CB SER A 74 96.368 -6.746 -1.102 1.00 0.00 C ATOM 1179 OG SER A 74 96.974 -5.565 -0.593 1.00 0.00 O ATOM 0 H SER A 74 98.494 -5.902 -2.375 1.00 0.00 H new ATOM 0 HA SER A 74 96.331 -7.825 -2.972 1.00 0.00 H new ATOM 0 HB2 SER A 74 95.294 -6.728 -0.914 1.00 0.00 H new ATOM 0 HB3 SER A 74 96.766 -7.622 -0.590 1.00 0.00 H new ATOM 0 HG SER A 74 97.731 -5.807 -0.020 1.00 0.00 H new ATOM 1185 N THR A 75 94.755 -6.208 -3.990 1.00 0.00 N ATOM 1186 CA THR A 75 93.890 -5.289 -4.721 1.00 0.00 C ATOM 1187 C THR A 75 92.792 -4.772 -3.799 1.00 0.00 C ATOM 1188 O THR A 75 91.756 -5.417 -3.623 1.00 0.00 O ATOM 1189 CB THR A 75 93.267 -5.999 -5.930 1.00 0.00 C ATOM 1190 OG1 THR A 75 94.294 -6.618 -6.692 1.00 0.00 O ATOM 1191 CG2 THR A 75 92.527 -4.981 -6.801 1.00 0.00 C ATOM 0 H THR A 75 94.462 -7.184 -4.026 1.00 0.00 H new ATOM 0 HA THR A 75 94.485 -4.448 -5.076 1.00 0.00 H new ATOM 0 HB THR A 75 92.562 -6.755 -5.583 1.00 0.00 H new ATOM 0 HG1 THR A 75 93.899 -7.074 -7.464 1.00 0.00 H new ATOM 0 HG21 THR A 75 92.086 -5.489 -7.659 1.00 0.00 H new ATOM 0 HG22 THR A 75 91.740 -4.506 -6.216 1.00 0.00 H new ATOM 0 HG23 THR A 75 93.228 -4.223 -7.149 1.00 0.00 H new ATOM 1199 N LEU A 76 93.033 -3.608 -3.206 1.00 0.00 N ATOM 1200 CA LEU A 76 92.068 -3.005 -2.295 1.00 0.00 C ATOM 1201 C LEU A 76 91.057 -2.168 -3.066 1.00 0.00 C ATOM 1202 O LEU A 76 91.414 -1.453 -4.002 1.00 0.00 O ATOM 1203 CB LEU A 76 92.796 -2.113 -1.279 1.00 0.00 C ATOM 1204 CG LEU A 76 93.119 -2.905 -0.003 1.00 0.00 C ATOM 1205 CD1 LEU A 76 91.832 -3.179 0.783 1.00 0.00 C ATOM 1206 CD2 LEU A 76 93.790 -4.234 -0.373 1.00 0.00 C ATOM 0 H LEU A 76 93.886 -3.065 -3.339 1.00 0.00 H new ATOM 0 HA LEU A 76 91.542 -3.804 -1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 76 93.716 -1.728 -1.718 1.00 0.00 H new ATOM 0 HB3 LEU A 76 92.176 -1.251 -1.032 1.00 0.00 H new ATOM 0 HG LEU A 76 93.798 -2.318 0.616 1.00 0.00 H new ATOM 0 HD11 LEU A 76 92.070 -3.741 1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 76 91.364 -2.233 1.057 1.00 0.00 H new ATOM 0 HD13 LEU A 76 91.145 -3.758 0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 76 94.017 -4.792 0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 76 93.117 -4.819 -1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 76 94.713 -4.036 -0.918 1.00 0.00 H new ATOM 1218 N HIS A 77 89.796 -2.251 -2.658 1.00 0.00 N ATOM 1219 CA HIS A 77 88.740 -1.483 -3.303 1.00 0.00 C ATOM 1220 C HIS A 77 88.317 -0.339 -2.391 1.00 0.00 C ATOM 1221 O HIS A 77 87.799 -0.568 -1.296 1.00 0.00 O ATOM 1222 CB HIS A 77 87.537 -2.379 -3.613 1.00 0.00 C ATOM 1223 CG HIS A 77 86.923 -1.955 -4.919 1.00 0.00 C ATOM 1224 ND1 HIS A 77 87.228 -2.580 -6.117 1.00 0.00 N ATOM 1225 CD2 HIS A 77 86.026 -0.963 -5.232 1.00 0.00 C ATOM 1226 CE1 HIS A 77 86.527 -1.965 -7.086 1.00 0.00 C ATOM 1227 NE2 HIS A 77 85.778 -0.971 -6.602 1.00 0.00 N ATOM 0 H HIS A 77 89.482 -2.840 -1.887 1.00 0.00 H new ATOM 0 HA HIS A 77 89.118 -1.079 -4.242 1.00 0.00 H new ATOM 0 HB2 HIS A 77 87.850 -3.422 -3.667 1.00 0.00 H new ATOM 0 HB3 HIS A 77 86.801 -2.308 -2.812 1.00 0.00 H new ATOM 0 HD1 HIS A 77 87.868 -3.364 -6.242 1.00 0.00 H new ATOM 0 HD2 HIS A 77 85.581 -0.281 -4.523 1.00 0.00 H new ATOM 0 HE1 HIS A 77 86.565 -2.242 -8.129 1.00 0.00 H new ATOM 1235 N LEU A 78 88.549 0.889 -2.841 1.00 0.00 N ATOM 1236 CA LEU A 78 88.201 2.065 -2.053 1.00 0.00 C ATOM 1237 C LEU A 78 86.929 2.715 -2.593 1.00 0.00 C ATOM 1238 O LEU A 78 86.783 2.907 -3.799 1.00 0.00 O ATOM 1239 CB LEU A 78 89.356 3.070 -2.106 1.00 0.00 C ATOM 1240 CG LEU A 78 89.195 4.112 -0.993 1.00 0.00 C ATOM 1241 CD1 LEU A 78 90.420 4.080 -0.074 1.00 0.00 C ATOM 1242 CD2 LEU A 78 89.064 5.504 -1.614 1.00 0.00 C ATOM 0 H LEU A 78 88.975 1.096 -3.744 1.00 0.00 H new ATOM 0 HA LEU A 78 88.024 1.760 -1.022 1.00 0.00 H new ATOM 0 HB2 LEU A 78 90.307 2.550 -1.994 1.00 0.00 H new ATOM 0 HB3 LEU A 78 89.375 3.564 -3.078 1.00 0.00 H new ATOM 0 HG LEU A 78 88.301 3.884 -0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 78 90.302 4.822 0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 78 90.516 3.089 0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 78 91.315 4.306 -0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 78 88.949 6.246 -0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 78 89.958 5.729 -2.196 1.00 0.00 H new ATOM 0 HD23 LEU A 78 88.191 5.531 -2.266 1.00 0.00 H new ATOM 1254 N VAL A 79 86.010 3.049 -1.691 1.00 0.00 N ATOM 1255 CA VAL A 79 84.755 3.679 -2.087 1.00 0.00 C ATOM 1256 C VAL A 79 84.830 5.189 -1.861 1.00 0.00 C ATOM 1257 O VAL A 79 85.265 5.645 -0.803 1.00 0.00 O ATOM 1258 CB VAL A 79 83.597 3.071 -1.281 1.00 0.00 C ATOM 1259 CG1 VAL A 79 82.458 4.086 -1.146 1.00 0.00 C ATOM 1260 CG2 VAL A 79 83.075 1.824 -2.004 1.00 0.00 C ATOM 0 H VAL A 79 86.110 2.895 -0.688 1.00 0.00 H new ATOM 0 HA VAL A 79 84.580 3.499 -3.148 1.00 0.00 H new ATOM 0 HB VAL A 79 83.958 2.803 -0.288 1.00 0.00 H new ATOM 0 HG11 VAL A 79 81.643 3.644 -0.573 1.00 0.00 H new ATOM 0 HG12 VAL A 79 82.822 4.975 -0.632 1.00 0.00 H new ATOM 0 HG13 VAL A 79 82.097 4.362 -2.137 1.00 0.00 H new ATOM 0 HG21 VAL A 79 82.253 1.390 -1.434 1.00 0.00 H new ATOM 0 HG22 VAL A 79 82.722 2.101 -2.997 1.00 0.00 H new ATOM 0 HG23 VAL A 79 83.879 1.093 -2.095 1.00 0.00 H new ATOM 1270 N LEU A 80 84.412 5.957 -2.868 1.00 0.00 N ATOM 1271 CA LEU A 80 84.445 7.418 -2.779 1.00 0.00 C ATOM 1272 C LEU A 80 83.039 8.005 -2.871 1.00 0.00 C ATOM 1273 O LEU A 80 82.278 7.678 -3.783 1.00 0.00 O ATOM 1274 CB LEU A 80 85.303 7.990 -3.913 1.00 0.00 C ATOM 1275 CG LEU A 80 86.753 7.522 -3.754 1.00 0.00 C ATOM 1276 CD1 LEU A 80 87.596 8.074 -4.908 1.00 0.00 C ATOM 1277 CD2 LEU A 80 87.312 8.034 -2.423 1.00 0.00 C ATOM 0 H LEU A 80 84.049 5.595 -3.750 1.00 0.00 H new ATOM 0 HA LEU A 80 84.875 7.687 -1.814 1.00 0.00 H new ATOM 0 HB2 LEU A 80 84.910 7.666 -4.877 1.00 0.00 H new ATOM 0 HB3 LEU A 80 85.259 9.079 -3.900 1.00 0.00 H new ATOM 0 HG LEU A 80 86.787 6.433 -3.767 1.00 0.00 H new ATOM 0 HD11 LEU A 80 88.628 7.742 -4.796 1.00 0.00 H new ATOM 0 HD12 LEU A 80 87.198 7.710 -5.855 1.00 0.00 H new ATOM 0 HD13 LEU A 80 87.562 9.163 -4.895 1.00 0.00 H new ATOM 0 HD21 LEU A 80 88.344 7.701 -2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 80 87.279 9.123 -2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 80 86.712 7.642 -1.602 1.00 0.00 H new ATOM 1289 N ARG A 81 82.709 8.884 -1.927 1.00 0.00 N ATOM 1290 CA ARG A 81 81.397 9.525 -1.913 1.00 0.00 C ATOM 1291 C ARG A 81 81.307 10.572 -3.020 1.00 0.00 C ATOM 1292 O ARG A 81 82.147 11.470 -3.108 1.00 0.00 O ATOM 1293 CB ARG A 81 81.153 10.194 -0.555 1.00 0.00 C ATOM 1294 CG ARG A 81 79.720 9.914 -0.091 1.00 0.00 C ATOM 1295 CD ARG A 81 79.344 10.880 1.036 1.00 0.00 C ATOM 1296 NE ARG A 81 79.598 10.266 2.335 1.00 0.00 N ATOM 1297 CZ ARG A 81 80.247 10.919 3.294 1.00 0.00 C ATOM 1298 NH1 ARG A 81 79.946 12.162 3.557 1.00 0.00 N ATOM 1299 NH2 ARG A 81 81.183 10.317 3.974 1.00 0.00 N ATOM 0 H ARG A 81 83.328 9.167 -1.167 1.00 0.00 H new ATOM 0 HA ARG A 81 80.637 8.762 -2.081 1.00 0.00 H new ATOM 0 HB2 ARG A 81 81.864 9.816 0.180 1.00 0.00 H new ATOM 0 HB3 ARG A 81 81.317 11.269 -0.634 1.00 0.00 H new ATOM 0 HG2 ARG A 81 79.029 10.027 -0.926 1.00 0.00 H new ATOM 0 HG3 ARG A 81 79.635 8.884 0.256 1.00 0.00 H new ATOM 0 HD2 ARG A 81 79.920 11.801 0.942 1.00 0.00 H new ATOM 0 HD3 ARG A 81 78.292 11.153 0.955 1.00 0.00 H new ATOM 0 HE ARG A 81 79.271 9.316 2.511 1.00 0.00 H new ATOM 0 HH11 ARG A 81 79.213 12.632 3.027 1.00 0.00 H new ATOM 0 HH12 ARG A 81 80.444 12.663 4.293 1.00 0.00 H new ATOM 0 HH21 ARG A 81 81.417 9.345 3.770 1.00 0.00 H new ATOM 0 HH22 ARG A 81 81.681 10.818 4.710 1.00 0.00 H new ATOM 1313 N LEU A 82 80.287 10.446 -3.864 1.00 0.00 N ATOM 1314 CA LEU A 82 80.091 11.381 -4.968 1.00 0.00 C ATOM 1315 C LEU A 82 79.590 12.731 -4.451 1.00 0.00 C ATOM 1316 O LEU A 82 78.431 13.098 -4.648 1.00 0.00 O ATOM 1317 CB LEU A 82 79.089 10.789 -5.973 1.00 0.00 C ATOM 1318 CG LEU A 82 79.324 11.362 -7.381 1.00 0.00 C ATOM 1319 CD1 LEU A 82 79.011 12.860 -7.395 1.00 0.00 C ATOM 1320 CD2 LEU A 82 80.781 11.138 -7.803 1.00 0.00 C ATOM 0 H LEU A 82 79.585 9.708 -3.805 1.00 0.00 H new ATOM 0 HA LEU A 82 81.047 11.543 -5.466 1.00 0.00 H new ATOM 0 HB2 LEU A 82 79.188 9.704 -5.996 1.00 0.00 H new ATOM 0 HB3 LEU A 82 78.071 11.009 -5.651 1.00 0.00 H new ATOM 0 HG LEU A 82 78.665 10.850 -8.082 1.00 0.00 H new ATOM 0 HD11 LEU A 82 79.180 13.258 -8.396 1.00 0.00 H new ATOM 0 HD12 LEU A 82 77.970 13.017 -7.113 1.00 0.00 H new ATOM 0 HD13 LEU A 82 79.660 13.374 -6.686 1.00 0.00 H new ATOM 0 HD21 LEU A 82 80.938 11.547 -8.801 1.00 0.00 H new ATOM 0 HD22 LEU A 82 81.445 11.638 -7.098 1.00 0.00 H new ATOM 0 HD23 LEU A 82 80.997 10.070 -7.811 1.00 0.00 H new ATOM 1332 N ARG A 83 80.478 13.469 -3.790 1.00 0.00 N ATOM 1333 CA ARG A 83 80.124 14.779 -3.251 1.00 0.00 C ATOM 1334 C ARG A 83 80.143 15.834 -4.354 1.00 0.00 C ATOM 1335 O ARG A 83 79.650 16.948 -4.170 1.00 0.00 O ATOM 1336 CB ARG A 83 81.108 15.169 -2.142 1.00 0.00 C ATOM 1337 CG ARG A 83 80.433 16.145 -1.170 1.00 0.00 C ATOM 1338 CD ARG A 83 79.910 15.382 0.049 1.00 0.00 C ATOM 1339 NE ARG A 83 79.046 16.241 0.851 1.00 0.00 N ATOM 1340 CZ ARG A 83 79.550 17.080 1.751 1.00 0.00 C ATOM 1341 NH1 ARG A 83 79.845 16.650 2.948 1.00 0.00 N ATOM 1342 NH2 ARG A 83 79.753 18.330 1.437 1.00 0.00 N ATOM 0 H ARG A 83 81.442 13.185 -3.615 1.00 0.00 H new ATOM 0 HA ARG A 83 79.117 14.725 -2.837 1.00 0.00 H new ATOM 0 HB2 ARG A 83 81.439 14.279 -1.607 1.00 0.00 H new ATOM 0 HB3 ARG A 83 81.996 15.629 -2.576 1.00 0.00 H new ATOM 0 HG2 ARG A 83 81.144 16.909 -0.855 1.00 0.00 H new ATOM 0 HG3 ARG A 83 79.612 16.660 -1.669 1.00 0.00 H new ATOM 0 HD2 ARG A 83 79.358 14.500 -0.275 1.00 0.00 H new ATOM 0 HD3 ARG A 83 80.746 15.030 0.653 1.00 0.00 H new ATOM 0 HE ARG A 83 78.036 16.197 0.719 1.00 0.00 H new ATOM 0 HH11 ARG A 83 79.689 15.672 3.191 1.00 0.00 H new ATOM 0 HH12 ARG A 83 80.232 17.292 3.640 1.00 0.00 H new ATOM 0 HH21 ARG A 83 79.525 18.664 0.501 1.00 0.00 H new ATOM 0 HH22 ARG A 83 80.140 18.973 2.128 1.00 0.00 H new ATOM 1356 N GLY A 84 80.717 15.473 -5.501 1.00 0.00 N ATOM 1357 CA GLY A 84 80.797 16.392 -6.633 1.00 0.00 C ATOM 1358 C GLY A 84 79.433 16.574 -7.291 1.00 0.00 C ATOM 1359 O GLY A 84 78.510 15.792 -7.055 1.00 0.00 O ATOM 0 H GLY A 84 81.131 14.556 -5.670 1.00 0.00 H new ATOM 0 HA2 GLY A 84 81.173 17.358 -6.295 1.00 0.00 H new ATOM 0 HA3 GLY A 84 81.509 16.011 -7.365 1.00 0.00 H new ATOM 1363 N GLY A 85 79.314 17.609 -8.118 1.00 0.00 N ATOM 1364 CA GLY A 85 78.059 17.891 -8.809 1.00 0.00 C ATOM 1365 C GLY A 85 77.856 16.943 -9.987 1.00 0.00 C ATOM 1366 O GLY A 85 76.738 16.774 -10.473 1.00 0.00 O ATOM 0 H GLY A 85 80.068 18.264 -8.326 1.00 0.00 H new ATOM 0 HA2 GLY A 85 77.227 17.794 -8.112 1.00 0.00 H new ATOM 0 HA3 GLY A 85 78.059 18.922 -9.163 1.00 0.00 H new ATOM 1370 N SER A 86 78.946 16.327 -10.442 1.00 0.00 N ATOM 1371 CA SER A 86 78.881 15.397 -11.566 1.00 0.00 C ATOM 1372 C SER A 86 78.306 14.054 -11.118 1.00 0.00 C ATOM 1373 O SER A 86 79.048 13.115 -10.824 1.00 0.00 O ATOM 1374 CB SER A 86 80.280 15.192 -12.154 1.00 0.00 C ATOM 1375 OG SER A 86 81.195 14.897 -11.105 1.00 0.00 O ATOM 0 H SER A 86 79.880 16.455 -10.051 1.00 0.00 H new ATOM 0 HA SER A 86 78.227 15.819 -12.329 1.00 0.00 H new ATOM 0 HB2 SER A 86 80.266 14.378 -12.879 1.00 0.00 H new ATOM 0 HB3 SER A 86 80.597 16.088 -12.687 1.00 0.00 H new ATOM 0 HG SER A 86 80.884 14.110 -10.611 1.00 0.00 H new ATOM 1381 N MET A 87 76.978 13.974 -11.069 1.00 0.00 N ATOM 1382 CA MET A 87 76.305 12.744 -10.657 1.00 0.00 C ATOM 1383 C MET A 87 76.481 11.651 -11.709 1.00 0.00 C ATOM 1384 O MET A 87 76.170 10.486 -11.462 1.00 0.00 O ATOM 1385 CB MET A 87 74.813 13.013 -10.443 1.00 0.00 C ATOM 1386 CG MET A 87 74.627 13.997 -9.284 1.00 0.00 C ATOM 1387 SD MET A 87 72.876 14.076 -8.836 1.00 0.00 S ATOM 1388 CE MET A 87 72.866 15.788 -8.244 1.00 0.00 C ATOM 0 H MET A 87 76.350 14.741 -11.308 1.00 0.00 H new ATOM 0 HA MET A 87 76.753 12.405 -9.723 1.00 0.00 H new ATOM 0 HB2 MET A 87 74.373 13.421 -11.353 1.00 0.00 H new ATOM 0 HB3 MET A 87 74.293 12.080 -10.228 1.00 0.00 H new ATOM 0 HG2 MET A 87 75.219 13.680 -8.425 1.00 0.00 H new ATOM 0 HG3 MET A 87 74.985 14.986 -9.571 1.00 0.00 H new ATOM 0 HE1 MET A 87 71.862 16.052 -7.912 1.00 0.00 H new ATOM 0 HE2 MET A 87 73.562 15.889 -7.411 1.00 0.00 H new ATOM 0 HE3 MET A 87 73.168 16.454 -9.052 1.00 0.00 H new ATOM 1398 N GLY A 88 76.983 12.034 -12.881 1.00 0.00 N ATOM 1399 CA GLY A 88 77.199 11.078 -13.963 1.00 0.00 C ATOM 1400 C GLY A 88 78.323 10.108 -13.617 1.00 0.00 C ATOM 1401 O GLY A 88 79.488 10.357 -13.929 1.00 0.00 O ATOM 0 H GLY A 88 77.246 12.994 -13.104 1.00 0.00 H new ATOM 0 HA2 GLY A 88 76.280 10.523 -14.152 1.00 0.00 H new ATOM 0 HA3 GLY A 88 77.444 11.612 -14.881 1.00 0.00 H new ATOM 1405 N GLY A 89 77.965 9.003 -12.968 1.00 0.00 N ATOM 1406 CA GLY A 89 78.953 7.998 -12.581 1.00 0.00 C ATOM 1407 C GLY A 89 78.316 6.900 -11.734 1.00 0.00 C ATOM 1408 O GLY A 89 77.170 7.021 -11.298 1.00 0.00 O ATOM 0 H GLY A 89 77.006 8.781 -12.700 1.00 0.00 H new ATOM 0 HA2 GLY A 89 79.400 7.560 -13.474 1.00 0.00 H new ATOM 0 HA3 GLY A 89 79.759 8.472 -12.021 1.00 0.00 H new ATOM 1412 N ALA A 90 79.071 5.826 -11.508 1.00 0.00 N ATOM 1413 CA ALA A 90 78.582 4.703 -10.714 1.00 0.00 C ATOM 1414 C ALA A 90 78.290 5.142 -9.282 1.00 0.00 C ATOM 1415 O ALA A 90 77.202 4.901 -8.759 1.00 0.00 O ATOM 1416 CB ALA A 90 79.621 3.579 -10.706 1.00 0.00 C ATOM 0 H ALA A 90 80.020 5.711 -11.863 1.00 0.00 H new ATOM 0 HA ALA A 90 77.658 4.340 -11.163 1.00 0.00 H new ATOM 0 HB1 ALA A 90 79.249 2.744 -10.112 1.00 0.00 H new ATOM 0 HB2 ALA A 90 79.803 3.245 -11.727 1.00 0.00 H new ATOM 0 HB3 ALA A 90 80.551 3.947 -10.273 1.00 0.00 H new ATOM 1422 N ALA A 91 79.270 5.789 -8.654 1.00 0.00 N ATOM 1423 CA ALA A 91 79.109 6.260 -7.282 1.00 0.00 C ATOM 1424 C ALA A 91 78.199 7.485 -7.246 1.00 0.00 C ATOM 1425 O ALA A 91 78.333 8.391 -8.069 1.00 0.00 O ATOM 1426 CB ALA A 91 80.474 6.617 -6.688 1.00 0.00 C ATOM 0 H ALA A 91 80.177 5.997 -9.071 1.00 0.00 H new ATOM 0 HA ALA A 91 78.656 5.464 -6.692 1.00 0.00 H new ATOM 0 HB1 ALA A 91 80.345 6.968 -5.664 1.00 0.00 H new ATOM 0 HB2 ALA A 91 81.114 5.735 -6.691 1.00 0.00 H new ATOM 0 HB3 ALA A 91 80.936 7.403 -7.285 1.00 0.00 H new ATOM 1432 N ASP A 92 77.272 7.504 -6.289 1.00 0.00 N ATOM 1433 CA ASP A 92 76.341 8.622 -6.156 1.00 0.00 C ATOM 1434 C ASP A 92 75.961 8.837 -4.692 1.00 0.00 C ATOM 1435 O ASP A 92 74.816 9.165 -4.380 1.00 0.00 O ATOM 1436 CB ASP A 92 75.079 8.353 -6.980 1.00 0.00 C ATOM 1437 CG ASP A 92 75.434 8.238 -8.460 1.00 0.00 C ATOM 1438 OD1 ASP A 92 75.619 9.268 -9.086 1.00 0.00 O ATOM 1439 OD2 ASP A 92 75.518 7.123 -8.945 1.00 0.00 O ATOM 0 H ASP A 92 77.146 6.763 -5.599 1.00 0.00 H new ATOM 0 HA ASP A 92 76.831 9.522 -6.526 1.00 0.00 H new ATOM 0 HB2 ASP A 92 74.602 7.434 -6.640 1.00 0.00 H new ATOM 0 HB3 ASP A 92 74.360 9.159 -6.832 1.00 0.00 H new ATOM 1444 N GLU A 93 76.934 8.649 -3.801 1.00 0.00 N ATOM 1445 CA GLU A 93 76.699 8.822 -2.367 1.00 0.00 C ATOM 1446 C GLU A 93 75.522 7.960 -1.912 1.00 0.00 C ATOM 1447 O GLU A 93 74.543 8.464 -1.362 1.00 0.00 O ATOM 1448 CB GLU A 93 76.417 10.298 -2.051 1.00 0.00 C ATOM 1449 CG GLU A 93 77.404 11.189 -2.805 1.00 0.00 C ATOM 1450 CD GLU A 93 77.793 12.391 -1.948 1.00 0.00 C ATOM 1451 OE1 GLU A 93 76.940 13.234 -1.721 1.00 0.00 O ATOM 1452 OE2 GLU A 93 78.939 12.452 -1.534 1.00 0.00 O ATOM 0 H GLU A 93 77.887 8.379 -4.044 1.00 0.00 H new ATOM 0 HA GLU A 93 77.594 8.507 -1.830 1.00 0.00 H new ATOM 0 HB2 GLU A 93 75.395 10.551 -2.335 1.00 0.00 H new ATOM 0 HB3 GLU A 93 76.502 10.472 -0.978 1.00 0.00 H new ATOM 0 HG2 GLU A 93 78.294 10.617 -3.067 1.00 0.00 H new ATOM 0 HG3 GLU A 93 76.957 11.529 -3.739 1.00 0.00 H new ATOM 1459 N GLU A 94 75.645 6.656 -2.148 1.00 0.00 N ATOM 1460 CA GLU A 94 74.614 5.684 -1.777 1.00 0.00 C ATOM 1461 C GLU A 94 74.946 4.346 -2.433 1.00 0.00 C ATOM 1462 O GLU A 94 75.570 3.477 -1.823 1.00 0.00 O ATOM 1463 CB GLU A 94 73.225 6.163 -2.236 1.00 0.00 C ATOM 1464 CG GLU A 94 72.177 5.071 -1.974 1.00 0.00 C ATOM 1465 CD GLU A 94 71.811 4.355 -3.275 1.00 0.00 C ATOM 1466 OE1 GLU A 94 71.472 5.034 -4.232 1.00 0.00 O ATOM 1467 OE2 GLU A 94 71.872 3.136 -3.294 1.00 0.00 O ATOM 0 H GLU A 94 76.460 6.242 -2.601 1.00 0.00 H new ATOM 0 HA GLU A 94 74.593 5.575 -0.693 1.00 0.00 H new ATOM 0 HB2 GLU A 94 72.952 7.075 -1.705 1.00 0.00 H new ATOM 0 HB3 GLU A 94 73.249 6.408 -3.298 1.00 0.00 H new ATOM 0 HG2 GLU A 94 72.566 4.352 -1.253 1.00 0.00 H new ATOM 0 HG3 GLU A 94 71.284 5.514 -1.533 1.00 0.00 H new ATOM 1474 N GLU A 95 74.512 4.192 -3.679 1.00 0.00 N ATOM 1475 CA GLU A 95 74.755 2.965 -4.429 1.00 0.00 C ATOM 1476 C GLU A 95 76.242 2.607 -4.437 1.00 0.00 C ATOM 1477 O GLU A 95 76.593 1.431 -4.414 1.00 0.00 O ATOM 1478 CB GLU A 95 74.252 3.131 -5.866 1.00 0.00 C ATOM 1479 CG GLU A 95 74.906 4.360 -6.509 1.00 0.00 C ATOM 1480 CD GLU A 95 74.061 4.849 -7.681 1.00 0.00 C ATOM 1481 OE1 GLU A 95 73.117 5.585 -7.438 1.00 0.00 O ATOM 1482 OE2 GLU A 95 74.368 4.481 -8.802 1.00 0.00 O ATOM 0 H GLU A 95 73.990 4.902 -4.192 1.00 0.00 H new ATOM 0 HA GLU A 95 74.214 2.154 -3.942 1.00 0.00 H new ATOM 0 HB2 GLU A 95 74.484 2.239 -6.447 1.00 0.00 H new ATOM 0 HB3 GLU A 95 73.168 3.241 -5.871 1.00 0.00 H new ATOM 0 HG2 GLU A 95 75.011 5.154 -5.770 1.00 0.00 H new ATOM 0 HG3 GLU A 95 75.909 4.110 -6.853 1.00 0.00 H new ATOM 1489 N LEU A 96 77.103 3.627 -4.492 1.00 0.00 N ATOM 1490 CA LEU A 96 78.559 3.426 -4.532 1.00 0.00 C ATOM 1491 C LEU A 96 79.015 2.204 -3.725 1.00 0.00 C ATOM 1492 O LEU A 96 80.032 1.592 -4.053 1.00 0.00 O ATOM 1493 CB LEU A 96 79.268 4.699 -4.033 1.00 0.00 C ATOM 1494 CG LEU A 96 79.424 4.691 -2.504 1.00 0.00 C ATOM 1495 CD1 LEU A 96 80.186 5.945 -2.067 1.00 0.00 C ATOM 1496 CD2 LEU A 96 78.048 4.689 -1.837 1.00 0.00 C ATOM 0 H LEU A 96 76.817 4.606 -4.510 1.00 0.00 H new ATOM 0 HA LEU A 96 78.834 3.229 -5.568 1.00 0.00 H new ATOM 0 HB2 LEU A 96 80.250 4.777 -4.500 1.00 0.00 H new ATOM 0 HB3 LEU A 96 78.699 5.577 -4.338 1.00 0.00 H new ATOM 0 HG LEU A 96 79.971 3.796 -2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 96 80.299 5.943 -0.983 1.00 0.00 H new ATOM 0 HD12 LEU A 96 81.171 5.954 -2.534 1.00 0.00 H new ATOM 0 HD13 LEU A 96 79.632 6.832 -2.372 1.00 0.00 H new ATOM 0 HD21 LEU A 96 78.169 4.683 -0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 96 77.497 5.581 -2.136 1.00 0.00 H new ATOM 0 HD23 LEU A 96 77.496 3.801 -2.145 1.00 0.00 H new ATOM 1508 N ILE A 97 78.265 1.838 -2.688 1.00 0.00 N ATOM 1509 CA ILE A 97 78.620 0.675 -1.878 1.00 0.00 C ATOM 1510 C ILE A 97 77.862 -0.565 -2.362 1.00 0.00 C ATOM 1511 O ILE A 97 78.460 -1.624 -2.556 1.00 0.00 O ATOM 1512 CB ILE A 97 78.319 0.944 -0.394 1.00 0.00 C ATOM 1513 CG1 ILE A 97 79.517 1.661 0.247 1.00 0.00 C ATOM 1514 CG2 ILE A 97 78.071 -0.378 0.343 1.00 0.00 C ATOM 1515 CD1 ILE A 97 79.017 2.675 1.279 1.00 0.00 C ATOM 0 H ILE A 97 77.418 2.323 -2.391 1.00 0.00 H new ATOM 0 HA ILE A 97 79.689 0.490 -1.986 1.00 0.00 H new ATOM 0 HB ILE A 97 77.428 1.568 -0.320 1.00 0.00 H new ATOM 0 HG12 ILE A 97 80.175 0.935 0.725 1.00 0.00 H new ATOM 0 HG13 ILE A 97 80.104 2.167 -0.520 1.00 0.00 H new ATOM 0 HG21 ILE A 97 77.859 -0.175 1.393 1.00 0.00 H new ATOM 0 HG22 ILE A 97 77.221 -0.891 -0.106 1.00 0.00 H new ATOM 0 HG23 ILE A 97 78.957 -1.009 0.267 1.00 0.00 H new ATOM 0 HD11 ILE A 97 79.868 3.182 1.733 1.00 0.00 H new ATOM 0 HD12 ILE A 97 78.377 3.408 0.788 1.00 0.00 H new ATOM 0 HD13 ILE A 97 78.449 2.157 2.052 1.00 0.00 H new ATOM 1527 N ARG A 98 76.546 -0.434 -2.542 1.00 0.00 N ATOM 1528 CA ARG A 98 75.723 -1.559 -2.989 1.00 0.00 C ATOM 1529 C ARG A 98 76.272 -2.180 -4.276 1.00 0.00 C ATOM 1530 O ARG A 98 76.444 -3.400 -4.355 1.00 0.00 O ATOM 1531 CB ARG A 98 74.264 -1.106 -3.191 1.00 0.00 C ATOM 1532 CG ARG A 98 74.060 -0.544 -4.606 1.00 0.00 C ATOM 1533 CD ARG A 98 72.631 -0.010 -4.747 1.00 0.00 C ATOM 1534 NE ARG A 98 71.757 -1.041 -5.299 1.00 0.00 N ATOM 1535 CZ ARG A 98 71.131 -1.909 -4.509 1.00 0.00 C ATOM 1536 NH1 ARG A 98 70.123 -1.516 -3.779 1.00 0.00 N ATOM 1537 NH2 ARG A 98 71.526 -3.153 -4.465 1.00 0.00 N ATOM 0 H ARG A 98 76.031 0.433 -2.387 1.00 0.00 H new ATOM 0 HA ARG A 98 75.753 -2.324 -2.213 1.00 0.00 H new ATOM 0 HB2 ARG A 98 73.591 -1.948 -3.028 1.00 0.00 H new ATOM 0 HB3 ARG A 98 74.008 -0.346 -2.452 1.00 0.00 H new ATOM 0 HG2 ARG A 98 74.777 0.254 -4.798 1.00 0.00 H new ATOM 0 HG3 ARG A 98 74.243 -1.322 -5.347 1.00 0.00 H new ATOM 0 HD2 ARG A 98 72.258 0.310 -3.774 1.00 0.00 H new ATOM 0 HD3 ARG A 98 72.625 0.866 -5.395 1.00 0.00 H new ATOM 0 HE ARG A 98 71.624 -1.097 -6.309 1.00 0.00 H new ATOM 0 HH11 ARG A 98 69.816 -0.544 -3.815 1.00 0.00 H new ATOM 0 HH12 ARG A 98 69.642 -2.181 -3.173 1.00 0.00 H new ATOM 0 HH21 ARG A 98 72.314 -3.458 -5.036 1.00 0.00 H new ATOM 0 HH22 ARG A 98 71.047 -3.819 -3.859 1.00 0.00 H new ATOM 1551 N LYS A 99 76.549 -1.347 -5.278 1.00 0.00 N ATOM 1552 CA LYS A 99 77.078 -1.851 -6.542 1.00 0.00 C ATOM 1553 C LYS A 99 78.466 -2.436 -6.322 1.00 0.00 C ATOM 1554 O LYS A 99 78.644 -3.645 -6.408 1.00 0.00 O ATOM 1555 CB LYS A 99 77.133 -0.741 -7.605 1.00 0.00 C ATOM 1556 CG LYS A 99 77.105 0.638 -6.939 1.00 0.00 C ATOM 1557 CD LYS A 99 77.506 1.717 -7.950 1.00 0.00 C ATOM 1558 CE LYS A 99 76.581 1.666 -9.172 1.00 0.00 C ATOM 1559 NZ LYS A 99 75.161 1.763 -8.731 1.00 0.00 N ATOM 0 H LYS A 99 76.418 -0.336 -5.241 1.00 0.00 H new ATOM 0 HA LYS A 99 76.409 -2.631 -6.907 1.00 0.00 H new ATOM 0 HB2 LYS A 99 78.039 -0.845 -8.202 1.00 0.00 H new ATOM 0 HB3 LYS A 99 76.289 -0.840 -8.287 1.00 0.00 H new ATOM 0 HG2 LYS A 99 76.107 0.844 -6.552 1.00 0.00 H new ATOM 0 HG3 LYS A 99 77.786 0.654 -6.088 1.00 0.00 H new ATOM 0 HD2 LYS A 99 77.451 2.701 -7.484 1.00 0.00 H new ATOM 0 HD3 LYS A 99 78.540 1.568 -8.261 1.00 0.00 H new ATOM 0 HE2 LYS A 99 76.817 2.484 -9.853 1.00 0.00 H new ATOM 0 HE3 LYS A 99 76.739 0.738 -9.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 74.535 1.477 -9.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 75.007 1.136 -7.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 74.948 2.744 -8.458 1.00 0.00 H new ATOM 1573 N ALA A 100 79.447 -1.570 -6.059 1.00 0.00 N ATOM 1574 CA ALA A 100 80.830 -2.007 -5.841 1.00 0.00 C ATOM 1575 C ALA A 100 80.895 -3.369 -5.146 1.00 0.00 C ATOM 1576 O ALA A 100 81.742 -4.198 -5.481 1.00 0.00 O ATOM 1577 CB ALA A 100 81.566 -0.966 -4.992 1.00 0.00 C ATOM 0 H ALA A 100 79.310 -0.561 -5.992 1.00 0.00 H new ATOM 0 HA ALA A 100 81.306 -2.106 -6.816 1.00 0.00 H new ATOM 0 HB1 ALA A 100 82.594 -1.290 -4.829 1.00 0.00 H new ATOM 0 HB2 ALA A 100 81.565 -0.007 -5.511 1.00 0.00 H new ATOM 0 HB3 ALA A 100 81.063 -0.859 -4.031 1.00 0.00 H new ATOM 1583 N ILE A 101 79.994 -3.598 -4.191 1.00 0.00 N ATOM 1584 CA ILE A 101 79.961 -4.872 -3.472 1.00 0.00 C ATOM 1585 C ILE A 101 79.569 -6.010 -4.420 1.00 0.00 C ATOM 1586 O ILE A 101 80.201 -7.066 -4.436 1.00 0.00 O ATOM 1587 CB ILE A 101 78.958 -4.791 -2.312 1.00 0.00 C ATOM 1588 CG1 ILE A 101 79.617 -4.082 -1.123 1.00 0.00 C ATOM 1589 CG2 ILE A 101 78.531 -6.202 -1.891 1.00 0.00 C ATOM 1590 CD1 ILE A 101 78.565 -3.778 -0.054 1.00 0.00 C ATOM 0 H ILE A 101 79.284 -2.926 -3.899 1.00 0.00 H new ATOM 0 HA ILE A 101 80.955 -5.075 -3.074 1.00 0.00 H new ATOM 0 HB ILE A 101 78.079 -4.233 -2.634 1.00 0.00 H new ATOM 0 HG12 ILE A 101 80.404 -4.709 -0.704 1.00 0.00 H new ATOM 0 HG13 ILE A 101 80.089 -3.157 -1.455 1.00 0.00 H new ATOM 0 HG21 ILE A 101 77.820 -6.136 -1.068 1.00 0.00 H new ATOM 0 HG22 ILE A 101 78.063 -6.708 -2.736 1.00 0.00 H new ATOM 0 HG23 ILE A 101 79.406 -6.766 -1.570 1.00 0.00 H new ATOM 0 HD11 ILE A 101 79.038 -3.274 0.789 1.00 0.00 H new ATOM 0 HD12 ILE A 101 77.794 -3.134 -0.476 1.00 0.00 H new ATOM 0 HD13 ILE A 101 78.113 -4.709 0.287 1.00 0.00 H new ATOM 1602 N GLU A 102 78.510 -5.782 -5.190 1.00 0.00 N ATOM 1603 CA GLU A 102 78.007 -6.781 -6.134 1.00 0.00 C ATOM 1604 C GLU A 102 78.701 -6.687 -7.495 1.00 0.00 C ATOM 1605 O GLU A 102 78.505 -7.547 -8.354 1.00 0.00 O ATOM 1606 CB GLU A 102 76.499 -6.584 -6.327 1.00 0.00 C ATOM 1607 CG GLU A 102 75.731 -7.716 -5.641 1.00 0.00 C ATOM 1608 CD GLU A 102 76.032 -7.726 -4.144 1.00 0.00 C ATOM 1609 OE1 GLU A 102 75.521 -6.860 -3.452 1.00 0.00 O ATOM 1610 OE2 GLU A 102 76.770 -8.597 -3.713 1.00 0.00 O ATOM 0 H GLU A 102 77.980 -4.911 -5.180 1.00 0.00 H new ATOM 0 HA GLU A 102 78.218 -7.766 -5.716 1.00 0.00 H new ATOM 0 HB2 GLU A 102 76.194 -5.623 -5.913 1.00 0.00 H new ATOM 0 HB3 GLU A 102 76.260 -6.563 -7.390 1.00 0.00 H new ATOM 0 HG2 GLU A 102 74.661 -7.590 -5.803 1.00 0.00 H new ATOM 0 HG3 GLU A 102 76.009 -8.673 -6.082 1.00 0.00 H new ATOM 1617 N LEU A 103 79.473 -5.626 -7.712 1.00 0.00 N ATOM 1618 CA LEU A 103 80.133 -5.444 -9.003 1.00 0.00 C ATOM 1619 C LEU A 103 81.523 -6.083 -9.057 1.00 0.00 C ATOM 1620 O LEU A 103 81.718 -7.097 -9.726 1.00 0.00 O ATOM 1621 CB LEU A 103 80.264 -3.947 -9.312 1.00 0.00 C ATOM 1622 CG LEU A 103 78.948 -3.406 -9.884 1.00 0.00 C ATOM 1623 CD1 LEU A 103 79.119 -1.925 -10.234 1.00 0.00 C ATOM 1624 CD2 LEU A 103 78.570 -4.186 -11.149 1.00 0.00 C ATOM 0 H LEU A 103 79.655 -4.892 -7.027 1.00 0.00 H new ATOM 0 HA LEU A 103 79.511 -5.942 -9.746 1.00 0.00 H new ATOM 0 HB2 LEU A 103 80.525 -3.403 -8.405 1.00 0.00 H new ATOM 0 HB3 LEU A 103 81.072 -3.785 -10.025 1.00 0.00 H new ATOM 0 HG LEU A 103 78.159 -3.521 -9.141 1.00 0.00 H new ATOM 0 HD11 LEU A 103 78.185 -1.537 -10.641 1.00 0.00 H new ATOM 0 HD12 LEU A 103 79.383 -1.367 -9.336 1.00 0.00 H new ATOM 0 HD13 LEU A 103 79.911 -1.815 -10.975 1.00 0.00 H new ATOM 0 HD21 LEU A 103 77.634 -3.797 -11.550 1.00 0.00 H new ATOM 0 HD22 LEU A 103 79.358 -4.075 -11.894 1.00 0.00 H new ATOM 0 HD23 LEU A 103 78.448 -5.241 -10.903 1.00 0.00 H new ATOM 1636 N SER A 104 82.489 -5.466 -8.383 1.00 0.00 N ATOM 1637 CA SER A 104 83.865 -5.962 -8.398 1.00 0.00 C ATOM 1638 C SER A 104 84.214 -6.751 -7.142 1.00 0.00 C ATOM 1639 O SER A 104 85.279 -7.367 -7.070 1.00 0.00 O ATOM 1640 CB SER A 104 84.833 -4.787 -8.541 1.00 0.00 C ATOM 1641 OG SER A 104 86.119 -5.276 -8.897 1.00 0.00 O ATOM 0 H SER A 104 82.348 -4.626 -7.822 1.00 0.00 H new ATOM 0 HA SER A 104 83.955 -6.638 -9.248 1.00 0.00 H new ATOM 0 HB2 SER A 104 84.472 -4.094 -9.301 1.00 0.00 H new ATOM 0 HB3 SER A 104 84.889 -4.232 -7.605 1.00 0.00 H new ATOM 0 HG SER A 104 86.283 -6.127 -8.440 1.00 0.00 H new ATOM 1647 N LEU A 105 83.344 -6.704 -6.145 1.00 0.00 N ATOM 1648 CA LEU A 105 83.610 -7.391 -4.891 1.00 0.00 C ATOM 1649 C LEU A 105 83.055 -8.812 -4.897 1.00 0.00 C ATOM 1650 O LEU A 105 83.697 -9.735 -4.393 1.00 0.00 O ATOM 1651 CB LEU A 105 82.990 -6.592 -3.743 1.00 0.00 C ATOM 1652 CG LEU A 105 84.053 -5.730 -3.044 1.00 0.00 C ATOM 1653 CD1 LEU A 105 85.311 -6.557 -2.756 1.00 0.00 C ATOM 1654 CD2 LEU A 105 84.421 -4.540 -3.938 1.00 0.00 C ATOM 0 H LEU A 105 82.456 -6.203 -6.178 1.00 0.00 H new ATOM 0 HA LEU A 105 84.690 -7.463 -4.760 1.00 0.00 H new ATOM 0 HB2 LEU A 105 82.193 -5.955 -4.126 1.00 0.00 H new ATOM 0 HB3 LEU A 105 82.536 -7.273 -3.023 1.00 0.00 H new ATOM 0 HG LEU A 105 83.643 -5.370 -2.100 1.00 0.00 H new ATOM 0 HD11 LEU A 105 86.053 -5.930 -2.261 1.00 0.00 H new ATOM 0 HD12 LEU A 105 85.055 -7.396 -2.109 1.00 0.00 H new ATOM 0 HD13 LEU A 105 85.721 -6.934 -3.693 1.00 0.00 H new ATOM 0 HD21 LEU A 105 85.175 -3.930 -3.440 1.00 0.00 H new ATOM 0 HD22 LEU A 105 84.818 -4.905 -4.885 1.00 0.00 H new ATOM 0 HD23 LEU A 105 83.532 -3.937 -4.125 1.00 0.00 H new ATOM 1666 N LYS A 106 81.864 -8.985 -5.459 1.00 0.00 N ATOM 1667 CA LYS A 106 81.243 -10.303 -5.508 1.00 0.00 C ATOM 1668 C LYS A 106 81.818 -11.133 -6.656 1.00 0.00 C ATOM 1669 O LYS A 106 81.744 -12.363 -6.642 1.00 0.00 O ATOM 1670 CB LYS A 106 79.724 -10.160 -5.659 1.00 0.00 C ATOM 1671 CG LYS A 106 79.340 -10.040 -7.140 1.00 0.00 C ATOM 1672 CD LYS A 106 79.062 -11.431 -7.723 1.00 0.00 C ATOM 1673 CE LYS A 106 77.577 -11.558 -8.073 1.00 0.00 C ATOM 1674 NZ LYS A 106 77.279 -10.741 -9.284 1.00 0.00 N ATOM 0 H LYS A 106 81.314 -8.238 -5.883 1.00 0.00 H new ATOM 0 HA LYS A 106 81.459 -10.823 -4.575 1.00 0.00 H new ATOM 0 HB2 LYS A 106 79.226 -11.023 -5.217 1.00 0.00 H new ATOM 0 HB3 LYS A 106 79.380 -9.280 -5.116 1.00 0.00 H new ATOM 0 HG2 LYS A 106 78.457 -9.409 -7.246 1.00 0.00 H new ATOM 0 HG3 LYS A 106 80.145 -9.558 -7.695 1.00 0.00 H new ATOM 0 HD2 LYS A 106 79.670 -11.591 -8.613 1.00 0.00 H new ATOM 0 HD3 LYS A 106 79.343 -12.200 -7.003 1.00 0.00 H new ATOM 0 HE2 LYS A 106 77.323 -12.602 -8.255 1.00 0.00 H new ATOM 0 HE3 LYS A 106 76.965 -11.223 -7.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 76.339 -10.994 -9.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 77.293 -9.732 -9.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 77.997 -10.927 -10.013 1.00 0.00 H new ATOM 1688 N GLU A 107 82.394 -10.451 -7.645 1.00 0.00 N ATOM 1689 CA GLU A 107 82.979 -11.137 -8.794 1.00 0.00 C ATOM 1690 C GLU A 107 84.101 -12.071 -8.348 1.00 0.00 C ATOM 1691 O GLU A 107 84.463 -13.006 -9.064 1.00 0.00 O ATOM 1692 CB GLU A 107 83.522 -10.112 -9.796 1.00 0.00 C ATOM 1693 CG GLU A 107 82.833 -10.300 -11.152 1.00 0.00 C ATOM 1694 CD GLU A 107 81.481 -9.585 -11.162 1.00 0.00 C ATOM 1695 OE1 GLU A 107 80.650 -9.913 -10.329 1.00 0.00 O ATOM 1696 OE2 GLU A 107 81.297 -8.721 -12.003 1.00 0.00 O ATOM 0 H GLU A 107 82.468 -9.434 -7.674 1.00 0.00 H new ATOM 0 HA GLU A 107 82.202 -11.731 -9.274 1.00 0.00 H new ATOM 0 HB2 GLU A 107 83.349 -9.101 -9.427 1.00 0.00 H new ATOM 0 HB3 GLU A 107 84.600 -10.232 -9.905 1.00 0.00 H new ATOM 0 HG2 GLU A 107 83.466 -9.907 -11.947 1.00 0.00 H new ATOM 0 HG3 GLU A 107 82.692 -11.362 -11.352 1.00 0.00 H new ATOM 1703 N SER A 108 84.639 -11.815 -7.157 1.00 0.00 N ATOM 1704 CA SER A 108 85.712 -12.642 -6.616 1.00 0.00 C ATOM 1705 C SER A 108 85.250 -14.090 -6.488 1.00 0.00 C ATOM 1706 O SER A 108 86.032 -15.022 -6.682 1.00 0.00 O ATOM 1707 CB SER A 108 86.137 -12.115 -5.244 1.00 0.00 C ATOM 1708 OG SER A 108 87.284 -12.827 -4.800 1.00 0.00 O ATOM 0 H SER A 108 84.351 -11.046 -6.552 1.00 0.00 H new ATOM 0 HA SER A 108 86.562 -12.600 -7.297 1.00 0.00 H new ATOM 0 HB2 SER A 108 86.357 -11.049 -5.304 1.00 0.00 H new ATOM 0 HB3 SER A 108 85.323 -12.232 -4.529 1.00 0.00 H new ATOM 0 HG SER A 108 87.559 -12.490 -3.922 1.00 0.00 H new ATOM 1714 N ARG A 109 83.970 -14.268 -6.170 1.00 0.00 N ATOM 1715 CA ARG A 109 83.402 -15.604 -6.026 1.00 0.00 C ATOM 1716 C ARG A 109 83.388 -16.321 -7.373 1.00 0.00 C ATOM 1717 O ARG A 109 83.628 -17.526 -7.449 1.00 0.00 O ATOM 1718 CB ARG A 109 81.975 -15.508 -5.478 1.00 0.00 C ATOM 1719 CG ARG A 109 81.582 -16.836 -4.823 1.00 0.00 C ATOM 1720 CD ARG A 109 80.071 -16.862 -4.581 1.00 0.00 C ATOM 1721 NE ARG A 109 79.356 -16.858 -5.854 1.00 0.00 N ATOM 1722 CZ ARG A 109 78.390 -15.978 -6.100 1.00 0.00 C ATOM 1723 NH1 ARG A 109 78.668 -14.706 -6.173 1.00 0.00 N ATOM 1724 NH2 ARG A 109 77.163 -16.388 -6.270 1.00 0.00 N ATOM 0 H ARG A 109 83.310 -13.507 -6.008 1.00 0.00 H new ATOM 0 HA ARG A 109 84.018 -16.172 -5.329 1.00 0.00 H new ATOM 0 HB2 ARG A 109 81.908 -14.699 -4.750 1.00 0.00 H new ATOM 0 HB3 ARG A 109 81.281 -15.270 -6.284 1.00 0.00 H new ATOM 0 HG2 ARG A 109 81.872 -17.669 -5.463 1.00 0.00 H new ATOM 0 HG3 ARG A 109 82.114 -16.959 -3.879 1.00 0.00 H new ATOM 0 HD2 ARG A 109 79.802 -17.749 -4.008 1.00 0.00 H new ATOM 0 HD3 ARG A 109 79.776 -15.997 -3.987 1.00 0.00 H new ATOM 0 HE ARG A 109 79.602 -17.543 -6.568 1.00 0.00 H new ATOM 0 HH11 ARG A 109 79.627 -14.385 -6.041 1.00 0.00 H new ATOM 0 HH12 ARG A 109 77.926 -14.032 -6.362 1.00 0.00 H new ATOM 0 HH21 ARG A 109 76.945 -17.383 -6.214 1.00 0.00 H new ATOM 0 HH22 ARG A 109 76.421 -15.714 -6.459 1.00 0.00 H new ATOM 1738 N ASN A 110 83.111 -15.565 -8.434 1.00 0.00 N ATOM 1739 CA ASN A 110 83.072 -16.128 -9.781 1.00 0.00 C ATOM 1740 C ASN A 110 84.459 -16.604 -10.199 1.00 0.00 C ATOM 1741 O ASN A 110 84.595 -17.550 -10.977 1.00 0.00 O ATOM 1742 CB ASN A 110 82.567 -15.075 -10.774 1.00 0.00 C ATOM 1743 CG ASN A 110 81.728 -15.740 -11.862 1.00 0.00 C ATOM 1744 OD1 ASN A 110 80.508 -15.843 -11.728 1.00 0.00 O ATOM 1745 ND2 ASN A 110 82.310 -16.201 -12.934 1.00 0.00 N ATOM 0 H ASN A 110 82.911 -14.566 -8.387 1.00 0.00 H new ATOM 0 HA ASN A 110 82.392 -16.980 -9.781 1.00 0.00 H new ATOM 0 HB2 ASN A 110 81.971 -14.327 -10.251 1.00 0.00 H new ATOM 0 HB3 ASN A 110 83.412 -14.553 -11.223 1.00 0.00 H new ATOM 0 HD21 ASN A 110 81.755 -16.648 -13.664 1.00 0.00 H new ATOM 0 HD22 ASN A 110 83.320 -16.115 -13.043 1.00 0.00 H new ATOM 1752 N SER A 111 85.488 -15.941 -9.673 1.00 0.00 N ATOM 1753 CA SER A 111 86.867 -16.301 -9.991 1.00 0.00 C ATOM 1754 C SER A 111 87.217 -17.660 -9.390 1.00 0.00 C ATOM 1755 O SER A 111 88.129 -18.341 -9.860 1.00 0.00 O ATOM 1756 CB SER A 111 87.823 -15.237 -9.447 1.00 0.00 C ATOM 1757 OG SER A 111 89.086 -15.373 -10.082 1.00 0.00 O ATOM 0 H SER A 111 85.393 -15.156 -9.028 1.00 0.00 H new ATOM 0 HA SER A 111 86.968 -16.359 -11.075 1.00 0.00 H new ATOM 0 HB2 SER A 111 87.418 -14.241 -9.627 1.00 0.00 H new ATOM 0 HB3 SER A 111 87.932 -15.347 -8.368 1.00 0.00 H new ATOM 0 HG SER A 111 89.701 -14.692 -9.737 1.00 0.00 H new ATOM 1763 N GLY A 112 86.481 -18.046 -8.349 1.00 0.00 N ATOM 1764 CA GLY A 112 86.715 -19.327 -7.687 1.00 0.00 C ATOM 1765 C GLY A 112 86.097 -20.475 -8.479 1.00 0.00 C ATOM 1766 O GLY A 112 86.078 -21.617 -8.018 1.00 0.00 O ATOM 0 H GLY A 112 85.723 -17.494 -7.948 1.00 0.00 H new ATOM 0 HA2 GLY A 112 87.787 -19.493 -7.577 1.00 0.00 H new ATOM 0 HA3 GLY A 112 86.291 -19.304 -6.683 1.00 0.00 H new ATOM 1770 N GLY A 113 85.594 -20.164 -9.673 1.00 0.00 N ATOM 1771 CA GLY A 113 84.979 -21.177 -10.526 1.00 0.00 C ATOM 1772 C GLY A 113 85.993 -22.243 -10.929 1.00 0.00 C ATOM 1773 O GLY A 113 85.620 -23.353 -11.313 1.00 0.00 O ATOM 0 H GLY A 113 85.600 -19.224 -10.069 1.00 0.00 H new ATOM 0 HA2 GLY A 113 84.146 -21.643 -10.000 1.00 0.00 H new ATOM 0 HA3 GLY A 113 84.568 -20.705 -11.419 1.00 0.00 H new ATOM 1777 N TYR A 114 87.276 -21.899 -10.837 1.00 0.00 N ATOM 1778 CA TYR A 114 88.339 -22.834 -11.193 1.00 0.00 C ATOM 1779 C TYR A 114 88.356 -24.021 -10.231 1.00 0.00 C ATOM 1780 O TYR A 114 88.050 -23.820 -9.067 1.00 0.00 O ATOM 1781 CB TYR A 114 89.696 -22.121 -11.155 1.00 0.00 C ATOM 1782 CG TYR A 114 90.552 -22.601 -12.305 1.00 0.00 C ATOM 1783 CD1 TYR A 114 91.286 -23.789 -12.185 1.00 0.00 C ATOM 1784 CD2 TYR A 114 90.610 -21.860 -13.492 1.00 0.00 C ATOM 1785 CE1 TYR A 114 92.077 -24.232 -13.251 1.00 0.00 C ATOM 1786 CE2 TYR A 114 91.401 -22.304 -14.557 1.00 0.00 C ATOM 1787 CZ TYR A 114 92.135 -23.491 -14.437 1.00 0.00 C ATOM 1788 OH TYR A 114 92.915 -23.930 -15.488 1.00 0.00 O ATOM 1789 OXT TYR A 114 88.674 -25.112 -10.673 1.00 0.00 O ATOM 0 H TYR A 114 87.602 -20.986 -10.521 1.00 0.00 H new ATOM 0 HA TYR A 114 88.151 -23.203 -12.201 1.00 0.00 H new ATOM 0 HB2 TYR A 114 89.554 -21.042 -11.220 1.00 0.00 H new ATOM 0 HB3 TYR A 114 90.197 -22.320 -10.208 1.00 0.00 H new ATOM 0 HD1 TYR A 114 91.241 -24.362 -11.271 1.00 0.00 H new ATOM 0 HD2 TYR A 114 90.044 -20.945 -13.585 1.00 0.00 H new ATOM 0 HE1 TYR A 114 92.643 -25.147 -13.158 1.00 0.00 H new ATOM 0 HE2 TYR A 114 91.446 -21.732 -15.472 1.00 0.00 H new ATOM 0 HH TYR A 114 92.842 -23.300 -16.235 1.00 0.00 H new TER 1799 TYR A 114