USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 668 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 3 SER OG : rot 143:sc= -3.09! USER MOD Set 1.2: A 80 THR OG1 : rot 173:sc= 1.49 USER MOD Single : A 2 ASN : amide:sc= -1.21 K(o=-1.2,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 163:sc= 1.24 (180deg=0.274) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.0653 K(o=0.065,f=-1.4) USER MOD Single : A 25 HIS : no HD1:sc= 0.977 K(o=0.98,f=-5.7!) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= 1.25 (180deg=1.1) USER MOD Single : A 32 TYR OH : rot 30:sc= -0.0987 USER MOD Single : A 36 LYS NZ :NH3+ -155:sc= 1.12 (180deg=0.956) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -166:sc= 1.2 (180deg=0.997) USER MOD Single : A 45 THR OG1 : rot -150:sc=-0.00156 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -153:sc= 1.17 (180deg=0.327) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -153:sc= -0.582 (180deg=-1.06) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.294 K(o=-0.29,f=-1.1) USER MOD Single : A 88 THR OG1 : rot 77:sc= 1.14 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0.543 K(o=0.54,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 154:sc= -0.68 (180deg=-1.88!) USER MOD Single : A 98 LYS NZ :NH3+ -133:sc= -0.976 (180deg=-3.3!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 2 80.988 -10.696 -5.242 1.00 0.00 N ATOM 21 CA ASN A 2 82.044 -10.914 -6.222 1.00 0.00 C ATOM 22 C ASN A 2 82.587 -9.573 -6.693 1.00 0.00 C ATOM 23 O ASN A 2 81.990 -8.531 -6.420 1.00 0.00 O ATOM 24 CB ASN A 2 81.525 -11.732 -7.409 1.00 0.00 C ATOM 25 CG ASN A 2 81.293 -13.188 -7.049 1.00 0.00 C ATOM 26 OD1 ASN A 2 80.238 -13.551 -6.534 1.00 0.00 O ATOM 27 ND2 ASN A 2 82.273 -14.035 -7.324 1.00 0.00 N ATOM 0 HA ASN A 2 82.849 -11.480 -5.753 1.00 0.00 H new ATOM 0 HB2 ASN A 2 80.593 -11.296 -7.768 1.00 0.00 H new ATOM 0 HB3 ASN A 2 82.241 -11.673 -8.229 1.00 0.00 H new ATOM 0 HD21 ASN A 2 82.166 -15.026 -7.108 1.00 0.00 H new ATOM 0 HD22 ASN A 2 83.135 -13.696 -7.752 1.00 0.00 H new ATOM 34 N SER A 3 83.712 -9.596 -7.394 1.00 0.00 N ATOM 35 CA SER A 3 84.357 -8.369 -7.847 1.00 0.00 C ATOM 36 C SER A 3 83.483 -7.636 -8.857 1.00 0.00 C ATOM 37 O SER A 3 83.446 -6.405 -8.883 1.00 0.00 O ATOM 38 CB SER A 3 85.708 -8.698 -8.473 1.00 0.00 C ATOM 39 OG SER A 3 86.393 -9.664 -7.698 1.00 0.00 O ATOM 0 H SER A 3 84.198 -10.451 -7.662 1.00 0.00 H new ATOM 0 HA SER A 3 84.504 -7.718 -6.985 1.00 0.00 H new ATOM 0 HB2 SER A 3 85.564 -9.072 -9.487 1.00 0.00 H new ATOM 0 HB3 SER A 3 86.310 -7.792 -8.550 1.00 0.00 H new ATOM 0 HG SER A 3 86.878 -10.275 -8.291 1.00 0.00 H new ATOM 45 N GLU A 4 82.772 -8.404 -9.676 1.00 0.00 N ATOM 46 CA GLU A 4 81.891 -7.843 -10.692 1.00 0.00 C ATOM 47 C GLU A 4 80.834 -6.946 -10.048 1.00 0.00 C ATOM 48 O GLU A 4 80.539 -5.862 -10.550 1.00 0.00 O ATOM 49 CB GLU A 4 81.222 -8.971 -11.478 1.00 0.00 C ATOM 50 CG GLU A 4 80.428 -8.496 -12.681 1.00 0.00 C ATOM 51 CD GLU A 4 79.721 -9.629 -13.390 1.00 0.00 C ATOM 52 OE1 GLU A 4 80.374 -10.354 -14.169 1.00 0.00 O ATOM 53 OE2 GLU A 4 78.505 -9.803 -13.168 1.00 0.00 O ATOM 0 H GLU A 4 82.790 -9.424 -9.655 1.00 0.00 H new ATOM 0 HA GLU A 4 82.484 -7.236 -11.376 1.00 0.00 H new ATOM 0 HB2 GLU A 4 81.988 -9.670 -11.814 1.00 0.00 H new ATOM 0 HB3 GLU A 4 80.558 -9.521 -10.811 1.00 0.00 H new ATOM 0 HG2 GLU A 4 79.693 -7.758 -12.359 1.00 0.00 H new ATOM 0 HG3 GLU A 4 81.098 -7.995 -13.380 1.00 0.00 H new ATOM 60 N VAL A 5 80.294 -7.402 -8.918 1.00 0.00 N ATOM 61 CA VAL A 5 79.302 -6.637 -8.163 1.00 0.00 C ATOM 62 C VAL A 5 79.838 -5.254 -7.810 1.00 0.00 C ATOM 63 O VAL A 5 79.148 -4.248 -7.974 1.00 0.00 O ATOM 64 CB VAL A 5 78.904 -7.366 -6.859 1.00 0.00 C ATOM 65 CG1 VAL A 5 77.906 -6.545 -6.054 1.00 0.00 C ATOM 66 CG2 VAL A 5 78.336 -8.741 -7.166 1.00 0.00 C ATOM 0 H VAL A 5 80.529 -8.304 -8.503 1.00 0.00 H new ATOM 0 HA VAL A 5 78.423 -6.537 -8.799 1.00 0.00 H new ATOM 0 HB VAL A 5 79.804 -7.489 -6.257 1.00 0.00 H new ATOM 0 HG11 VAL A 5 77.644 -7.082 -5.142 1.00 0.00 H new ATOM 0 HG12 VAL A 5 78.351 -5.584 -5.794 1.00 0.00 H new ATOM 0 HG13 VAL A 5 77.007 -6.380 -6.648 1.00 0.00 H new ATOM 0 HG21 VAL A 5 78.062 -9.238 -6.235 1.00 0.00 H new ATOM 0 HG22 VAL A 5 77.452 -8.637 -7.796 1.00 0.00 H new ATOM 0 HG23 VAL A 5 79.085 -9.336 -7.688 1.00 0.00 H new ATOM 76 N ILE A 6 81.080 -5.217 -7.342 1.00 0.00 N ATOM 77 CA ILE A 6 81.713 -3.968 -6.948 1.00 0.00 C ATOM 78 C ILE A 6 81.849 -3.035 -8.147 1.00 0.00 C ATOM 79 O ILE A 6 81.559 -1.845 -8.051 1.00 0.00 O ATOM 80 CB ILE A 6 83.105 -4.214 -6.323 1.00 0.00 C ATOM 81 CG1 ILE A 6 82.984 -5.166 -5.130 1.00 0.00 C ATOM 82 CG2 ILE A 6 83.744 -2.897 -5.896 1.00 0.00 C ATOM 83 CD1 ILE A 6 84.311 -5.524 -4.497 1.00 0.00 C ATOM 0 H ILE A 6 81.669 -6.042 -7.227 1.00 0.00 H new ATOM 0 HA ILE A 6 81.075 -3.501 -6.198 1.00 0.00 H new ATOM 0 HB ILE A 6 83.748 -4.674 -7.074 1.00 0.00 H new ATOM 0 HG12 ILE A 6 82.344 -4.709 -4.376 1.00 0.00 H new ATOM 0 HG13 ILE A 6 82.489 -6.081 -5.456 1.00 0.00 H new ATOM 0 HG21 ILE A 6 84.723 -3.093 -5.459 1.00 0.00 H new ATOM 0 HG22 ILE A 6 83.858 -2.249 -6.765 1.00 0.00 H new ATOM 0 HG23 ILE A 6 83.109 -2.407 -5.159 1.00 0.00 H new ATOM 0 HD11 ILE A 6 84.144 -6.201 -3.659 1.00 0.00 H new ATOM 0 HD12 ILE A 6 84.947 -6.011 -5.236 1.00 0.00 H new ATOM 0 HD13 ILE A 6 84.800 -4.618 -4.139 1.00 0.00 H new ATOM 95 N LYS A 7 82.267 -3.593 -9.278 1.00 0.00 N ATOM 96 CA LYS A 7 82.431 -2.816 -10.503 1.00 0.00 C ATOM 97 C LYS A 7 81.103 -2.214 -10.943 1.00 0.00 C ATOM 98 O LYS A 7 81.025 -1.026 -11.265 1.00 0.00 O ATOM 99 CB LYS A 7 83.002 -3.691 -11.619 1.00 0.00 C ATOM 100 CG LYS A 7 84.344 -4.303 -11.273 1.00 0.00 C ATOM 101 CD LYS A 7 84.912 -5.107 -12.429 1.00 0.00 C ATOM 102 CE LYS A 7 86.276 -5.669 -12.079 1.00 0.00 C ATOM 103 NZ LYS A 7 86.948 -6.293 -13.247 1.00 0.00 N ATOM 0 H LYS A 7 82.499 -4.582 -9.373 1.00 0.00 H new ATOM 0 HA LYS A 7 83.129 -2.005 -10.297 1.00 0.00 H new ATOM 0 HB2 LYS A 7 82.294 -4.489 -11.844 1.00 0.00 H new ATOM 0 HB3 LYS A 7 83.106 -3.092 -12.524 1.00 0.00 H new ATOM 0 HG2 LYS A 7 85.044 -3.513 -11.001 1.00 0.00 H new ATOM 0 HG3 LYS A 7 84.236 -4.947 -10.401 1.00 0.00 H new ATOM 0 HD2 LYS A 7 84.232 -5.921 -12.679 1.00 0.00 H new ATOM 0 HD3 LYS A 7 84.991 -4.474 -13.313 1.00 0.00 H new ATOM 0 HE2 LYS A 7 86.905 -4.870 -11.685 1.00 0.00 H new ATOM 0 HE3 LYS A 7 86.168 -6.410 -11.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 87.963 -6.401 -13.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 86.530 -7.228 -13.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 86.822 -5.688 -14.084 1.00 0.00 H new ATOM 117 N GLU A 8 80.058 -3.035 -10.938 1.00 0.00 N ATOM 118 CA GLU A 8 78.725 -2.571 -11.293 1.00 0.00 C ATOM 119 C GLU A 8 78.276 -1.470 -10.336 1.00 0.00 C ATOM 120 O GLU A 8 77.817 -0.415 -10.769 1.00 0.00 O ATOM 121 CB GLU A 8 77.718 -3.726 -11.262 1.00 0.00 C ATOM 122 CG GLU A 8 78.056 -4.875 -12.202 1.00 0.00 C ATOM 123 CD GLU A 8 78.176 -4.442 -13.649 1.00 0.00 C ATOM 124 OE1 GLU A 8 77.154 -4.029 -14.242 1.00 0.00 O ATOM 125 OE2 GLU A 8 79.288 -4.528 -14.207 1.00 0.00 O ATOM 0 H GLU A 8 80.110 -4.024 -10.692 1.00 0.00 H new ATOM 0 HA GLU A 8 78.765 -2.172 -12.306 1.00 0.00 H new ATOM 0 HB2 GLU A 8 77.655 -4.111 -10.244 1.00 0.00 H new ATOM 0 HB3 GLU A 8 76.731 -3.340 -11.518 1.00 0.00 H new ATOM 0 HG2 GLU A 8 78.994 -5.331 -11.886 1.00 0.00 H new ATOM 0 HG3 GLU A 8 77.286 -5.642 -12.121 1.00 0.00 H new ATOM 132 N PHE A 9 78.442 -1.719 -9.039 1.00 0.00 N ATOM 133 CA PHE A 9 78.039 -0.769 -8.005 1.00 0.00 C ATOM 134 C PHE A 9 78.768 0.566 -8.161 1.00 0.00 C ATOM 135 O PHE A 9 78.183 1.630 -7.952 1.00 0.00 O ATOM 136 CB PHE A 9 78.305 -1.356 -6.614 1.00 0.00 C ATOM 137 CG PHE A 9 77.905 -0.451 -5.482 1.00 0.00 C ATOM 138 CD1 PHE A 9 76.569 -0.224 -5.197 1.00 0.00 C ATOM 139 CD2 PHE A 9 78.868 0.175 -4.703 1.00 0.00 C ATOM 140 CE1 PHE A 9 76.199 0.610 -4.159 1.00 0.00 C ATOM 141 CE2 PHE A 9 78.504 1.010 -3.664 1.00 0.00 C ATOM 142 CZ PHE A 9 77.167 1.227 -3.392 1.00 0.00 C ATOM 0 H PHE A 9 78.856 -2.578 -8.677 1.00 0.00 H new ATOM 0 HA PHE A 9 76.971 -0.584 -8.117 1.00 0.00 H new ATOM 0 HB2 PHE A 9 77.766 -2.299 -6.520 1.00 0.00 H new ATOM 0 HB3 PHE A 9 79.367 -1.585 -6.525 1.00 0.00 H new ATOM 0 HD1 PHE A 9 75.807 -0.704 -5.793 1.00 0.00 H new ATOM 0 HD2 PHE A 9 79.914 0.008 -4.911 1.00 0.00 H new ATOM 0 HE1 PHE A 9 75.153 0.779 -3.948 1.00 0.00 H new ATOM 0 HE2 PHE A 9 79.263 1.492 -3.066 1.00 0.00 H new ATOM 0 HZ PHE A 9 76.879 1.879 -2.580 1.00 0.00 H new ATOM 152 N LEU A 10 80.041 0.510 -8.534 1.00 0.00 N ATOM 153 CA LEU A 10 80.820 1.721 -8.749 1.00 0.00 C ATOM 154 C LEU A 10 80.265 2.510 -9.930 1.00 0.00 C ATOM 155 O LEU A 10 80.206 3.738 -9.896 1.00 0.00 O ATOM 156 CB LEU A 10 82.296 1.383 -8.971 1.00 0.00 C ATOM 157 CG LEU A 10 83.009 0.787 -7.754 1.00 0.00 C ATOM 158 CD1 LEU A 10 84.439 0.413 -8.102 1.00 0.00 C ATOM 159 CD2 LEU A 10 82.984 1.763 -6.590 1.00 0.00 C ATOM 0 H LEU A 10 80.553 -0.358 -8.693 1.00 0.00 H new ATOM 0 HA LEU A 10 80.744 2.341 -7.855 1.00 0.00 H new ATOM 0 HB2 LEU A 10 82.372 0.679 -9.800 1.00 0.00 H new ATOM 0 HB3 LEU A 10 82.820 2.290 -9.274 1.00 0.00 H new ATOM 0 HG LEU A 10 82.479 -0.118 -7.457 1.00 0.00 H new ATOM 0 HD11 LEU A 10 84.929 -0.009 -7.224 1.00 0.00 H new ATOM 0 HD12 LEU A 10 84.437 -0.324 -8.905 1.00 0.00 H new ATOM 0 HD13 LEU A 10 84.979 1.302 -8.426 1.00 0.00 H new ATOM 0 HD21 LEU A 10 83.495 1.322 -5.734 1.00 0.00 H new ATOM 0 HD22 LEU A 10 83.488 2.686 -6.878 1.00 0.00 H new ATOM 0 HD23 LEU A 10 81.951 1.983 -6.321 1.00 0.00 H new ATOM 171 N GLU A 11 79.830 1.800 -10.961 1.00 0.00 N ATOM 172 CA GLU A 11 79.208 2.437 -12.111 1.00 0.00 C ATOM 173 C GLU A 11 77.834 2.993 -11.728 1.00 0.00 C ATOM 174 O GLU A 11 77.419 4.041 -12.224 1.00 0.00 O ATOM 175 CB GLU A 11 79.096 1.450 -13.278 1.00 0.00 C ATOM 176 CG GLU A 11 78.514 2.062 -14.542 1.00 0.00 C ATOM 177 CD GLU A 11 78.691 1.176 -15.757 1.00 0.00 C ATOM 178 OE1 GLU A 11 77.947 0.183 -15.895 1.00 0.00 O ATOM 179 OE2 GLU A 11 79.570 1.484 -16.592 1.00 0.00 O ATOM 0 H GLU A 11 79.896 0.784 -11.024 1.00 0.00 H new ATOM 0 HA GLU A 11 79.835 3.268 -12.434 1.00 0.00 H new ATOM 0 HB2 GLU A 11 80.085 1.050 -13.501 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.474 0.609 -12.972 1.00 0.00 H new ATOM 0 HG2 GLU A 11 77.452 2.256 -14.391 1.00 0.00 H new ATOM 0 HG3 GLU A 11 78.991 3.025 -14.727 1.00 0.00 H new ATOM 186 N ASP A 12 77.148 2.293 -10.823 1.00 0.00 N ATOM 187 CA ASP A 12 75.860 2.755 -10.300 1.00 0.00 C ATOM 188 C ASP A 12 76.001 4.108 -9.616 1.00 0.00 C ATOM 189 O ASP A 12 75.171 4.997 -9.802 1.00 0.00 O ATOM 190 CB ASP A 12 75.269 1.749 -9.304 1.00 0.00 C ATOM 191 CG ASP A 12 74.513 0.618 -9.970 1.00 0.00 C ATOM 192 OD1 ASP A 12 73.338 0.820 -10.342 1.00 0.00 O ATOM 193 OD2 ASP A 12 75.075 -0.486 -10.103 1.00 0.00 O ATOM 0 H ASP A 12 77.463 1.403 -10.436 1.00 0.00 H new ATOM 0 HA ASP A 12 75.186 2.850 -11.152 1.00 0.00 H new ATOM 0 HB2 ASP A 12 76.074 1.332 -8.699 1.00 0.00 H new ATOM 0 HB3 ASP A 12 74.598 2.274 -8.624 1.00 0.00 H new ATOM 198 N ILE A 13 77.052 4.264 -8.817 1.00 0.00 N ATOM 199 CA ILE A 13 77.279 5.516 -8.102 1.00 0.00 C ATOM 200 C ILE A 13 78.036 6.521 -8.968 1.00 0.00 C ATOM 201 O ILE A 13 78.208 7.679 -8.587 1.00 0.00 O ATOM 202 CB ILE A 13 78.040 5.300 -6.775 1.00 0.00 C ATOM 203 CG1 ILE A 13 79.394 4.630 -7.025 1.00 0.00 C ATOM 204 CG2 ILE A 13 77.197 4.469 -5.816 1.00 0.00 C ATOM 205 CD1 ILE A 13 80.228 4.448 -5.774 1.00 0.00 C ATOM 0 H ILE A 13 77.756 3.545 -8.649 1.00 0.00 H new ATOM 0 HA ILE A 13 76.293 5.918 -7.868 1.00 0.00 H new ATOM 0 HB ILE A 13 78.227 6.273 -6.322 1.00 0.00 H new ATOM 0 HG12 ILE A 13 79.227 3.655 -7.484 1.00 0.00 H new ATOM 0 HG13 ILE A 13 79.957 5.227 -7.742 1.00 0.00 H new ATOM 0 HG21 ILE A 13 77.743 4.323 -4.884 1.00 0.00 H new ATOM 0 HG22 ILE A 13 76.261 4.989 -5.610 1.00 0.00 H new ATOM 0 HG23 ILE A 13 76.983 3.500 -6.266 1.00 0.00 H new ATOM 0 HD11 ILE A 13 81.171 3.967 -6.032 1.00 0.00 H new ATOM 0 HD12 ILE A 13 80.428 5.421 -5.325 1.00 0.00 H new ATOM 0 HD13 ILE A 13 79.686 3.825 -5.063 1.00 0.00 H new ATOM 217 N GLY A 14 78.493 6.067 -10.129 1.00 0.00 N ATOM 218 CA GLY A 14 79.128 6.957 -11.082 1.00 0.00 C ATOM 219 C GLY A 14 80.584 7.232 -10.764 1.00 0.00 C ATOM 220 O GLY A 14 81.121 8.275 -11.144 1.00 0.00 O ATOM 0 H GLY A 14 78.435 5.094 -10.428 1.00 0.00 H new ATOM 0 HA2 GLY A 14 79.056 6.522 -12.079 1.00 0.00 H new ATOM 0 HA3 GLY A 14 78.584 7.901 -11.106 1.00 0.00 H new ATOM 224 N GLU A 15 81.231 6.301 -10.082 1.00 0.00 N ATOM 225 CA GLU A 15 82.630 6.463 -9.723 1.00 0.00 C ATOM 226 C GLU A 15 83.508 5.555 -10.580 1.00 0.00 C ATOM 227 O GLU A 15 83.122 4.436 -10.914 1.00 0.00 O ATOM 228 CB GLU A 15 82.848 6.173 -8.232 1.00 0.00 C ATOM 229 CG GLU A 15 84.286 6.377 -7.764 1.00 0.00 C ATOM 230 CD GLU A 15 84.785 7.796 -7.980 1.00 0.00 C ATOM 231 OE1 GLU A 15 84.935 8.211 -9.147 1.00 0.00 O ATOM 232 OE2 GLU A 15 85.035 8.504 -6.985 1.00 0.00 O ATOM 0 H GLU A 15 80.811 5.427 -9.766 1.00 0.00 H new ATOM 0 HA GLU A 15 82.914 7.498 -9.912 1.00 0.00 H new ATOM 0 HB2 GLU A 15 82.192 6.817 -7.647 1.00 0.00 H new ATOM 0 HB3 GLU A 15 82.552 5.145 -8.025 1.00 0.00 H new ATOM 0 HG2 GLU A 15 84.356 6.130 -6.705 1.00 0.00 H new ATOM 0 HG3 GLU A 15 84.937 5.684 -8.296 1.00 0.00 H new ATOM 239 N ASP A 16 84.683 6.052 -10.933 1.00 0.00 N ATOM 240 CA ASP A 16 85.614 5.304 -11.768 1.00 0.00 C ATOM 241 C ASP A 16 86.722 4.713 -10.907 1.00 0.00 C ATOM 242 O ASP A 16 87.111 5.303 -9.897 1.00 0.00 O ATOM 243 CB ASP A 16 86.204 6.210 -12.851 1.00 0.00 C ATOM 244 CG ASP A 16 87.151 5.474 -13.775 1.00 0.00 C ATOM 245 OD1 ASP A 16 86.678 4.632 -14.569 1.00 0.00 O ATOM 246 OD2 ASP A 16 88.368 5.735 -13.717 1.00 0.00 O ATOM 0 H ASP A 16 85.017 6.974 -10.654 1.00 0.00 H new ATOM 0 HA ASP A 16 85.076 4.491 -12.256 1.00 0.00 H new ATOM 0 HB2 ASP A 16 85.394 6.643 -13.438 1.00 0.00 H new ATOM 0 HB3 ASP A 16 86.733 7.037 -12.378 1.00 0.00 H new ATOM 251 N TYR A 17 87.229 3.556 -11.303 1.00 0.00 N ATOM 252 CA TYR A 17 88.210 2.847 -10.499 1.00 0.00 C ATOM 253 C TYR A 17 89.516 2.641 -11.257 1.00 0.00 C ATOM 254 O TYR A 17 89.537 2.614 -12.488 1.00 0.00 O ATOM 255 CB TYR A 17 87.645 1.496 -10.039 1.00 0.00 C ATOM 256 CG TYR A 17 87.062 0.640 -11.148 1.00 0.00 C ATOM 257 CD1 TYR A 17 87.883 -0.012 -12.059 1.00 0.00 C ATOM 258 CD2 TYR A 17 85.688 0.472 -11.270 1.00 0.00 C ATOM 259 CE1 TYR A 17 87.353 -0.803 -13.057 1.00 0.00 C ATOM 260 CE2 TYR A 17 85.150 -0.317 -12.269 1.00 0.00 C ATOM 261 CZ TYR A 17 85.987 -0.952 -13.160 1.00 0.00 C ATOM 262 OH TYR A 17 85.461 -1.754 -14.148 1.00 0.00 O ATOM 0 H TYR A 17 86.978 3.089 -12.174 1.00 0.00 H new ATOM 0 HA TYR A 17 88.427 3.461 -9.625 1.00 0.00 H new ATOM 0 HB2 TYR A 17 88.439 0.935 -9.545 1.00 0.00 H new ATOM 0 HB3 TYR A 17 86.871 1.677 -9.293 1.00 0.00 H new ATOM 0 HD1 TYR A 17 88.954 0.102 -11.985 1.00 0.00 H new ATOM 0 HD2 TYR A 17 85.029 0.967 -10.572 1.00 0.00 H new ATOM 0 HE1 TYR A 17 88.007 -1.304 -13.756 1.00 0.00 H new ATOM 0 HE2 TYR A 17 84.080 -0.435 -12.351 1.00 0.00 H new ATOM 0 HH TYR A 17 84.483 -1.754 -14.084 1.00 0.00 H new ATOM 272 N ILE A 18 90.604 2.505 -10.512 1.00 0.00 N ATOM 273 CA ILE A 18 91.899 2.195 -11.098 1.00 0.00 C ATOM 274 C ILE A 18 92.193 0.714 -10.898 1.00 0.00 C ATOM 275 O ILE A 18 92.646 0.300 -9.829 1.00 0.00 O ATOM 276 CB ILE A 18 93.032 3.030 -10.462 1.00 0.00 C ATOM 277 CG1 ILE A 18 92.678 4.521 -10.497 1.00 0.00 C ATOM 278 CG2 ILE A 18 94.349 2.775 -11.186 1.00 0.00 C ATOM 279 CD1 ILE A 18 93.679 5.400 -9.783 1.00 0.00 C ATOM 0 H ILE A 18 90.615 2.605 -9.497 1.00 0.00 H new ATOM 0 HA ILE A 18 91.858 2.440 -12.159 1.00 0.00 H new ATOM 0 HB ILE A 18 93.147 2.727 -9.421 1.00 0.00 H new ATOM 0 HG12 ILE A 18 92.601 4.843 -11.536 1.00 0.00 H new ATOM 0 HG13 ILE A 18 91.696 4.663 -10.046 1.00 0.00 H new ATOM 0 HG21 ILE A 18 95.138 3.370 -10.727 1.00 0.00 H new ATOM 0 HG22 ILE A 18 94.604 1.718 -11.115 1.00 0.00 H new ATOM 0 HG23 ILE A 18 94.248 3.054 -12.235 1.00 0.00 H new ATOM 0 HD11 ILE A 18 93.362 6.441 -9.850 1.00 0.00 H new ATOM 0 HD12 ILE A 18 93.739 5.106 -8.735 1.00 0.00 H new ATOM 0 HD13 ILE A 18 94.658 5.288 -10.248 1.00 0.00 H new ATOM 291 N GLU A 19 91.910 -0.085 -11.908 1.00 0.00 N ATOM 292 CA GLU A 19 92.015 -1.527 -11.768 1.00 0.00 C ATOM 293 C GLU A 19 93.200 -2.090 -12.538 1.00 0.00 C ATOM 294 O GLU A 19 93.479 -1.693 -13.671 1.00 0.00 O ATOM 295 CB GLU A 19 90.731 -2.209 -12.238 1.00 0.00 C ATOM 296 CG GLU A 19 90.694 -3.697 -11.929 1.00 0.00 C ATOM 297 CD GLU A 19 89.466 -4.382 -12.483 1.00 0.00 C ATOM 298 OE1 GLU A 19 88.425 -3.710 -12.626 1.00 0.00 O ATOM 299 OE2 GLU A 19 89.535 -5.594 -12.785 1.00 0.00 O ATOM 0 H GLU A 19 91.608 0.235 -12.828 1.00 0.00 H new ATOM 0 HA GLU A 19 92.171 -1.732 -10.709 1.00 0.00 H new ATOM 0 HB2 GLU A 19 89.876 -1.725 -11.765 1.00 0.00 H new ATOM 0 HB3 GLU A 19 90.624 -2.065 -13.313 1.00 0.00 H new ATOM 0 HG2 GLU A 19 91.585 -4.171 -12.341 1.00 0.00 H new ATOM 0 HG3 GLU A 19 90.727 -3.840 -10.849 1.00 0.00 H new ATOM 306 N LEU A 20 93.891 -3.010 -11.890 1.00 0.00 N ATOM 307 CA LEU A 20 94.923 -3.810 -12.515 1.00 0.00 C ATOM 308 C LEU A 20 94.473 -5.263 -12.470 1.00 0.00 C ATOM 309 O LEU A 20 93.348 -5.540 -12.055 1.00 0.00 O ATOM 310 CB LEU A 20 96.258 -3.639 -11.782 1.00 0.00 C ATOM 311 CG LEU A 20 96.803 -2.209 -11.737 1.00 0.00 C ATOM 312 CD1 LEU A 20 98.080 -2.153 -10.914 1.00 0.00 C ATOM 313 CD2 LEU A 20 97.058 -1.687 -13.144 1.00 0.00 C ATOM 0 H LEU A 20 93.748 -3.224 -10.903 1.00 0.00 H new ATOM 0 HA LEU A 20 95.074 -3.491 -13.546 1.00 0.00 H new ATOM 0 HB2 LEU A 20 96.140 -3.997 -10.759 1.00 0.00 H new ATOM 0 HB3 LEU A 20 97.000 -4.278 -12.260 1.00 0.00 H new ATOM 0 HG LEU A 20 96.055 -1.573 -11.264 1.00 0.00 H new ATOM 0 HD11 LEU A 20 98.454 -1.129 -10.892 1.00 0.00 H new ATOM 0 HD12 LEU A 20 97.872 -2.485 -9.897 1.00 0.00 H new ATOM 0 HD13 LEU A 20 98.830 -2.804 -11.362 1.00 0.00 H new ATOM 0 HD21 LEU A 20 97.445 -0.669 -13.090 1.00 0.00 H new ATOM 0 HD22 LEU A 20 97.786 -2.326 -13.643 1.00 0.00 H new ATOM 0 HD23 LEU A 20 96.125 -1.691 -13.708 1.00 0.00 H new ATOM 325 N GLU A 21 95.331 -6.188 -12.874 1.00 0.00 N ATOM 326 CA GLU A 21 94.971 -7.601 -12.857 1.00 0.00 C ATOM 327 C GLU A 21 94.671 -8.068 -11.434 1.00 0.00 C ATOM 328 O GLU A 21 95.582 -8.253 -10.625 1.00 0.00 O ATOM 329 CB GLU A 21 96.081 -8.456 -13.470 1.00 0.00 C ATOM 330 CG GLU A 21 96.303 -8.187 -14.948 1.00 0.00 C ATOM 331 CD GLU A 21 97.261 -9.173 -15.581 1.00 0.00 C ATOM 332 OE1 GLU A 21 96.831 -10.305 -15.898 1.00 0.00 O ATOM 333 OE2 GLU A 21 98.440 -8.820 -15.777 1.00 0.00 O ATOM 0 H GLU A 21 96.272 -5.991 -13.214 1.00 0.00 H new ATOM 0 HA GLU A 21 94.071 -7.722 -13.459 1.00 0.00 H new ATOM 0 HB2 GLU A 21 97.011 -8.272 -12.931 1.00 0.00 H new ATOM 0 HB3 GLU A 21 95.836 -9.509 -13.333 1.00 0.00 H new ATOM 0 HG2 GLU A 21 95.347 -8.230 -15.469 1.00 0.00 H new ATOM 0 HG3 GLU A 21 96.691 -7.176 -15.075 1.00 0.00 H new ATOM 340 N ASN A 22 93.378 -8.217 -11.139 1.00 0.00 N ATOM 341 CA ASN A 22 92.902 -8.692 -9.834 1.00 0.00 C ATOM 342 C ASN A 22 93.201 -7.687 -8.723 1.00 0.00 C ATOM 343 O ASN A 22 93.249 -8.050 -7.546 1.00 0.00 O ATOM 344 CB ASN A 22 93.501 -10.064 -9.482 1.00 0.00 C ATOM 345 CG ASN A 22 92.918 -11.197 -10.311 1.00 0.00 C ATOM 346 OD1 ASN A 22 92.551 -11.015 -11.470 1.00 0.00 O ATOM 347 ND2 ASN A 22 92.816 -12.376 -9.716 1.00 0.00 N ATOM 0 H ASN A 22 92.628 -8.012 -11.799 1.00 0.00 H new ATOM 0 HA ASN A 22 91.820 -8.798 -9.914 1.00 0.00 H new ATOM 0 HB2 ASN A 22 94.581 -10.032 -9.629 1.00 0.00 H new ATOM 0 HB3 ASN A 22 93.330 -10.269 -8.425 1.00 0.00 H new ATOM 0 HD21 ASN A 22 92.422 -13.170 -10.221 1.00 0.00 H new ATOM 0 HD22 ASN A 22 93.131 -12.490 -8.753 1.00 0.00 H new ATOM 354 N GLU A 23 93.375 -6.424 -9.091 1.00 0.00 N ATOM 355 CA GLU A 23 93.582 -5.365 -8.109 1.00 0.00 C ATOM 356 C GLU A 23 92.734 -4.145 -8.429 1.00 0.00 C ATOM 357 O GLU A 23 92.958 -3.472 -9.430 1.00 0.00 O ATOM 358 CB GLU A 23 95.049 -4.939 -8.041 1.00 0.00 C ATOM 359 CG GLU A 23 95.906 -5.781 -7.115 1.00 0.00 C ATOM 360 CD GLU A 23 97.218 -5.098 -6.779 1.00 0.00 C ATOM 361 OE1 GLU A 23 97.368 -3.896 -7.103 1.00 0.00 O ATOM 362 OE2 GLU A 23 98.102 -5.751 -6.184 1.00 0.00 O ATOM 0 H GLU A 23 93.377 -6.107 -10.061 1.00 0.00 H new ATOM 0 HA GLU A 23 93.283 -5.774 -7.144 1.00 0.00 H new ATOM 0 HB2 GLU A 23 95.473 -4.979 -9.044 1.00 0.00 H new ATOM 0 HB3 GLU A 23 95.098 -3.900 -7.716 1.00 0.00 H new ATOM 0 HG2 GLU A 23 95.356 -5.983 -6.196 1.00 0.00 H new ATOM 0 HG3 GLU A 23 96.108 -6.744 -7.584 1.00 0.00 H new ATOM 369 N ILE A 24 91.781 -3.850 -7.567 1.00 0.00 N ATOM 370 CA ILE A 24 90.963 -2.659 -7.718 1.00 0.00 C ATOM 371 C ILE A 24 91.428 -1.597 -6.731 1.00 0.00 C ATOM 372 O ILE A 24 91.264 -1.745 -5.521 1.00 0.00 O ATOM 373 CB ILE A 24 89.463 -2.955 -7.493 1.00 0.00 C ATOM 374 CG1 ILE A 24 88.980 -4.039 -8.461 1.00 0.00 C ATOM 375 CG2 ILE A 24 88.640 -1.683 -7.663 1.00 0.00 C ATOM 376 CD1 ILE A 24 87.531 -4.433 -8.264 1.00 0.00 C ATOM 0 H ILE A 24 91.552 -4.419 -6.752 1.00 0.00 H new ATOM 0 HA ILE A 24 91.079 -2.301 -8.741 1.00 0.00 H new ATOM 0 HB ILE A 24 89.331 -3.319 -6.474 1.00 0.00 H new ATOM 0 HG12 ILE A 24 89.115 -3.686 -9.483 1.00 0.00 H new ATOM 0 HG13 ILE A 24 89.606 -4.923 -8.343 1.00 0.00 H new ATOM 0 HG21 ILE A 24 87.586 -1.908 -7.502 1.00 0.00 H new ATOM 0 HG22 ILE A 24 88.968 -0.938 -6.938 1.00 0.00 H new ATOM 0 HG23 ILE A 24 88.778 -1.293 -8.671 1.00 0.00 H new ATOM 0 HD11 ILE A 24 87.262 -5.205 -8.986 1.00 0.00 H new ATOM 0 HD12 ILE A 24 87.393 -4.817 -7.253 1.00 0.00 H new ATOM 0 HD13 ILE A 24 86.894 -3.561 -8.411 1.00 0.00 H new ATOM 388 N HIS A 25 92.041 -0.543 -7.243 1.00 0.00 N ATOM 389 CA HIS A 25 92.518 0.541 -6.396 1.00 0.00 C ATOM 390 C HIS A 25 91.449 1.617 -6.290 1.00 0.00 C ATOM 391 O HIS A 25 91.022 2.180 -7.301 1.00 0.00 O ATOM 392 CB HIS A 25 93.822 1.133 -6.950 1.00 0.00 C ATOM 393 CG HIS A 25 95.004 0.208 -6.859 1.00 0.00 C ATOM 394 ND1 HIS A 25 96.223 0.593 -6.342 1.00 0.00 N ATOM 395 CD2 HIS A 25 95.154 -1.088 -7.233 1.00 0.00 C ATOM 396 CE1 HIS A 25 97.067 -0.422 -6.399 1.00 0.00 C ATOM 397 NE2 HIS A 25 96.441 -1.453 -6.935 1.00 0.00 N ATOM 0 H HIS A 25 92.221 -0.413 -8.239 1.00 0.00 H new ATOM 0 HA HIS A 25 92.725 0.144 -5.402 1.00 0.00 H new ATOM 0 HB2 HIS A 25 93.669 1.408 -7.994 1.00 0.00 H new ATOM 0 HB3 HIS A 25 94.050 2.051 -6.409 1.00 0.00 H new ATOM 0 HD2 HIS A 25 94.399 -1.716 -7.682 1.00 0.00 H new ATOM 0 HE1 HIS A 25 98.094 -0.410 -6.064 1.00 0.00 H new ATOM 0 HE2 HIS A 25 96.849 -2.373 -7.101 1.00 0.00 H new ATOM 406 N LEU A 26 91.003 1.885 -5.070 1.00 0.00 N ATOM 407 CA LEU A 26 89.925 2.836 -4.846 1.00 0.00 C ATOM 408 C LEU A 26 90.333 3.928 -3.872 1.00 0.00 C ATOM 409 O LEU A 26 91.226 3.744 -3.043 1.00 0.00 O ATOM 410 CB LEU A 26 88.675 2.124 -4.320 1.00 0.00 C ATOM 411 CG LEU A 26 87.945 1.246 -5.336 1.00 0.00 C ATOM 412 CD1 LEU A 26 86.738 0.579 -4.694 1.00 0.00 C ATOM 413 CD2 LEU A 26 87.517 2.071 -6.539 1.00 0.00 C ATOM 0 H LEU A 26 91.372 1.457 -4.221 1.00 0.00 H new ATOM 0 HA LEU A 26 89.701 3.299 -5.807 1.00 0.00 H new ATOM 0 HB2 LEU A 26 88.961 1.505 -3.469 1.00 0.00 H new ATOM 0 HB3 LEU A 26 87.979 2.876 -3.948 1.00 0.00 H new ATOM 0 HG LEU A 26 88.630 0.468 -5.675 1.00 0.00 H new ATOM 0 HD11 LEU A 26 86.230 -0.042 -5.432 1.00 0.00 H new ATOM 0 HD12 LEU A 26 87.066 -0.042 -3.861 1.00 0.00 H new ATOM 0 HD13 LEU A 26 86.052 1.343 -4.329 1.00 0.00 H new ATOM 0 HD21 LEU A 26 86.999 1.431 -7.253 1.00 0.00 H new ATOM 0 HD22 LEU A 26 86.848 2.868 -6.214 1.00 0.00 H new ATOM 0 HD23 LEU A 26 88.397 2.506 -7.013 1.00 0.00 H new ATOM 425 N LYS A 27 89.664 5.067 -3.986 1.00 0.00 N ATOM 426 CA LYS A 27 89.877 6.191 -3.087 1.00 0.00 C ATOM 427 C LYS A 27 89.428 5.811 -1.684 1.00 0.00 C ATOM 428 O LYS A 27 88.368 5.214 -1.524 1.00 0.00 O ATOM 429 CB LYS A 27 89.062 7.396 -3.557 1.00 0.00 C ATOM 430 CG LYS A 27 89.249 7.732 -5.024 1.00 0.00 C ATOM 431 CD LYS A 27 88.221 8.752 -5.482 1.00 0.00 C ATOM 432 CE LYS A 27 88.350 9.054 -6.964 1.00 0.00 C ATOM 433 NZ LYS A 27 87.282 9.973 -7.431 1.00 0.00 N ATOM 0 H LYS A 27 88.959 5.237 -4.704 1.00 0.00 H new ATOM 0 HA LYS A 27 90.937 6.446 -3.084 1.00 0.00 H new ATOM 0 HB2 LYS A 27 88.006 7.202 -3.371 1.00 0.00 H new ATOM 0 HB3 LYS A 27 89.337 8.264 -2.958 1.00 0.00 H new ATOM 0 HG2 LYS A 27 90.253 8.124 -5.186 1.00 0.00 H new ATOM 0 HG3 LYS A 27 89.160 6.826 -5.623 1.00 0.00 H new ATOM 0 HD2 LYS A 27 87.219 8.378 -5.273 1.00 0.00 H new ATOM 0 HD3 LYS A 27 88.343 9.673 -4.911 1.00 0.00 H new ATOM 0 HE2 LYS A 27 89.325 9.499 -7.161 1.00 0.00 H new ATOM 0 HE3 LYS A 27 88.303 8.124 -7.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 87.253 9.971 -8.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 86.364 9.656 -7.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 87.480 10.936 -7.092 1.00 0.00 H new ATOM 447 N PRO A 28 90.213 6.157 -0.651 1.00 0.00 N ATOM 448 CA PRO A 28 89.861 5.848 0.740 1.00 0.00 C ATOM 449 C PRO A 28 88.495 6.414 1.112 1.00 0.00 C ATOM 450 O PRO A 28 87.746 5.816 1.886 1.00 0.00 O ATOM 451 CB PRO A 28 90.963 6.532 1.555 1.00 0.00 C ATOM 452 CG PRO A 28 92.107 6.675 0.609 1.00 0.00 C ATOM 453 CD PRO A 28 91.500 6.868 -0.753 1.00 0.00 C ATOM 0 HA PRO A 28 89.795 4.775 0.919 1.00 0.00 H new ATOM 0 HB2 PRO A 28 90.635 7.502 1.927 1.00 0.00 H new ATOM 0 HB3 PRO A 28 91.241 5.935 2.423 1.00 0.00 H new ATOM 0 HG2 PRO A 28 92.733 7.525 0.881 1.00 0.00 H new ATOM 0 HG3 PRO A 28 92.743 5.790 0.630 1.00 0.00 H new ATOM 0 HD2 PRO A 28 91.360 7.924 -0.986 1.00 0.00 H new ATOM 0 HD3 PRO A 28 92.130 6.450 -1.538 1.00 0.00 H new ATOM 461 N GLU A 29 88.178 7.562 0.523 1.00 0.00 N ATOM 462 CA GLU A 29 86.913 8.243 0.761 1.00 0.00 C ATOM 463 C GLU A 29 85.734 7.378 0.315 1.00 0.00 C ATOM 464 O GLU A 29 84.736 7.257 1.026 1.00 0.00 O ATOM 465 CB GLU A 29 86.919 9.577 0.016 1.00 0.00 C ATOM 466 CG GLU A 29 85.676 10.422 0.218 1.00 0.00 C ATOM 467 CD GLU A 29 85.821 11.797 -0.394 1.00 0.00 C ATOM 468 OE1 GLU A 29 85.663 11.927 -1.628 1.00 0.00 O ATOM 469 OE2 GLU A 29 86.118 12.752 0.352 1.00 0.00 O ATOM 0 H GLU A 29 88.792 8.046 -0.133 1.00 0.00 H new ATOM 0 HA GLU A 29 86.798 8.425 1.830 1.00 0.00 H new ATOM 0 HB2 GLU A 29 87.788 10.152 0.335 1.00 0.00 H new ATOM 0 HB3 GLU A 29 87.040 9.382 -1.050 1.00 0.00 H new ATOM 0 HG2 GLU A 29 84.818 9.917 -0.225 1.00 0.00 H new ATOM 0 HG3 GLU A 29 85.473 10.519 1.284 1.00 0.00 H new ATOM 476 N VAL A 30 85.864 6.766 -0.855 1.00 0.00 N ATOM 477 CA VAL A 30 84.820 5.895 -1.386 1.00 0.00 C ATOM 478 C VAL A 30 84.919 4.506 -0.756 1.00 0.00 C ATOM 479 O VAL A 30 83.909 3.846 -0.504 1.00 0.00 O ATOM 480 CB VAL A 30 84.923 5.766 -2.926 1.00 0.00 C ATOM 481 CG1 VAL A 30 83.780 4.927 -3.481 1.00 0.00 C ATOM 482 CG2 VAL A 30 84.946 7.139 -3.586 1.00 0.00 C ATOM 0 H VAL A 30 86.683 6.856 -1.456 1.00 0.00 H new ATOM 0 HA VAL A 30 83.858 6.344 -1.138 1.00 0.00 H new ATOM 0 HB VAL A 30 85.860 5.259 -3.156 1.00 0.00 H new ATOM 0 HG11 VAL A 30 83.876 4.852 -4.564 1.00 0.00 H new ATOM 0 HG12 VAL A 30 83.815 3.929 -3.044 1.00 0.00 H new ATOM 0 HG13 VAL A 30 82.829 5.398 -3.233 1.00 0.00 H new ATOM 0 HG21 VAL A 30 85.019 7.022 -4.667 1.00 0.00 H new ATOM 0 HG22 VAL A 30 84.030 7.676 -3.340 1.00 0.00 H new ATOM 0 HG23 VAL A 30 85.806 7.703 -3.224 1.00 0.00 H new ATOM 492 N PHE A 31 86.152 4.091 -0.483 1.00 0.00 N ATOM 493 CA PHE A 31 86.443 2.765 0.056 1.00 0.00 C ATOM 494 C PHE A 31 85.676 2.500 1.346 1.00 0.00 C ATOM 495 O PHE A 31 85.196 1.393 1.563 1.00 0.00 O ATOM 496 CB PHE A 31 87.949 2.629 0.304 1.00 0.00 C ATOM 497 CG PHE A 31 88.382 1.267 0.772 1.00 0.00 C ATOM 498 CD1 PHE A 31 88.435 0.967 2.124 1.00 0.00 C ATOM 499 CD2 PHE A 31 88.753 0.294 -0.140 1.00 0.00 C ATOM 500 CE1 PHE A 31 88.847 -0.278 2.556 1.00 0.00 C ATOM 501 CE2 PHE A 31 89.169 -0.951 0.285 1.00 0.00 C ATOM 502 CZ PHE A 31 89.215 -1.239 1.636 1.00 0.00 C ATOM 0 H PHE A 31 86.981 4.666 -0.630 1.00 0.00 H new ATOM 0 HA PHE A 31 86.122 2.025 -0.677 1.00 0.00 H new ATOM 0 HB2 PHE A 31 88.480 2.869 -0.618 1.00 0.00 H new ATOM 0 HB3 PHE A 31 88.251 3.368 1.047 1.00 0.00 H new ATOM 0 HD1 PHE A 31 88.151 1.716 2.848 1.00 0.00 H new ATOM 0 HD2 PHE A 31 88.716 0.512 -1.197 1.00 0.00 H new ATOM 0 HE1 PHE A 31 88.881 -0.500 3.612 1.00 0.00 H new ATOM 0 HE2 PHE A 31 89.458 -1.700 -0.437 1.00 0.00 H new ATOM 0 HZ PHE A 31 89.538 -2.214 1.971 1.00 0.00 H new ATOM 512 N TYR A 32 85.559 3.517 2.194 1.00 0.00 N ATOM 513 CA TYR A 32 84.876 3.365 3.476 1.00 0.00 C ATOM 514 C TYR A 32 83.430 2.906 3.279 1.00 0.00 C ATOM 515 O TYR A 32 82.923 2.078 4.037 1.00 0.00 O ATOM 516 CB TYR A 32 84.915 4.678 4.263 1.00 0.00 C ATOM 517 CG TYR A 32 84.329 4.573 5.656 1.00 0.00 C ATOM 518 CD1 TYR A 32 84.936 3.787 6.627 1.00 0.00 C ATOM 519 CD2 TYR A 32 83.173 5.263 6.000 1.00 0.00 C ATOM 520 CE1 TYR A 32 84.407 3.689 7.900 1.00 0.00 C ATOM 521 CE2 TYR A 32 82.638 5.171 7.272 1.00 0.00 C ATOM 522 CZ TYR A 32 83.260 4.384 8.219 1.00 0.00 C ATOM 523 OH TYR A 32 82.727 4.284 9.488 1.00 0.00 O ATOM 0 H TYR A 32 85.926 4.452 2.019 1.00 0.00 H new ATOM 0 HA TYR A 32 85.400 2.598 4.047 1.00 0.00 H new ATOM 0 HB2 TYR A 32 85.949 5.015 4.338 1.00 0.00 H new ATOM 0 HB3 TYR A 32 84.371 5.441 3.706 1.00 0.00 H new ATOM 0 HD1 TYR A 32 85.837 3.243 6.383 1.00 0.00 H new ATOM 0 HD2 TYR A 32 82.684 5.881 5.262 1.00 0.00 H new ATOM 0 HE1 TYR A 32 84.890 3.070 8.642 1.00 0.00 H new ATOM 0 HE2 TYR A 32 81.738 5.713 7.523 1.00 0.00 H new ATOM 0 HH TYR A 32 83.446 4.121 10.133 1.00 0.00 H new ATOM 533 N GLU A 33 82.779 3.428 2.247 1.00 0.00 N ATOM 534 CA GLU A 33 81.399 3.064 1.961 1.00 0.00 C ATOM 535 C GLU A 33 81.330 1.720 1.243 1.00 0.00 C ATOM 536 O GLU A 33 80.406 0.939 1.462 1.00 0.00 O ATOM 537 CB GLU A 33 80.715 4.152 1.133 1.00 0.00 C ATOM 538 CG GLU A 33 80.591 5.475 1.870 1.00 0.00 C ATOM 539 CD GLU A 33 79.871 6.534 1.063 1.00 0.00 C ATOM 540 OE1 GLU A 33 78.629 6.627 1.169 1.00 0.00 O ATOM 541 OE2 GLU A 33 80.544 7.286 0.331 1.00 0.00 O ATOM 0 H GLU A 33 83.183 4.102 1.597 1.00 0.00 H new ATOM 0 HA GLU A 33 80.870 2.970 2.909 1.00 0.00 H new ATOM 0 HB2 GLU A 33 81.278 4.307 0.213 1.00 0.00 H new ATOM 0 HB3 GLU A 33 79.721 3.809 0.845 1.00 0.00 H new ATOM 0 HG2 GLU A 33 80.058 5.314 2.807 1.00 0.00 H new ATOM 0 HG3 GLU A 33 81.587 5.836 2.128 1.00 0.00 H new ATOM 548 N VAL A 34 82.321 1.446 0.399 1.00 0.00 N ATOM 549 CA VAL A 34 82.409 0.158 -0.284 1.00 0.00 C ATOM 550 C VAL A 34 82.628 -0.959 0.733 1.00 0.00 C ATOM 551 O VAL A 34 82.005 -2.018 0.656 1.00 0.00 O ATOM 552 CB VAL A 34 83.551 0.138 -1.327 1.00 0.00 C ATOM 553 CG1 VAL A 34 83.655 -1.226 -1.998 1.00 0.00 C ATOM 554 CG2 VAL A 34 83.339 1.225 -2.370 1.00 0.00 C ATOM 0 H VAL A 34 83.073 2.097 0.172 1.00 0.00 H new ATOM 0 HA VAL A 34 81.468 0.001 -0.811 1.00 0.00 H new ATOM 0 HB VAL A 34 84.488 0.332 -0.804 1.00 0.00 H new ATOM 0 HG11 VAL A 34 84.466 -1.212 -2.727 1.00 0.00 H new ATOM 0 HG12 VAL A 34 83.857 -1.988 -1.245 1.00 0.00 H new ATOM 0 HG13 VAL A 34 82.717 -1.455 -2.503 1.00 0.00 H new ATOM 0 HG21 VAL A 34 84.152 1.196 -3.096 1.00 0.00 H new ATOM 0 HG22 VAL A 34 82.390 1.059 -2.881 1.00 0.00 H new ATOM 0 HG23 VAL A 34 83.323 2.199 -1.882 1.00 0.00 H new ATOM 564 N TRP A 35 83.506 -0.694 1.694 1.00 0.00 N ATOM 565 CA TRP A 35 83.790 -1.625 2.779 1.00 0.00 C ATOM 566 C TRP A 35 82.512 -1.957 3.544 1.00 0.00 C ATOM 567 O TRP A 35 82.269 -3.110 3.899 1.00 0.00 O ATOM 568 CB TRP A 35 84.842 -1.012 3.713 1.00 0.00 C ATOM 569 CG TRP A 35 85.185 -1.854 4.904 1.00 0.00 C ATOM 570 CD1 TRP A 35 85.603 -3.154 4.903 1.00 0.00 C ATOM 571 CD2 TRP A 35 85.167 -1.438 6.274 1.00 0.00 C ATOM 572 NE1 TRP A 35 85.831 -3.576 6.192 1.00 0.00 N ATOM 573 CE2 TRP A 35 85.575 -2.539 7.050 1.00 0.00 C ATOM 574 CE3 TRP A 35 84.841 -0.241 6.921 1.00 0.00 C ATOM 575 CZ2 TRP A 35 85.662 -2.479 8.439 1.00 0.00 C ATOM 576 CZ3 TRP A 35 84.933 -0.182 8.299 1.00 0.00 C ATOM 577 CH2 TRP A 35 85.344 -1.294 9.044 1.00 0.00 C ATOM 0 H TRP A 35 84.041 0.173 1.742 1.00 0.00 H new ATOM 0 HA TRP A 35 84.183 -2.554 2.365 1.00 0.00 H new ATOM 0 HB2 TRP A 35 85.752 -0.826 3.142 1.00 0.00 H new ATOM 0 HB3 TRP A 35 84.480 -0.044 4.061 1.00 0.00 H new ATOM 0 HD1 TRP A 35 85.735 -3.761 4.020 1.00 0.00 H new ATOM 0 HE1 TRP A 35 86.140 -4.509 6.465 1.00 0.00 H new ATOM 0 HE3 TRP A 35 84.523 0.621 6.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 85.970 -3.337 9.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 84.684 0.737 8.809 1.00 0.00 H new ATOM 0 HH2 TRP A 35 85.411 -1.215 10.119 1.00 0.00 H new ATOM 588 N LYS A 36 81.689 -0.945 3.774 1.00 0.00 N ATOM 589 CA LYS A 36 80.409 -1.144 4.436 1.00 0.00 C ATOM 590 C LYS A 36 79.447 -1.920 3.539 1.00 0.00 C ATOM 591 O LYS A 36 78.768 -2.842 3.995 1.00 0.00 O ATOM 592 CB LYS A 36 79.794 0.200 4.829 1.00 0.00 C ATOM 593 CG LYS A 36 80.494 0.874 5.997 1.00 0.00 C ATOM 594 CD LYS A 36 80.434 0.002 7.239 1.00 0.00 C ATOM 595 CE LYS A 36 80.908 0.744 8.476 1.00 0.00 C ATOM 596 NZ LYS A 36 80.667 -0.047 9.709 1.00 0.00 N ATOM 0 H LYS A 36 81.884 0.021 3.512 1.00 0.00 H new ATOM 0 HA LYS A 36 80.584 -1.728 5.340 1.00 0.00 H new ATOM 0 HB2 LYS A 36 79.820 0.867 3.967 1.00 0.00 H new ATOM 0 HB3 LYS A 36 78.745 0.049 5.084 1.00 0.00 H new ATOM 0 HG2 LYS A 36 81.534 1.074 5.737 1.00 0.00 H new ATOM 0 HG3 LYS A 36 80.026 1.837 6.201 1.00 0.00 H new ATOM 0 HD2 LYS A 36 79.411 -0.342 7.392 1.00 0.00 H new ATOM 0 HD3 LYS A 36 81.050 -0.885 7.090 1.00 0.00 H new ATOM 0 HE2 LYS A 36 81.972 0.963 8.385 1.00 0.00 H new ATOM 0 HE3 LYS A 36 80.390 1.701 8.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 80.591 0.595 10.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 79.783 -0.585 9.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 81.458 -0.705 9.859 1.00 0.00 H new ATOM 610 N TYR A 37 79.409 -1.552 2.264 1.00 0.00 N ATOM 611 CA TYR A 37 78.510 -2.176 1.298 1.00 0.00 C ATOM 612 C TYR A 37 78.784 -3.674 1.146 1.00 0.00 C ATOM 613 O TYR A 37 77.851 -4.473 1.064 1.00 0.00 O ATOM 614 CB TYR A 37 78.631 -1.484 -0.065 1.00 0.00 C ATOM 615 CG TYR A 37 77.863 -2.178 -1.169 1.00 0.00 C ATOM 616 CD1 TYR A 37 76.483 -2.050 -1.273 1.00 0.00 C ATOM 617 CD2 TYR A 37 78.519 -2.976 -2.099 1.00 0.00 C ATOM 618 CE1 TYR A 37 75.780 -2.695 -2.273 1.00 0.00 C ATOM 619 CE2 TYR A 37 77.822 -3.626 -3.100 1.00 0.00 C ATOM 620 CZ TYR A 37 76.455 -3.482 -3.182 1.00 0.00 C ATOM 621 OH TYR A 37 75.760 -4.134 -4.173 1.00 0.00 O ATOM 0 H TYR A 37 79.997 -0.817 1.871 1.00 0.00 H new ATOM 0 HA TYR A 37 77.495 -2.060 1.677 1.00 0.00 H new ATOM 0 HB2 TYR A 37 78.274 -0.458 0.025 1.00 0.00 H new ATOM 0 HB3 TYR A 37 79.683 -1.431 -0.344 1.00 0.00 H new ATOM 0 HD1 TYR A 37 75.951 -1.436 -0.561 1.00 0.00 H new ATOM 0 HD2 TYR A 37 79.591 -3.090 -2.038 1.00 0.00 H new ATOM 0 HE1 TYR A 37 74.708 -2.583 -2.342 1.00 0.00 H new ATOM 0 HE2 TYR A 37 78.347 -4.244 -3.814 1.00 0.00 H new ATOM 0 HH TYR A 37 76.385 -4.645 -4.729 1.00 0.00 H new ATOM 631 N VAL A 38 80.057 -4.054 1.119 1.00 0.00 N ATOM 632 CA VAL A 38 80.427 -5.449 0.878 1.00 0.00 C ATOM 633 C VAL A 38 80.219 -6.327 2.114 1.00 0.00 C ATOM 634 O VAL A 38 80.552 -7.513 2.104 1.00 0.00 O ATOM 635 CB VAL A 38 81.887 -5.581 0.391 1.00 0.00 C ATOM 636 CG1 VAL A 38 82.076 -4.855 -0.931 1.00 0.00 C ATOM 637 CG2 VAL A 38 82.865 -5.062 1.434 1.00 0.00 C ATOM 0 H VAL A 38 80.846 -3.423 1.259 1.00 0.00 H new ATOM 0 HA VAL A 38 79.761 -5.801 0.091 1.00 0.00 H new ATOM 0 HB VAL A 38 82.095 -6.640 0.237 1.00 0.00 H new ATOM 0 HG11 VAL A 38 83.110 -4.959 -1.258 1.00 0.00 H new ATOM 0 HG12 VAL A 38 81.413 -5.286 -1.681 1.00 0.00 H new ATOM 0 HG13 VAL A 38 81.840 -3.799 -0.803 1.00 0.00 H new ATOM 0 HG21 VAL A 38 83.884 -5.168 1.062 1.00 0.00 H new ATOM 0 HG22 VAL A 38 82.660 -4.010 1.634 1.00 0.00 H new ATOM 0 HG23 VAL A 38 82.753 -5.635 2.355 1.00 0.00 H new ATOM 647 N GLY A 39 79.663 -5.748 3.173 1.00 0.00 N ATOM 648 CA GLY A 39 79.332 -6.528 4.351 1.00 0.00 C ATOM 649 C GLY A 39 80.280 -6.289 5.507 1.00 0.00 C ATOM 650 O GLY A 39 80.110 -6.874 6.578 1.00 0.00 O ATOM 0 H GLY A 39 79.436 -4.756 3.237 1.00 0.00 H new ATOM 0 HA2 GLY A 39 78.317 -6.287 4.666 1.00 0.00 H new ATOM 0 HA3 GLY A 39 79.343 -7.587 4.093 1.00 0.00 H new ATOM 654 N GLU A 40 81.269 -5.426 5.289 1.00 0.00 N ATOM 655 CA GLU A 40 82.268 -5.095 6.305 1.00 0.00 C ATOM 656 C GLU A 40 83.039 -6.344 6.754 1.00 0.00 C ATOM 657 O GLU A 40 82.784 -6.896 7.827 1.00 0.00 O ATOM 658 CB GLU A 40 81.604 -4.401 7.505 1.00 0.00 C ATOM 659 CG GLU A 40 82.579 -3.963 8.587 1.00 0.00 C ATOM 660 CD GLU A 40 81.879 -3.404 9.806 1.00 0.00 C ATOM 661 OE1 GLU A 40 81.145 -4.163 10.475 1.00 0.00 O ATOM 662 OE2 GLU A 40 82.047 -2.201 10.097 1.00 0.00 O ATOM 0 H GLU A 40 81.402 -4.936 4.404 1.00 0.00 H new ATOM 0 HA GLU A 40 82.986 -4.405 5.861 1.00 0.00 H new ATOM 0 HB2 GLU A 40 81.057 -3.528 7.149 1.00 0.00 H new ATOM 0 HB3 GLU A 40 80.872 -5.079 7.944 1.00 0.00 H new ATOM 0 HG2 GLU A 40 83.194 -4.813 8.883 1.00 0.00 H new ATOM 0 HG3 GLU A 40 83.252 -3.208 8.181 1.00 0.00 H new ATOM 669 N PRO A 41 83.965 -6.831 5.911 1.00 0.00 N ATOM 670 CA PRO A 41 84.813 -7.969 6.242 1.00 0.00 C ATOM 671 C PRO A 41 86.129 -7.537 6.889 1.00 0.00 C ATOM 672 O PRO A 41 86.356 -6.345 7.124 1.00 0.00 O ATOM 673 CB PRO A 41 85.065 -8.588 4.871 1.00 0.00 C ATOM 674 CG PRO A 41 85.083 -7.428 3.928 1.00 0.00 C ATOM 675 CD PRO A 41 84.247 -6.333 4.554 1.00 0.00 C ATOM 0 HA PRO A 41 84.356 -8.645 6.965 1.00 0.00 H new ATOM 0 HB2 PRO A 41 86.010 -9.131 4.849 1.00 0.00 H new ATOM 0 HB3 PRO A 41 84.283 -9.300 4.608 1.00 0.00 H new ATOM 0 HG2 PRO A 41 86.104 -7.085 3.759 1.00 0.00 H new ATOM 0 HG3 PRO A 41 84.678 -7.714 2.957 1.00 0.00 H new ATOM 0 HD2 PRO A 41 84.785 -5.386 4.580 1.00 0.00 H new ATOM 0 HD3 PRO A 41 83.328 -6.162 3.993 1.00 0.00 H new ATOM 683 N GLU A 42 86.994 -8.505 7.162 1.00 0.00 N ATOM 684 CA GLU A 42 88.298 -8.223 7.746 1.00 0.00 C ATOM 685 C GLU A 42 89.219 -7.572 6.722 1.00 0.00 C ATOM 686 O GLU A 42 89.287 -7.998 5.568 1.00 0.00 O ATOM 687 CB GLU A 42 88.941 -9.505 8.281 1.00 0.00 C ATOM 688 CG GLU A 42 88.264 -10.061 9.524 1.00 0.00 C ATOM 689 CD GLU A 42 88.367 -9.124 10.709 1.00 0.00 C ATOM 690 OE1 GLU A 42 89.494 -8.914 11.211 1.00 0.00 O ATOM 691 OE2 GLU A 42 87.328 -8.595 11.152 1.00 0.00 O ATOM 0 H GLU A 42 86.815 -9.494 6.988 1.00 0.00 H new ATOM 0 HA GLU A 42 88.150 -7.531 8.575 1.00 0.00 H new ATOM 0 HB2 GLU A 42 88.922 -10.264 7.498 1.00 0.00 H new ATOM 0 HB3 GLU A 42 89.989 -9.307 8.507 1.00 0.00 H new ATOM 0 HG2 GLU A 42 87.213 -10.252 9.307 1.00 0.00 H new ATOM 0 HG3 GLU A 42 88.716 -11.019 9.782 1.00 0.00 H new ATOM 698 N LEU A 43 89.923 -6.538 7.151 1.00 0.00 N ATOM 699 CA LEU A 43 90.846 -5.830 6.282 1.00 0.00 C ATOM 700 C LEU A 43 92.271 -6.311 6.514 1.00 0.00 C ATOM 701 O LEU A 43 92.686 -6.524 7.656 1.00 0.00 O ATOM 702 CB LEU A 43 90.751 -4.325 6.525 1.00 0.00 C ATOM 703 CG LEU A 43 89.416 -3.688 6.141 1.00 0.00 C ATOM 704 CD1 LEU A 43 89.403 -2.220 6.528 1.00 0.00 C ATOM 705 CD2 LEU A 43 89.160 -3.846 4.650 1.00 0.00 C ATOM 0 H LEU A 43 89.872 -6.169 8.101 1.00 0.00 H new ATOM 0 HA LEU A 43 90.575 -6.037 5.247 1.00 0.00 H new ATOM 0 HB2 LEU A 43 90.938 -4.131 7.581 1.00 0.00 H new ATOM 0 HB3 LEU A 43 91.545 -3.832 5.965 1.00 0.00 H new ATOM 0 HG LEU A 43 88.620 -4.198 6.683 1.00 0.00 H new ATOM 0 HD11 LEU A 43 88.446 -1.779 6.249 1.00 0.00 H new ATOM 0 HD12 LEU A 43 89.545 -2.126 7.605 1.00 0.00 H new ATOM 0 HD13 LEU A 43 90.208 -1.700 6.009 1.00 0.00 H new ATOM 0 HD21 LEU A 43 88.205 -3.387 4.394 1.00 0.00 H new ATOM 0 HD22 LEU A 43 89.958 -3.359 4.090 1.00 0.00 H new ATOM 0 HD23 LEU A 43 89.133 -4.906 4.396 1.00 0.00 H new ATOM 717 N LYS A 44 93.010 -6.489 5.432 1.00 0.00 N ATOM 718 CA LYS A 44 94.388 -6.945 5.511 1.00 0.00 C ATOM 719 C LYS A 44 95.321 -5.877 4.958 1.00 0.00 C ATOM 720 O LYS A 44 95.017 -5.241 3.952 1.00 0.00 O ATOM 721 CB LYS A 44 94.556 -8.260 4.748 1.00 0.00 C ATOM 722 CG LYS A 44 93.750 -9.405 5.340 1.00 0.00 C ATOM 723 CD LYS A 44 93.854 -10.670 4.505 1.00 0.00 C ATOM 724 CE LYS A 44 93.087 -11.815 5.149 1.00 0.00 C ATOM 725 NZ LYS A 44 93.087 -13.039 4.305 1.00 0.00 N ATOM 0 H LYS A 44 92.676 -6.323 4.482 1.00 0.00 H new ATOM 0 HA LYS A 44 94.645 -7.122 6.555 1.00 0.00 H new ATOM 0 HB2 LYS A 44 94.256 -8.111 3.711 1.00 0.00 H new ATOM 0 HB3 LYS A 44 95.611 -8.534 4.738 1.00 0.00 H new ATOM 0 HG2 LYS A 44 94.101 -9.609 6.352 1.00 0.00 H new ATOM 0 HG3 LYS A 44 92.704 -9.108 5.419 1.00 0.00 H new ATOM 0 HD2 LYS A 44 93.463 -10.483 3.505 1.00 0.00 H new ATOM 0 HD3 LYS A 44 94.901 -10.949 4.390 1.00 0.00 H new ATOM 0 HE2 LYS A 44 93.528 -12.045 6.119 1.00 0.00 H new ATOM 0 HE3 LYS A 44 92.059 -11.503 5.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 92.370 -13.704 4.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 92.867 -12.782 3.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 94.024 -13.488 4.344 1.00 0.00 H new ATOM 739 N THR A 45 96.440 -5.671 5.624 1.00 0.00 N ATOM 740 CA THR A 45 97.378 -4.636 5.234 1.00 0.00 C ATOM 741 C THR A 45 98.608 -5.226 4.555 1.00 0.00 C ATOM 742 O THR A 45 99.033 -6.338 4.875 1.00 0.00 O ATOM 743 CB THR A 45 97.814 -3.814 6.459 1.00 0.00 C ATOM 744 OG1 THR A 45 98.152 -4.695 7.541 1.00 0.00 O ATOM 745 CG2 THR A 45 96.708 -2.866 6.899 1.00 0.00 C ATOM 0 H THR A 45 96.723 -6.210 6.442 1.00 0.00 H new ATOM 0 HA THR A 45 96.869 -3.986 4.523 1.00 0.00 H new ATOM 0 HB THR A 45 98.687 -3.223 6.181 1.00 0.00 H new ATOM 0 HG1 THR A 45 97.966 -4.251 8.395 1.00 0.00 H new ATOM 0 HG21 THR A 45 97.041 -2.296 7.767 1.00 0.00 H new ATOM 0 HG22 THR A 45 96.470 -2.181 6.085 1.00 0.00 H new ATOM 0 HG23 THR A 45 95.819 -3.440 7.161 1.00 0.00 H new ATOM 753 N TYR A 46 99.172 -4.485 3.613 1.00 0.00 N ATOM 754 CA TYR A 46 100.399 -4.900 2.956 1.00 0.00 C ATOM 755 C TYR A 46 101.408 -3.758 2.999 1.00 0.00 C ATOM 756 O TYR A 46 101.028 -2.590 3.121 1.00 0.00 O ATOM 757 CB TYR A 46 100.135 -5.339 1.507 1.00 0.00 C ATOM 758 CG TYR A 46 100.026 -4.203 0.509 1.00 0.00 C ATOM 759 CD1 TYR A 46 98.886 -3.413 0.435 1.00 0.00 C ATOM 760 CD2 TYR A 46 101.072 -3.927 -0.363 1.00 0.00 C ATOM 761 CE1 TYR A 46 98.793 -2.381 -0.479 1.00 0.00 C ATOM 762 CE2 TYR A 46 100.986 -2.898 -1.278 1.00 0.00 C ATOM 763 CZ TYR A 46 99.846 -2.126 -1.332 1.00 0.00 C ATOM 764 OH TYR A 46 99.759 -1.096 -2.242 1.00 0.00 O ATOM 0 H TYR A 46 98.798 -3.593 3.287 1.00 0.00 H new ATOM 0 HA TYR A 46 100.806 -5.760 3.487 1.00 0.00 H new ATOM 0 HB2 TYR A 46 100.938 -6.005 1.192 1.00 0.00 H new ATOM 0 HB3 TYR A 46 99.212 -5.918 1.480 1.00 0.00 H new ATOM 0 HD1 TYR A 46 98.060 -3.608 1.102 1.00 0.00 H new ATOM 0 HD2 TYR A 46 101.968 -4.529 -0.324 1.00 0.00 H new ATOM 0 HE1 TYR A 46 97.899 -1.777 -0.525 1.00 0.00 H new ATOM 0 HE2 TYR A 46 101.809 -2.699 -1.949 1.00 0.00 H new ATOM 0 HH TYR A 46 100.586 -1.051 -2.765 1.00 0.00 H new ATOM 774 N VAL A 47 102.682 -4.092 2.904 1.00 0.00 N ATOM 775 CA VAL A 47 103.729 -3.092 3.000 1.00 0.00 C ATOM 776 C VAL A 47 104.295 -2.762 1.624 1.00 0.00 C ATOM 777 O VAL A 47 105.040 -3.552 1.036 1.00 0.00 O ATOM 778 CB VAL A 47 104.872 -3.555 3.927 1.00 0.00 C ATOM 779 CG1 VAL A 47 105.886 -2.439 4.130 1.00 0.00 C ATOM 780 CG2 VAL A 47 104.320 -4.030 5.263 1.00 0.00 C ATOM 0 H VAL A 47 103.016 -5.045 2.761 1.00 0.00 H new ATOM 0 HA VAL A 47 103.276 -2.197 3.427 1.00 0.00 H new ATOM 0 HB VAL A 47 105.380 -4.393 3.450 1.00 0.00 H new ATOM 0 HG11 VAL A 47 106.683 -2.787 4.787 1.00 0.00 H new ATOM 0 HG12 VAL A 47 106.308 -2.152 3.167 1.00 0.00 H new ATOM 0 HG13 VAL A 47 105.394 -1.578 4.582 1.00 0.00 H new ATOM 0 HG21 VAL A 47 105.142 -4.352 5.902 1.00 0.00 H new ATOM 0 HG22 VAL A 47 103.783 -3.213 5.746 1.00 0.00 H new ATOM 0 HG23 VAL A 47 103.639 -4.865 5.099 1.00 0.00 H new ATOM 790 N ILE A 48 103.923 -1.603 1.108 1.00 0.00 N ATOM 791 CA ILE A 48 104.468 -1.118 -0.145 1.00 0.00 C ATOM 792 C ILE A 48 105.630 -0.173 0.139 1.00 0.00 C ATOM 793 O ILE A 48 105.445 0.980 0.531 1.00 0.00 O ATOM 794 CB ILE A 48 103.392 -0.424 -1.025 1.00 0.00 C ATOM 795 CG1 ILE A 48 104.043 0.249 -2.241 1.00 0.00 C ATOM 796 CG2 ILE A 48 102.578 0.580 -0.218 1.00 0.00 C ATOM 797 CD1 ILE A 48 103.054 0.919 -3.173 1.00 0.00 C ATOM 0 H ILE A 48 103.242 -0.979 1.541 1.00 0.00 H new ATOM 0 HA ILE A 48 104.827 -1.976 -0.713 1.00 0.00 H new ATOM 0 HB ILE A 48 102.705 -1.191 -1.383 1.00 0.00 H new ATOM 0 HG12 ILE A 48 104.760 0.992 -1.892 1.00 0.00 H new ATOM 0 HG13 ILE A 48 104.605 -0.499 -2.800 1.00 0.00 H new ATOM 0 HG21 ILE A 48 101.834 1.048 -0.863 1.00 0.00 H new ATOM 0 HG22 ILE A 48 102.076 0.066 0.602 1.00 0.00 H new ATOM 0 HG23 ILE A 48 103.241 1.345 0.186 1.00 0.00 H new ATOM 0 HD11 ILE A 48 103.590 1.372 -4.007 1.00 0.00 H new ATOM 0 HD12 ILE A 48 102.351 0.177 -3.552 1.00 0.00 H new ATOM 0 HD13 ILE A 48 102.508 1.691 -2.630 1.00 0.00 H new ATOM 809 N GLU A 49 106.832 -0.691 -0.012 1.00 0.00 N ATOM 810 CA GLU A 49 108.028 0.074 0.273 1.00 0.00 C ATOM 811 C GLU A 49 108.423 0.890 -0.946 1.00 0.00 C ATOM 812 O GLU A 49 109.097 0.399 -1.853 1.00 0.00 O ATOM 813 CB GLU A 49 109.150 -0.865 0.709 1.00 0.00 C ATOM 814 CG GLU A 49 108.765 -1.707 1.915 1.00 0.00 C ATOM 815 CD GLU A 49 109.761 -2.801 2.222 1.00 0.00 C ATOM 816 OE1 GLU A 49 109.761 -3.825 1.512 1.00 0.00 O ATOM 817 OE2 GLU A 49 110.536 -2.655 3.186 1.00 0.00 O ATOM 0 H GLU A 49 107.006 -1.644 -0.332 1.00 0.00 H new ATOM 0 HA GLU A 49 107.834 0.768 1.091 1.00 0.00 H new ATOM 0 HB2 GLU A 49 109.413 -1.522 -0.120 1.00 0.00 H new ATOM 0 HB3 GLU A 49 110.038 -0.280 0.947 1.00 0.00 H new ATOM 0 HG2 GLU A 49 108.668 -1.059 2.786 1.00 0.00 H new ATOM 0 HG3 GLU A 49 107.787 -2.154 1.740 1.00 0.00 H new ATOM 1177 N LYS A 72 108.586 2.601 3.866 1.00 0.00 N ATOM 1178 CA LYS A 72 107.707 1.457 4.045 1.00 0.00 C ATOM 1179 C LYS A 72 106.281 1.934 4.309 1.00 0.00 C ATOM 1180 O LYS A 72 105.916 2.238 5.446 1.00 0.00 O ATOM 1181 CB LYS A 72 108.186 0.574 5.201 1.00 0.00 C ATOM 1182 CG LYS A 72 109.650 0.170 5.111 1.00 0.00 C ATOM 1183 CD LYS A 72 110.010 -0.829 6.199 1.00 0.00 C ATOM 1184 CE LYS A 72 111.509 -1.080 6.282 1.00 0.00 C ATOM 1185 NZ LYS A 72 112.084 -1.546 4.993 1.00 0.00 N ATOM 0 HA LYS A 72 107.726 0.863 3.131 1.00 0.00 H new ATOM 0 HB2 LYS A 72 108.024 1.104 6.140 1.00 0.00 H new ATOM 0 HB3 LYS A 72 107.573 -0.327 5.234 1.00 0.00 H new ATOM 0 HG2 LYS A 72 109.851 -0.266 4.132 1.00 0.00 H new ATOM 0 HG3 LYS A 72 110.281 1.054 5.202 1.00 0.00 H new ATOM 0 HD2 LYS A 72 109.652 -0.460 7.160 1.00 0.00 H new ATOM 0 HD3 LYS A 72 109.496 -1.771 6.008 1.00 0.00 H new ATOM 0 HE2 LYS A 72 112.011 -0.162 6.588 1.00 0.00 H new ATOM 0 HE3 LYS A 72 111.707 -1.824 7.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 112.932 -2.119 5.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 111.381 -2.122 4.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 112.342 -0.724 4.410 1.00 0.00 H new ATOM 1199 N ILE A 73 105.493 2.031 3.248 1.00 0.00 N ATOM 1200 CA ILE A 73 104.123 2.505 3.359 1.00 0.00 C ATOM 1201 C ILE A 73 103.176 1.335 3.583 1.00 0.00 C ATOM 1202 O ILE A 73 103.212 0.343 2.860 1.00 0.00 O ATOM 1203 CB ILE A 73 103.692 3.284 2.096 1.00 0.00 C ATOM 1204 CG1 ILE A 73 104.682 4.417 1.808 1.00 0.00 C ATOM 1205 CG2 ILE A 73 102.282 3.838 2.265 1.00 0.00 C ATOM 1206 CD1 ILE A 73 104.390 5.177 0.530 1.00 0.00 C ATOM 0 H ILE A 73 105.780 1.787 2.300 1.00 0.00 H new ATOM 0 HA ILE A 73 104.076 3.181 4.213 1.00 0.00 H new ATOM 0 HB ILE A 73 103.692 2.598 1.249 1.00 0.00 H new ATOM 0 HG12 ILE A 73 104.673 5.116 2.645 1.00 0.00 H new ATOM 0 HG13 ILE A 73 105.688 4.001 1.750 1.00 0.00 H new ATOM 0 HG21 ILE A 73 101.995 4.384 1.366 1.00 0.00 H new ATOM 0 HG22 ILE A 73 101.585 3.016 2.428 1.00 0.00 H new ATOM 0 HG23 ILE A 73 102.256 4.511 3.122 1.00 0.00 H new ATOM 0 HD11 ILE A 73 105.134 5.962 0.396 1.00 0.00 H new ATOM 0 HD12 ILE A 73 104.428 4.492 -0.317 1.00 0.00 H new ATOM 0 HD13 ILE A 73 103.398 5.624 0.591 1.00 0.00 H new ATOM 1218 N LYS A 74 102.335 1.450 4.592 1.00 0.00 N ATOM 1219 CA LYS A 74 101.403 0.391 4.925 1.00 0.00 C ATOM 1220 C LYS A 74 100.001 0.751 4.443 1.00 0.00 C ATOM 1221 O LYS A 74 99.380 1.688 4.949 1.00 0.00 O ATOM 1222 CB LYS A 74 101.420 0.155 6.436 1.00 0.00 C ATOM 1223 CG LYS A 74 100.596 -1.031 6.905 1.00 0.00 C ATOM 1224 CD LYS A 74 100.833 -1.287 8.382 1.00 0.00 C ATOM 1225 CE LYS A 74 99.961 -2.405 8.920 1.00 0.00 C ATOM 1226 NZ LYS A 74 100.235 -2.669 10.356 1.00 0.00 N ATOM 0 H LYS A 74 102.278 2.269 5.197 1.00 0.00 H new ATOM 0 HA LYS A 74 101.703 -0.529 4.424 1.00 0.00 H new ATOM 0 HB2 LYS A 74 102.452 0.011 6.755 1.00 0.00 H new ATOM 0 HB3 LYS A 74 101.054 1.053 6.934 1.00 0.00 H new ATOM 0 HG2 LYS A 74 99.538 -0.840 6.727 1.00 0.00 H new ATOM 0 HG3 LYS A 74 100.861 -1.917 6.328 1.00 0.00 H new ATOM 0 HD2 LYS A 74 101.882 -1.539 8.541 1.00 0.00 H new ATOM 0 HD3 LYS A 74 100.636 -0.373 8.943 1.00 0.00 H new ATOM 0 HE2 LYS A 74 98.911 -2.142 8.792 1.00 0.00 H new ATOM 0 HE3 LYS A 74 100.135 -3.313 8.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 99.621 -3.439 10.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 101.231 -2.944 10.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 100.045 -1.809 10.909 1.00 0.00 H new ATOM 1240 N LYS A 75 99.520 0.024 3.444 1.00 0.00 N ATOM 1241 CA LYS A 75 98.191 0.258 2.897 1.00 0.00 C ATOM 1242 C LYS A 75 97.304 -0.950 3.161 1.00 0.00 C ATOM 1243 O LYS A 75 97.798 -2.011 3.547 1.00 0.00 O ATOM 1244 CB LYS A 75 98.267 0.570 1.398 1.00 0.00 C ATOM 1245 CG LYS A 75 99.074 1.823 1.079 1.00 0.00 C ATOM 1246 CD LYS A 75 98.933 2.226 -0.381 1.00 0.00 C ATOM 1247 CE LYS A 75 99.833 3.405 -0.736 1.00 0.00 C ATOM 1248 NZ LYS A 75 99.564 4.603 0.111 1.00 0.00 N ATOM 0 H LYS A 75 100.032 -0.735 2.995 1.00 0.00 H new ATOM 0 HA LYS A 75 97.753 1.125 3.392 1.00 0.00 H new ATOM 0 HB2 LYS A 75 98.711 -0.280 0.880 1.00 0.00 H new ATOM 0 HB3 LYS A 75 97.256 0.689 1.008 1.00 0.00 H new ATOM 0 HG2 LYS A 75 98.741 2.642 1.716 1.00 0.00 H new ATOM 0 HG3 LYS A 75 100.125 1.647 1.308 1.00 0.00 H new ATOM 0 HD2 LYS A 75 99.180 1.376 -1.017 1.00 0.00 H new ATOM 0 HD3 LYS A 75 97.895 2.487 -0.587 1.00 0.00 H new ATOM 0 HE2 LYS A 75 100.876 3.109 -0.621 1.00 0.00 H new ATOM 0 HE3 LYS A 75 99.689 3.665 -1.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 99.823 5.464 -0.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 98.553 4.636 0.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 100.128 4.545 0.983 1.00 0.00 H new ATOM 1262 N VAL A 76 96.005 -0.795 2.962 1.00 0.00 N ATOM 1263 CA VAL A 76 95.053 -1.826 3.346 1.00 0.00 C ATOM 1264 C VAL A 76 94.206 -2.269 2.154 1.00 0.00 C ATOM 1265 O VAL A 76 93.929 -1.480 1.249 1.00 0.00 O ATOM 1266 CB VAL A 76 94.140 -1.331 4.495 1.00 0.00 C ATOM 1267 CG1 VAL A 76 93.270 -0.165 4.046 1.00 0.00 C ATOM 1268 CG2 VAL A 76 93.286 -2.462 5.045 1.00 0.00 C ATOM 0 H VAL A 76 95.586 0.033 2.538 1.00 0.00 H new ATOM 0 HA VAL A 76 95.623 -2.686 3.698 1.00 0.00 H new ATOM 0 HB VAL A 76 94.787 -0.977 5.298 1.00 0.00 H new ATOM 0 HG11 VAL A 76 92.641 0.160 4.875 1.00 0.00 H new ATOM 0 HG12 VAL A 76 93.905 0.661 3.727 1.00 0.00 H new ATOM 0 HG13 VAL A 76 92.640 -0.480 3.214 1.00 0.00 H new ATOM 0 HG21 VAL A 76 92.656 -2.084 5.850 1.00 0.00 H new ATOM 0 HG22 VAL A 76 92.657 -2.863 4.250 1.00 0.00 H new ATOM 0 HG23 VAL A 76 93.932 -3.251 5.430 1.00 0.00 H new ATOM 1278 N TYR A 77 93.819 -3.536 2.155 1.00 0.00 N ATOM 1279 CA TYR A 77 92.980 -4.092 1.107 1.00 0.00 C ATOM 1280 C TYR A 77 92.040 -5.143 1.689 1.00 0.00 C ATOM 1281 O TYR A 77 92.250 -5.624 2.806 1.00 0.00 O ATOM 1282 CB TYR A 77 93.845 -4.728 0.008 1.00 0.00 C ATOM 1283 CG TYR A 77 94.642 -5.935 0.467 1.00 0.00 C ATOM 1284 CD1 TYR A 77 94.096 -7.214 0.414 1.00 0.00 C ATOM 1285 CD2 TYR A 77 95.934 -5.797 0.957 1.00 0.00 C ATOM 1286 CE1 TYR A 77 94.814 -8.315 0.836 1.00 0.00 C ATOM 1287 CE2 TYR A 77 96.658 -6.895 1.382 1.00 0.00 C ATOM 1288 CZ TYR A 77 96.093 -8.151 1.320 1.00 0.00 C ATOM 1289 OH TYR A 77 96.807 -9.248 1.747 1.00 0.00 O ATOM 0 H TYR A 77 94.077 -4.205 2.880 1.00 0.00 H new ATOM 0 HA TYR A 77 92.392 -3.284 0.672 1.00 0.00 H new ATOM 0 HB2 TYR A 77 93.201 -5.025 -0.820 1.00 0.00 H new ATOM 0 HB3 TYR A 77 94.534 -3.976 -0.378 1.00 0.00 H new ATOM 0 HD1 TYR A 77 93.093 -7.348 0.036 1.00 0.00 H new ATOM 0 HD2 TYR A 77 96.381 -4.815 1.007 1.00 0.00 H new ATOM 0 HE1 TYR A 77 94.375 -9.300 0.787 1.00 0.00 H new ATOM 0 HE2 TYR A 77 97.662 -6.770 1.761 1.00 0.00 H new ATOM 0 HH TYR A 77 97.691 -8.962 2.058 1.00 0.00 H new ATOM 1299 N PHE A 78 91.007 -5.494 0.941 1.00 0.00 N ATOM 1300 CA PHE A 78 90.178 -6.634 1.296 1.00 0.00 C ATOM 1301 C PHE A 78 90.056 -7.562 0.097 1.00 0.00 C ATOM 1302 O PHE A 78 90.219 -7.133 -1.050 1.00 0.00 O ATOM 1303 CB PHE A 78 88.793 -6.211 1.816 1.00 0.00 C ATOM 1304 CG PHE A 78 87.890 -5.551 0.806 1.00 0.00 C ATOM 1305 CD1 PHE A 78 87.099 -6.313 -0.041 1.00 0.00 C ATOM 1306 CD2 PHE A 78 87.813 -4.173 0.722 1.00 0.00 C ATOM 1307 CE1 PHE A 78 86.252 -5.710 -0.950 1.00 0.00 C ATOM 1308 CE2 PHE A 78 86.970 -3.564 -0.188 1.00 0.00 C ATOM 1309 CZ PHE A 78 86.187 -4.334 -1.024 1.00 0.00 C ATOM 0 H PHE A 78 90.724 -5.009 0.089 1.00 0.00 H new ATOM 0 HA PHE A 78 90.662 -7.164 2.116 1.00 0.00 H new ATOM 0 HB2 PHE A 78 88.287 -7.094 2.207 1.00 0.00 H new ATOM 0 HB3 PHE A 78 88.933 -5.527 2.653 1.00 0.00 H new ATOM 0 HD1 PHE A 78 87.146 -7.391 0.011 1.00 0.00 H new ATOM 0 HD2 PHE A 78 88.420 -3.565 1.376 1.00 0.00 H new ATOM 0 HE1 PHE A 78 85.641 -6.316 -1.603 1.00 0.00 H new ATOM 0 HE2 PHE A 78 86.924 -2.486 -0.245 1.00 0.00 H new ATOM 0 HZ PHE A 78 85.525 -3.861 -1.734 1.00 0.00 H new ATOM 1319 N GLU A 79 89.789 -8.827 0.365 1.00 0.00 N ATOM 1320 CA GLU A 79 89.738 -9.834 -0.681 1.00 0.00 C ATOM 1321 C GLU A 79 88.293 -10.161 -1.030 1.00 0.00 C ATOM 1322 O GLU A 79 87.449 -10.288 -0.145 1.00 0.00 O ATOM 1323 CB GLU A 79 90.456 -11.101 -0.217 1.00 0.00 C ATOM 1324 CG GLU A 79 91.849 -10.849 0.337 1.00 0.00 C ATOM 1325 CD GLU A 79 92.458 -12.086 0.962 1.00 0.00 C ATOM 1326 OE1 GLU A 79 91.924 -12.565 1.979 1.00 0.00 O ATOM 1327 OE2 GLU A 79 93.485 -12.579 0.451 1.00 0.00 O ATOM 0 H GLU A 79 89.603 -9.183 1.302 1.00 0.00 H new ATOM 0 HA GLU A 79 90.235 -9.442 -1.569 1.00 0.00 H new ATOM 0 HB2 GLU A 79 89.853 -11.589 0.549 1.00 0.00 H new ATOM 0 HB3 GLU A 79 90.528 -11.794 -1.055 1.00 0.00 H new ATOM 0 HG2 GLU A 79 92.497 -10.495 -0.465 1.00 0.00 H new ATOM 0 HG3 GLU A 79 91.802 -10.055 1.082 1.00 0.00 H new ATOM 1334 N THR A 80 88.007 -10.279 -2.315 1.00 0.00 N ATOM 1335 CA THR A 80 86.684 -10.675 -2.756 1.00 0.00 C ATOM 1336 C THR A 80 86.611 -12.190 -2.884 1.00 0.00 C ATOM 1337 O THR A 80 87.635 -12.876 -2.839 1.00 0.00 O ATOM 1338 CB THR A 80 86.319 -10.036 -4.113 1.00 0.00 C ATOM 1339 OG1 THR A 80 87.200 -10.514 -5.139 1.00 0.00 O ATOM 1340 CG2 THR A 80 86.397 -8.519 -4.039 1.00 0.00 C ATOM 0 H THR A 80 88.672 -10.106 -3.069 1.00 0.00 H new ATOM 0 HA THR A 80 85.972 -10.325 -2.009 1.00 0.00 H new ATOM 0 HB THR A 80 85.295 -10.320 -4.354 1.00 0.00 H new ATOM 0 HG1 THR A 80 86.895 -10.186 -6.011 1.00 0.00 H new ATOM 0 HG21 THR A 80 86.135 -8.094 -5.008 1.00 0.00 H new ATOM 0 HG22 THR A 80 85.701 -8.155 -3.283 1.00 0.00 H new ATOM 0 HG23 THR A 80 87.411 -8.219 -3.773 1.00 0.00 H new ATOM 1348 N LEU A 81 85.406 -12.712 -3.061 1.00 0.00 N ATOM 1349 CA LEU A 81 85.224 -14.137 -3.306 1.00 0.00 C ATOM 1350 C LEU A 81 85.443 -14.435 -4.787 1.00 0.00 C ATOM 1351 O LEU A 81 85.028 -15.471 -5.298 1.00 0.00 O ATOM 1352 CB LEU A 81 83.820 -14.599 -2.882 1.00 0.00 C ATOM 1353 CG LEU A 81 83.524 -14.554 -1.377 1.00 0.00 C ATOM 1354 CD1 LEU A 81 83.306 -13.126 -0.900 1.00 0.00 C ATOM 1355 CD2 LEU A 81 82.312 -15.411 -1.051 1.00 0.00 C ATOM 0 H LEU A 81 84.541 -12.172 -3.040 1.00 0.00 H new ATOM 0 HA LEU A 81 85.955 -14.683 -2.710 1.00 0.00 H new ATOM 0 HB2 LEU A 81 83.085 -13.980 -3.396 1.00 0.00 H new ATOM 0 HB3 LEU A 81 83.675 -15.622 -3.230 1.00 0.00 H new ATOM 0 HG LEU A 81 84.391 -14.955 -0.852 1.00 0.00 H new ATOM 0 HD11 LEU A 81 83.098 -13.128 0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 81 84.202 -12.536 -1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 81 82.461 -12.689 -1.433 1.00 0.00 H new ATOM 0 HD21 LEU A 81 82.114 -15.369 0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 81 81.445 -15.037 -1.595 1.00 0.00 H new ATOM 0 HD23 LEU A 81 82.506 -16.443 -1.344 1.00 0.00 H new ATOM 1367 N ASP A 82 86.111 -13.510 -5.463 1.00 0.00 N ATOM 1368 CA ASP A 82 86.354 -13.618 -6.893 1.00 0.00 C ATOM 1369 C ASP A 82 87.852 -13.469 -7.179 1.00 0.00 C ATOM 1370 O ASP A 82 88.275 -13.338 -8.326 1.00 0.00 O ATOM 1371 CB ASP A 82 85.530 -12.550 -7.621 1.00 0.00 C ATOM 1372 CG ASP A 82 85.614 -12.638 -9.131 1.00 0.00 C ATOM 1373 OD1 ASP A 82 85.193 -13.667 -9.694 1.00 0.00 O ATOM 1374 OD2 ASP A 82 86.080 -11.661 -9.751 1.00 0.00 O ATOM 0 H ASP A 82 86.498 -12.668 -5.037 1.00 0.00 H new ATOM 0 HA ASP A 82 86.046 -14.598 -7.256 1.00 0.00 H new ATOM 0 HB2 ASP A 82 84.487 -12.640 -7.318 1.00 0.00 H new ATOM 0 HB3 ASP A 82 85.869 -11.564 -7.304 1.00 0.00 H new ATOM 1379 N ASN A 83 88.642 -13.497 -6.102 1.00 0.00 N ATOM 1380 CA ASN A 83 90.113 -13.499 -6.176 1.00 0.00 C ATOM 1381 C ASN A 83 90.674 -12.123 -6.560 1.00 0.00 C ATOM 1382 O ASN A 83 91.824 -12.002 -6.984 1.00 0.00 O ATOM 1383 CB ASN A 83 90.603 -14.571 -7.161 1.00 0.00 C ATOM 1384 CG ASN A 83 92.089 -14.855 -7.037 1.00 0.00 C ATOM 1385 OD1 ASN A 83 92.657 -14.790 -5.947 1.00 0.00 O ATOM 1386 ND2 ASN A 83 92.728 -15.163 -8.155 1.00 0.00 N ATOM 0 H ASN A 83 88.281 -13.519 -5.148 1.00 0.00 H new ATOM 0 HA ASN A 83 90.485 -13.736 -5.179 1.00 0.00 H new ATOM 0 HB2 ASN A 83 90.047 -15.493 -6.992 1.00 0.00 H new ATOM 0 HB3 ASN A 83 90.384 -14.249 -8.179 1.00 0.00 H new ATOM 0 HD21 ASN A 83 93.729 -15.357 -8.133 1.00 0.00 H new ATOM 0 HD22 ASN A 83 92.219 -15.206 -9.038 1.00 0.00 H new ATOM 1393 N VAL A 84 89.879 -11.083 -6.382 1.00 0.00 N ATOM 1394 CA VAL A 84 90.336 -9.731 -6.668 1.00 0.00 C ATOM 1395 C VAL A 84 90.513 -8.944 -5.373 1.00 0.00 C ATOM 1396 O VAL A 84 89.691 -9.034 -4.460 1.00 0.00 O ATOM 1397 CB VAL A 84 89.362 -8.995 -7.616 1.00 0.00 C ATOM 1398 CG1 VAL A 84 89.769 -7.542 -7.813 1.00 0.00 C ATOM 1399 CG2 VAL A 84 89.296 -9.709 -8.959 1.00 0.00 C ATOM 0 H VAL A 84 88.919 -11.146 -6.043 1.00 0.00 H new ATOM 0 HA VAL A 84 91.300 -9.805 -7.171 1.00 0.00 H new ATOM 0 HB VAL A 84 88.374 -9.006 -7.155 1.00 0.00 H new ATOM 0 HG11 VAL A 84 89.063 -7.054 -8.485 1.00 0.00 H new ATOM 0 HG12 VAL A 84 89.767 -7.030 -6.851 1.00 0.00 H new ATOM 0 HG13 VAL A 84 90.769 -7.500 -8.245 1.00 0.00 H new ATOM 0 HG21 VAL A 84 88.607 -9.181 -9.618 1.00 0.00 H new ATOM 0 HG22 VAL A 84 90.288 -9.727 -9.411 1.00 0.00 H new ATOM 0 HG23 VAL A 84 88.946 -10.731 -8.811 1.00 0.00 H new ATOM 1409 N ARG A 85 91.604 -8.194 -5.287 1.00 0.00 N ATOM 1410 CA ARG A 85 91.904 -7.419 -4.094 1.00 0.00 C ATOM 1411 C ARG A 85 91.564 -5.953 -4.313 1.00 0.00 C ATOM 1412 O ARG A 85 92.008 -5.346 -5.287 1.00 0.00 O ATOM 1413 CB ARG A 85 93.384 -7.546 -3.728 1.00 0.00 C ATOM 1414 CG ARG A 85 93.880 -8.979 -3.654 1.00 0.00 C ATOM 1415 CD ARG A 85 95.314 -9.047 -3.151 1.00 0.00 C ATOM 1416 NE ARG A 85 95.840 -10.412 -3.186 1.00 0.00 N ATOM 1417 CZ ARG A 85 95.557 -11.347 -2.283 1.00 0.00 C ATOM 1418 NH1 ARG A 85 94.740 -11.072 -1.276 1.00 0.00 N ATOM 1419 NH2 ARG A 85 96.096 -12.555 -2.388 1.00 0.00 N ATOM 0 H ARG A 85 92.296 -8.107 -6.031 1.00 0.00 H new ATOM 0 HA ARG A 85 91.298 -7.811 -3.277 1.00 0.00 H new ATOM 0 HB2 ARG A 85 93.978 -7.004 -4.464 1.00 0.00 H new ATOM 0 HB3 ARG A 85 93.553 -7.064 -2.765 1.00 0.00 H new ATOM 0 HG2 ARG A 85 93.233 -9.555 -2.992 1.00 0.00 H new ATOM 0 HG3 ARG A 85 93.817 -9.438 -4.640 1.00 0.00 H new ATOM 0 HD2 ARG A 85 95.944 -8.399 -3.761 1.00 0.00 H new ATOM 0 HD3 ARG A 85 95.359 -8.666 -2.131 1.00 0.00 H new ATOM 0 HE ARG A 85 96.464 -10.663 -3.953 1.00 0.00 H new ATOM 0 HH11 ARG A 85 94.328 -10.143 -1.193 1.00 0.00 H new ATOM 0 HH12 ARG A 85 94.524 -11.790 -0.584 1.00 0.00 H new ATOM 0 HH21 ARG A 85 96.727 -12.766 -3.161 1.00 0.00 H new ATOM 0 HH22 ARG A 85 95.879 -13.272 -1.696 1.00 0.00 H new ATOM 1433 N VAL A 86 90.771 -5.391 -3.418 1.00 0.00 N ATOM 1434 CA VAL A 86 90.465 -3.969 -3.462 1.00 0.00 C ATOM 1435 C VAL A 86 91.358 -3.232 -2.474 1.00 0.00 C ATOM 1436 O VAL A 86 91.251 -3.429 -1.266 1.00 0.00 O ATOM 1437 CB VAL A 86 88.982 -3.689 -3.147 1.00 0.00 C ATOM 1438 CG1 VAL A 86 88.685 -2.198 -3.231 1.00 0.00 C ATOM 1439 CG2 VAL A 86 88.081 -4.469 -4.094 1.00 0.00 C ATOM 0 H VAL A 86 90.326 -5.896 -2.651 1.00 0.00 H new ATOM 0 HA VAL A 86 90.654 -3.612 -4.474 1.00 0.00 H new ATOM 0 HB VAL A 86 88.780 -4.019 -2.128 1.00 0.00 H new ATOM 0 HG11 VAL A 86 87.633 -2.023 -3.005 1.00 0.00 H new ATOM 0 HG12 VAL A 86 89.304 -1.663 -2.512 1.00 0.00 H new ATOM 0 HG13 VAL A 86 88.905 -1.839 -4.237 1.00 0.00 H new ATOM 0 HG21 VAL A 86 87.038 -4.260 -3.858 1.00 0.00 H new ATOM 0 HG22 VAL A 86 88.288 -4.170 -5.122 1.00 0.00 H new ATOM 0 HG23 VAL A 86 88.272 -5.536 -3.981 1.00 0.00 H new ATOM 1449 N VAL A 87 92.241 -2.395 -3.001 1.00 0.00 N ATOM 1450 CA VAL A 87 93.290 -1.769 -2.202 1.00 0.00 C ATOM 1451 C VAL A 87 93.047 -0.268 -2.052 1.00 0.00 C ATOM 1452 O VAL A 87 92.512 0.376 -2.958 1.00 0.00 O ATOM 1453 CB VAL A 87 94.679 -1.988 -2.850 1.00 0.00 C ATOM 1454 CG1 VAL A 87 95.794 -1.509 -1.935 1.00 0.00 C ATOM 1455 CG2 VAL A 87 94.881 -3.452 -3.220 1.00 0.00 C ATOM 0 H VAL A 87 92.253 -2.131 -3.986 1.00 0.00 H new ATOM 0 HA VAL A 87 93.268 -2.236 -1.218 1.00 0.00 H new ATOM 0 HB VAL A 87 94.715 -1.395 -3.764 1.00 0.00 H new ATOM 0 HG11 VAL A 87 96.757 -1.676 -2.417 1.00 0.00 H new ATOM 0 HG12 VAL A 87 95.668 -0.445 -1.734 1.00 0.00 H new ATOM 0 HG13 VAL A 87 95.757 -2.062 -0.996 1.00 0.00 H new ATOM 0 HG21 VAL A 87 95.864 -3.580 -3.673 1.00 0.00 H new ATOM 0 HG22 VAL A 87 94.812 -4.067 -2.323 1.00 0.00 H new ATOM 0 HG23 VAL A 87 94.112 -3.758 -3.929 1.00 0.00 H new ATOM 1465 N THR A 88 93.443 0.280 -0.907 1.00 0.00 N ATOM 1466 CA THR A 88 93.343 1.708 -0.665 1.00 0.00 C ATOM 1467 C THR A 88 94.416 2.142 0.338 1.00 0.00 C ATOM 1468 O THR A 88 95.215 1.319 0.792 1.00 0.00 O ATOM 1469 CB THR A 88 91.942 2.091 -0.142 1.00 0.00 C ATOM 1470 OG1 THR A 88 91.725 3.496 -0.309 1.00 0.00 O ATOM 1471 CG2 THR A 88 91.783 1.722 1.327 1.00 0.00 C ATOM 0 H THR A 88 93.838 -0.250 -0.130 1.00 0.00 H new ATOM 0 HA THR A 88 93.501 2.225 -1.611 1.00 0.00 H new ATOM 0 HB THR A 88 91.204 1.534 -0.719 1.00 0.00 H new ATOM 0 HG1 THR A 88 91.525 3.687 -1.249 1.00 0.00 H new ATOM 0 HG21 THR A 88 90.786 2.004 1.667 1.00 0.00 H new ATOM 0 HG22 THR A 88 91.918 0.647 1.449 1.00 0.00 H new ATOM 0 HG23 THR A 88 92.531 2.251 1.918 1.00 0.00 H new ATOM 1479 N ASP A 89 94.435 3.423 0.683 1.00 0.00 N ATOM 1480 CA ASP A 89 95.432 3.938 1.614 1.00 0.00 C ATOM 1481 C ASP A 89 94.968 3.768 3.056 1.00 0.00 C ATOM 1482 O ASP A 89 93.917 4.275 3.447 1.00 0.00 O ATOM 1483 CB ASP A 89 95.739 5.408 1.336 1.00 0.00 C ATOM 1484 CG ASP A 89 96.848 5.924 2.229 1.00 0.00 C ATOM 1485 OD1 ASP A 89 98.014 5.540 2.001 1.00 0.00 O ATOM 1486 OD2 ASP A 89 96.558 6.698 3.161 1.00 0.00 O ATOM 0 H ASP A 89 93.777 4.120 0.335 1.00 0.00 H new ATOM 0 HA ASP A 89 96.345 3.361 1.468 1.00 0.00 H new ATOM 0 HB2 ASP A 89 96.026 5.529 0.291 1.00 0.00 H new ATOM 0 HB3 ASP A 89 94.839 6.004 1.491 1.00 0.00 H new ATOM 1491 N TYR A 90 95.769 3.059 3.839 1.00 0.00 N ATOM 1492 CA TYR A 90 95.426 2.734 5.220 1.00 0.00 C ATOM 1493 C TYR A 90 95.555 3.956 6.125 1.00 0.00 C ATOM 1494 O TYR A 90 94.909 4.032 7.169 1.00 0.00 O ATOM 1495 CB TYR A 90 96.328 1.593 5.707 1.00 0.00 C ATOM 1496 CG TYR A 90 96.008 1.061 7.089 1.00 0.00 C ATOM 1497 CD1 TYR A 90 94.701 0.781 7.470 1.00 0.00 C ATOM 1498 CD2 TYR A 90 97.022 0.832 8.009 1.00 0.00 C ATOM 1499 CE1 TYR A 90 94.416 0.288 8.730 1.00 0.00 C ATOM 1500 CE2 TYR A 90 96.746 0.337 9.269 1.00 0.00 C ATOM 1501 CZ TYR A 90 95.442 0.068 9.626 1.00 0.00 C ATOM 1502 OH TYR A 90 95.164 -0.423 10.882 1.00 0.00 O ATOM 0 H TYR A 90 96.672 2.693 3.538 1.00 0.00 H new ATOM 0 HA TYR A 90 94.385 2.413 5.261 1.00 0.00 H new ATOM 0 HB2 TYR A 90 96.262 0.771 4.995 1.00 0.00 H new ATOM 0 HB3 TYR A 90 97.361 1.940 5.699 1.00 0.00 H new ATOM 0 HD1 TYR A 90 93.895 0.951 6.771 1.00 0.00 H new ATOM 0 HD2 TYR A 90 98.045 1.045 7.735 1.00 0.00 H new ATOM 0 HE1 TYR A 90 93.395 0.076 9.012 1.00 0.00 H new ATOM 0 HE2 TYR A 90 97.548 0.162 9.971 1.00 0.00 H new ATOM 0 HH TYR A 90 95.998 -0.521 11.387 1.00 0.00 H new ATOM 1512 N SER A 91 96.368 4.916 5.721 1.00 0.00 N ATOM 1513 CA SER A 91 96.551 6.127 6.504 1.00 0.00 C ATOM 1514 C SER A 91 95.307 7.010 6.426 1.00 0.00 C ATOM 1515 O SER A 91 94.746 7.404 7.451 1.00 0.00 O ATOM 1516 CB SER A 91 97.785 6.887 6.015 1.00 0.00 C ATOM 1517 OG SER A 91 98.936 6.056 6.047 1.00 0.00 O ATOM 0 H SER A 91 96.911 4.882 4.858 1.00 0.00 H new ATOM 0 HA SER A 91 96.704 5.850 7.547 1.00 0.00 H new ATOM 0 HB2 SER A 91 97.618 7.245 4.999 1.00 0.00 H new ATOM 0 HB3 SER A 91 97.948 7.765 6.640 1.00 0.00 H new ATOM 0 HG SER A 91 99.713 6.561 5.729 1.00 0.00 H new ATOM 1523 N GLU A 92 94.861 7.298 5.208 1.00 0.00 N ATOM 1524 CA GLU A 92 93.679 8.126 5.007 1.00 0.00 C ATOM 1525 C GLU A 92 92.409 7.389 5.404 1.00 0.00 C ATOM 1526 O GLU A 92 91.421 8.010 5.794 1.00 0.00 O ATOM 1527 CB GLU A 92 93.588 8.602 3.559 1.00 0.00 C ATOM 1528 CG GLU A 92 94.739 9.503 3.153 1.00 0.00 C ATOM 1529 CD GLU A 92 94.955 10.636 4.136 1.00 0.00 C ATOM 1530 OE1 GLU A 92 95.725 10.453 5.102 1.00 0.00 O ATOM 1531 OE2 GLU A 92 94.354 11.711 3.956 1.00 0.00 O ATOM 0 H GLU A 92 95.300 6.971 4.347 1.00 0.00 H new ATOM 0 HA GLU A 92 93.777 8.998 5.653 1.00 0.00 H new ATOM 0 HB2 GLU A 92 93.564 7.735 2.899 1.00 0.00 H new ATOM 0 HB3 GLU A 92 92.649 9.137 3.417 1.00 0.00 H new ATOM 0 HG2 GLU A 92 95.651 8.912 3.077 1.00 0.00 H new ATOM 0 HG3 GLU A 92 94.543 9.916 2.163 1.00 0.00 H new ATOM 1538 N PHE A 93 92.431 6.065 5.309 1.00 0.00 N ATOM 1539 CA PHE A 93 91.302 5.267 5.762 1.00 0.00 C ATOM 1540 C PHE A 93 91.156 5.398 7.275 1.00 0.00 C ATOM 1541 O PHE A 93 90.052 5.562 7.792 1.00 0.00 O ATOM 1542 CB PHE A 93 91.474 3.800 5.364 1.00 0.00 C ATOM 1543 CG PHE A 93 90.288 2.946 5.706 1.00 0.00 C ATOM 1544 CD1 PHE A 93 89.089 3.102 5.027 1.00 0.00 C ATOM 1545 CD2 PHE A 93 90.368 1.992 6.706 1.00 0.00 C ATOM 1546 CE1 PHE A 93 87.994 2.322 5.339 1.00 0.00 C ATOM 1547 CE2 PHE A 93 89.276 1.208 7.022 1.00 0.00 C ATOM 1548 CZ PHE A 93 88.087 1.373 6.338 1.00 0.00 C ATOM 0 H PHE A 93 93.209 5.528 4.927 1.00 0.00 H new ATOM 0 HA PHE A 93 90.396 5.638 5.282 1.00 0.00 H new ATOM 0 HB2 PHE A 93 91.657 3.742 4.291 1.00 0.00 H new ATOM 0 HB3 PHE A 93 92.357 3.398 5.860 1.00 0.00 H new ATOM 0 HD1 PHE A 93 89.011 3.843 4.245 1.00 0.00 H new ATOM 0 HD2 PHE A 93 91.295 1.859 7.245 1.00 0.00 H new ATOM 0 HE1 PHE A 93 87.066 2.454 4.803 1.00 0.00 H new ATOM 0 HE2 PHE A 93 89.351 0.466 7.803 1.00 0.00 H new ATOM 0 HZ PHE A 93 87.232 0.761 6.584 1.00 0.00 H new ATOM 1558 N GLN A 94 92.287 5.347 7.973 1.00 0.00 N ATOM 1559 CA GLN A 94 92.311 5.555 9.417 1.00 0.00 C ATOM 1560 C GLN A 94 91.854 6.967 9.765 1.00 0.00 C ATOM 1561 O GLN A 94 91.200 7.181 10.784 1.00 0.00 O ATOM 1562 CB GLN A 94 93.715 5.310 9.968 1.00 0.00 C ATOM 1563 CG GLN A 94 94.065 3.844 10.125 1.00 0.00 C ATOM 1564 CD GLN A 94 95.489 3.645 10.601 1.00 0.00 C ATOM 1565 OE1 GLN A 94 95.754 3.554 11.802 1.00 0.00 O ATOM 1566 NE2 GLN A 94 96.418 3.601 9.662 1.00 0.00 N ATOM 0 H GLN A 94 93.201 5.163 7.560 1.00 0.00 H new ATOM 0 HA GLN A 94 91.623 4.844 9.874 1.00 0.00 H new ATOM 0 HB2 GLN A 94 94.442 5.778 9.304 1.00 0.00 H new ATOM 0 HB3 GLN A 94 93.805 5.801 10.937 1.00 0.00 H new ATOM 0 HG2 GLN A 94 93.378 3.382 10.834 1.00 0.00 H new ATOM 0 HG3 GLN A 94 93.928 3.335 9.171 1.00 0.00 H new ATOM 0 HE21 GLN A 94 96.155 3.680 8.680 1.00 0.00 H new ATOM 0 HE22 GLN A 94 97.398 3.488 9.920 1.00 0.00 H new ATOM 1575 N LYS A 95 92.204 7.922 8.908 1.00 0.00 N ATOM 1576 CA LYS A 95 91.757 9.302 9.064 1.00 0.00 C ATOM 1577 C LYS A 95 90.230 9.362 9.114 1.00 0.00 C ATOM 1578 O LYS A 95 89.654 10.039 9.963 1.00 0.00 O ATOM 1579 CB LYS A 95 92.287 10.163 7.910 1.00 0.00 C ATOM 1580 CG LYS A 95 91.761 11.593 7.912 1.00 0.00 C ATOM 1581 CD LYS A 95 92.258 12.390 6.710 1.00 0.00 C ATOM 1582 CE LYS A 95 93.620 13.036 6.954 1.00 0.00 C ATOM 1583 NZ LYS A 95 94.716 12.040 7.100 1.00 0.00 N ATOM 0 H LYS A 95 92.799 7.764 8.095 1.00 0.00 H new ATOM 0 HA LYS A 95 92.151 9.694 10.002 1.00 0.00 H new ATOM 0 HB2 LYS A 95 93.376 10.187 7.958 1.00 0.00 H new ATOM 0 HB3 LYS A 95 92.020 9.690 6.965 1.00 0.00 H new ATOM 0 HG2 LYS A 95 90.671 11.578 7.910 1.00 0.00 H new ATOM 0 HG3 LYS A 95 92.071 12.092 8.830 1.00 0.00 H new ATOM 0 HD2 LYS A 95 92.323 11.731 5.844 1.00 0.00 H new ATOM 0 HD3 LYS A 95 91.531 13.165 6.467 1.00 0.00 H new ATOM 0 HE2 LYS A 95 93.852 13.706 6.126 1.00 0.00 H new ATOM 0 HE3 LYS A 95 93.570 13.648 7.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 95.620 12.476 6.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 94.769 11.725 8.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 94.526 11.222 6.486 1.00 0.00 H new ATOM 1597 N ILE A 96 89.584 8.628 8.215 1.00 0.00 N ATOM 1598 CA ILE A 96 88.128 8.582 8.161 1.00 0.00 C ATOM 1599 C ILE A 96 87.560 7.849 9.376 1.00 0.00 C ATOM 1600 O ILE A 96 86.546 8.262 9.946 1.00 0.00 O ATOM 1601 CB ILE A 96 87.640 7.894 6.869 1.00 0.00 C ATOM 1602 CG1 ILE A 96 88.175 8.646 5.646 1.00 0.00 C ATOM 1603 CG2 ILE A 96 86.117 7.829 6.837 1.00 0.00 C ATOM 1604 CD1 ILE A 96 87.855 7.977 4.330 1.00 0.00 C ATOM 0 H ILE A 96 90.048 8.054 7.511 1.00 0.00 H new ATOM 0 HA ILE A 96 87.770 9.611 8.167 1.00 0.00 H new ATOM 0 HB ILE A 96 88.021 6.873 6.848 1.00 0.00 H new ATOM 0 HG12 ILE A 96 87.760 9.654 5.641 1.00 0.00 H new ATOM 0 HG13 ILE A 96 89.256 8.747 5.738 1.00 0.00 H new ATOM 0 HG21 ILE A 96 85.793 7.340 5.918 1.00 0.00 H new ATOM 0 HG22 ILE A 96 85.759 7.261 7.696 1.00 0.00 H new ATOM 0 HG23 ILE A 96 85.709 8.839 6.874 1.00 0.00 H new ATOM 0 HD11 ILE A 96 88.266 8.568 3.512 1.00 0.00 H new ATOM 0 HD12 ILE A 96 88.294 6.979 4.313 1.00 0.00 H new ATOM 0 HD13 ILE A 96 86.774 7.900 4.214 1.00 0.00 H new ATOM 1616 N LEU A 97 88.223 6.768 9.771 1.00 0.00 N ATOM 1617 CA LEU A 97 87.820 6.014 10.952 1.00 0.00 C ATOM 1618 C LEU A 97 87.837 6.908 12.184 1.00 0.00 C ATOM 1619 O LEU A 97 86.852 6.991 12.917 1.00 0.00 O ATOM 1620 CB LEU A 97 88.749 4.817 11.174 1.00 0.00 C ATOM 1621 CG LEU A 97 88.751 3.768 10.061 1.00 0.00 C ATOM 1622 CD1 LEU A 97 89.755 2.670 10.374 1.00 0.00 C ATOM 1623 CD2 LEU A 97 87.360 3.180 9.878 1.00 0.00 C ATOM 0 H LEU A 97 89.042 6.394 9.291 1.00 0.00 H new ATOM 0 HA LEU A 97 86.806 5.648 10.788 1.00 0.00 H new ATOM 0 HB2 LEU A 97 89.766 5.188 11.301 1.00 0.00 H new ATOM 0 HB3 LEU A 97 88.468 4.330 12.108 1.00 0.00 H new ATOM 0 HG LEU A 97 89.044 4.252 9.129 1.00 0.00 H new ATOM 0 HD11 LEU A 97 89.746 1.930 9.574 1.00 0.00 H new ATOM 0 HD12 LEU A 97 90.752 3.102 10.458 1.00 0.00 H new ATOM 0 HD13 LEU A 97 89.487 2.190 11.315 1.00 0.00 H new ATOM 0 HD21 LEU A 97 87.381 2.436 9.082 1.00 0.00 H new ATOM 0 HD22 LEU A 97 87.039 2.709 10.807 1.00 0.00 H new ATOM 0 HD23 LEU A 97 86.661 3.974 9.614 1.00 0.00 H new ATOM 1635 N LYS A 98 88.955 7.599 12.385 1.00 0.00 N ATOM 1636 CA LYS A 98 89.129 8.467 13.542 1.00 0.00 C ATOM 1637 C LYS A 98 88.244 9.707 13.440 1.00 0.00 C ATOM 1638 O LYS A 98 87.884 10.305 14.456 1.00 0.00 O ATOM 1639 CB LYS A 98 90.600 8.868 13.688 1.00 0.00 C ATOM 1640 CG LYS A 98 91.516 7.686 13.968 1.00 0.00 C ATOM 1641 CD LYS A 98 92.986 8.086 14.036 1.00 0.00 C ATOM 1642 CE LYS A 98 93.322 8.888 15.291 1.00 0.00 C ATOM 1643 NZ LYS A 98 92.887 10.309 15.202 1.00 0.00 N ATOM 0 H LYS A 98 89.758 7.573 11.757 1.00 0.00 H new ATOM 0 HA LYS A 98 88.826 7.912 14.430 1.00 0.00 H new ATOM 0 HB2 LYS A 98 90.927 9.365 12.775 1.00 0.00 H new ATOM 0 HB3 LYS A 98 90.694 9.593 14.497 1.00 0.00 H new ATOM 0 HG2 LYS A 98 91.226 7.222 14.910 1.00 0.00 H new ATOM 0 HG3 LYS A 98 91.383 6.936 13.189 1.00 0.00 H new ATOM 0 HD2 LYS A 98 93.604 7.189 14.007 1.00 0.00 H new ATOM 0 HD3 LYS A 98 93.239 8.676 13.155 1.00 0.00 H new ATOM 0 HE2 LYS A 98 92.846 8.421 16.153 1.00 0.00 H new ATOM 0 HE3 LYS A 98 94.398 8.852 15.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 93.662 10.929 15.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 92.635 10.534 14.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 92.059 10.458 15.814 1.00 0.00 H new ATOM 1657 N LYS A 99 87.900 10.083 12.213 1.00 0.00 N ATOM 1658 CA LYS A 99 86.972 11.182 11.966 1.00 0.00 C ATOM 1659 C LYS A 99 85.619 10.896 12.610 1.00 0.00 C ATOM 1660 O LYS A 99 85.096 11.708 13.378 1.00 0.00 O ATOM 1661 CB LYS A 99 86.793 11.391 10.458 1.00 0.00 C ATOM 1662 CG LYS A 99 85.661 12.339 10.095 1.00 0.00 C ATOM 1663 CD LYS A 99 85.379 12.323 8.602 1.00 0.00 C ATOM 1664 CE LYS A 99 84.127 13.118 8.266 1.00 0.00 C ATOM 1665 NZ LYS A 99 83.798 13.051 6.818 1.00 0.00 N ATOM 0 H LYS A 99 88.254 9.638 11.366 1.00 0.00 H new ATOM 0 HA LYS A 99 87.386 12.088 12.408 1.00 0.00 H new ATOM 0 HB2 LYS A 99 87.724 11.777 10.042 1.00 0.00 H new ATOM 0 HB3 LYS A 99 86.610 10.425 9.987 1.00 0.00 H new ATOM 0 HG2 LYS A 99 84.760 12.057 10.640 1.00 0.00 H new ATOM 0 HG3 LYS A 99 85.918 13.351 10.407 1.00 0.00 H new ATOM 0 HD2 LYS A 99 86.231 12.739 8.065 1.00 0.00 H new ATOM 0 HD3 LYS A 99 85.260 11.294 8.263 1.00 0.00 H new ATOM 0 HE2 LYS A 99 83.288 12.735 8.847 1.00 0.00 H new ATOM 0 HE3 LYS A 99 84.269 14.159 8.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 82.938 13.606 6.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 84.588 13.440 6.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 83.637 12.061 6.544 1.00 0.00 H new ATOM 1679 N ARG A 100 85.061 9.737 12.292 1.00 0.00 N ATOM 1680 CA ARG A 100 83.768 9.334 12.832 1.00 0.00 C ATOM 1681 C ARG A 100 83.905 8.846 14.272 1.00 0.00 C ATOM 1682 O ARG A 100 83.048 9.113 15.115 1.00 0.00 O ATOM 1683 CB ARG A 100 83.144 8.240 11.958 1.00 0.00 C ATOM 1684 CG ARG A 100 81.943 7.563 12.599 1.00 0.00 C ATOM 1685 CD ARG A 100 81.309 6.529 11.682 1.00 0.00 C ATOM 1686 NE ARG A 100 80.422 5.629 12.419 1.00 0.00 N ATOM 1687 CZ ARG A 100 79.119 5.843 12.605 1.00 0.00 C ATOM 1688 NH1 ARG A 100 78.525 6.898 12.060 1.00 0.00 N ATOM 1689 NH2 ARG A 100 78.408 4.990 13.334 1.00 0.00 N ATOM 0 H ARG A 100 85.484 9.056 11.661 1.00 0.00 H new ATOM 0 HA ARG A 100 83.113 10.205 12.829 1.00 0.00 H new ATOM 0 HB2 ARG A 100 82.840 8.676 11.006 1.00 0.00 H new ATOM 0 HB3 ARG A 100 83.900 7.487 11.737 1.00 0.00 H new ATOM 0 HG2 ARG A 100 82.252 7.082 13.527 1.00 0.00 H new ATOM 0 HG3 ARG A 100 81.201 8.317 12.862 1.00 0.00 H new ATOM 0 HD2 ARG A 100 80.746 7.034 10.897 1.00 0.00 H new ATOM 0 HD3 ARG A 100 82.090 5.949 11.191 1.00 0.00 H new ATOM 0 HE ARG A 100 80.827 4.782 12.817 1.00 0.00 H new ATOM 0 HH11 ARG A 100 79.066 7.552 11.494 1.00 0.00 H new ATOM 0 HH12 ARG A 100 77.528 7.054 12.207 1.00 0.00 H new ATOM 0 HH21 ARG A 100 78.859 4.175 13.749 1.00 0.00 H new ATOM 0 HH22 ARG A 100 77.411 5.150 13.479 1.00 0.00 H new ATOM 1703 N GLY A 101 84.989 8.141 14.548 1.00 0.00 N ATOM 1704 CA GLY A 101 85.184 7.568 15.863 1.00 0.00 C ATOM 1705 C GLY A 101 85.098 6.058 15.832 1.00 0.00 C ATOM 1706 O GLY A 101 84.923 5.413 16.866 1.00 0.00 O ATOM 0 H GLY A 101 85.740 7.954 13.884 1.00 0.00 H new ATOM 0 HA2 GLY A 101 86.157 7.869 16.251 1.00 0.00 H new ATOM 0 HA3 GLY A 101 84.432 7.962 16.547 1.00 0.00 H new