USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 725 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 LYS NZ :NH3+ -153:sc= -0.0606 (180deg=-0.704) USER MOD Single : A 7 ASN : amide:sc= -0.875 K(o=-0.88,f=-6.8!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 85:sc= 0.198 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN :FLIP amide:sc= 1.09 F(o=0,f=1.1) USER MOD Single : A 24 GLN : amide:sc= -0.0595 X(o=-0.059,f=-0.46) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN : amide:sc= -1.18 K(o=-1.2,f=-4.4!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -128:sc= -0.117 (180deg=-2.53!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -127:sc= -1.87 (180deg=-3.66!) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0.013) USER MOD Single : A 48 TYR OH : rot 164:sc= 0.315 USER MOD Single : A 50 ASN : amide:sc= -0.214 K(o=-0.21,f=-1.5) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 93:sc= -0.901 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -1.02 K(o=-1,f=-7.5!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 146:sc= -0.374 (180deg=-1.53!) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= -0.846 X(o=-0.85,f=-0.75) USER MOD Single : A 76 THR OG1 : rot -85:sc= 1.04 USER MOD Single : A 79 ASN : amide:sc=-0.00053 X(o=-0.00053,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N LEU A 3 -10.511 -12.319 -9.953 1.00 0.00 N ATOM 31 CA LEU A 3 -10.039 -12.397 -8.576 1.00 0.00 C ATOM 32 C LEU A 3 -10.824 -13.440 -7.788 1.00 0.00 C ATOM 33 O LEU A 3 -12.000 -13.685 -8.061 1.00 0.00 O ATOM 34 CB LEU A 3 -10.154 -11.032 -7.895 1.00 0.00 C ATOM 35 CG LEU A 3 -9.224 -9.951 -8.447 1.00 0.00 C ATOM 36 CD1 LEU A 3 -9.877 -9.232 -9.617 1.00 0.00 C ATOM 37 CD2 LEU A 3 -8.848 -8.963 -7.353 1.00 0.00 C ATOM 0 HA LEU A 3 -8.991 -12.697 -8.596 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.183 -10.684 -7.984 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -9.951 -11.156 -6.831 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.313 -10.430 -8.805 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -9.201 -8.466 -9.997 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.095 -9.949 -10.409 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.804 -8.765 -9.285 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.186 -8.201 -7.763 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -9.750 -8.490 -6.965 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.339 -9.490 -6.546 1.00 0.00 H new ATOM 49 N LEU A 4 -10.168 -14.053 -6.809 1.00 0.00 N ATOM 50 CA LEU A 4 -10.804 -15.070 -5.981 1.00 0.00 C ATOM 51 C LEU A 4 -11.437 -14.446 -4.742 1.00 0.00 C ATOM 52 O LEU A 4 -11.087 -13.334 -4.348 1.00 0.00 O ATOM 53 CB LEU A 4 -9.784 -16.133 -5.567 1.00 0.00 C ATOM 54 CG LEU A 4 -10.343 -17.550 -5.436 1.00 0.00 C ATOM 55 CD1 LEU A 4 -10.288 -18.272 -6.773 1.00 0.00 C ATOM 56 CD2 LEU A 4 -9.576 -18.328 -4.377 1.00 0.00 C ATOM 0 H LEU A 4 -9.195 -13.863 -6.569 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.591 -15.542 -6.570 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.976 -16.144 -6.299 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.346 -15.842 -4.612 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.386 -17.482 -5.126 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.690 -19.279 -6.660 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.880 -17.725 -7.506 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.254 -18.330 -7.113 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.987 -19.334 -4.296 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.525 -18.386 -4.659 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.667 -17.821 -3.416 1.00 0.00 H new ATOM 68 N LYS A 5 -12.369 -15.169 -4.131 1.00 0.00 N ATOM 69 CA LYS A 5 -13.050 -14.686 -2.936 1.00 0.00 C ATOM 70 C LYS A 5 -12.061 -14.478 -1.793 1.00 0.00 C ATOM 71 O LYS A 5 -12.031 -13.418 -1.170 1.00 0.00 O ATOM 72 CB LYS A 5 -14.140 -15.671 -2.509 1.00 0.00 C ATOM 73 CG LYS A 5 -15.271 -15.026 -1.726 1.00 0.00 C ATOM 74 CD LYS A 5 -16.439 -14.665 -2.630 1.00 0.00 C ATOM 75 CE LYS A 5 -16.250 -13.298 -3.266 1.00 0.00 C ATOM 76 NZ LYS A 5 -15.682 -13.397 -4.639 1.00 0.00 N ATOM 0 H LYS A 5 -12.670 -16.092 -4.444 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.511 -13.727 -3.174 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.552 -16.151 -3.397 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.690 -16.456 -1.901 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -15.610 -15.708 -0.946 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.904 -14.129 -1.227 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.543 -15.419 -3.410 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -17.363 -14.674 -2.053 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -17.209 -12.781 -3.306 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -15.589 -12.696 -2.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -15.155 -12.528 -4.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -15.040 -14.214 -4.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.453 -13.519 -5.326 1.00 0.00 H new ATOM 90 N ALA A 6 -11.252 -15.499 -1.525 1.00 0.00 N ATOM 91 CA ALA A 6 -10.262 -15.428 -0.458 1.00 0.00 C ATOM 92 C ALA A 6 -9.109 -14.506 -0.839 1.00 0.00 C ATOM 93 O ALA A 6 -8.544 -13.817 0.010 1.00 0.00 O ATOM 94 CB ALA A 6 -9.741 -16.819 -0.129 1.00 0.00 C ATOM 0 H ALA A 6 -11.263 -16.384 -2.032 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.746 -15.014 0.426 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.002 -16.751 0.670 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.568 -17.450 0.195 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.278 -17.253 -1.015 1.00 0.00 H new ATOM 100 N ASN A 7 -8.765 -14.498 -2.123 1.00 0.00 N ATOM 101 CA ASN A 7 -7.678 -13.660 -2.618 1.00 0.00 C ATOM 102 C ASN A 7 -8.070 -12.186 -2.586 1.00 0.00 C ATOM 103 O ASN A 7 -7.317 -11.344 -2.097 1.00 0.00 O ATOM 104 CB ASN A 7 -7.301 -14.068 -4.043 1.00 0.00 C ATOM 105 CG ASN A 7 -6.587 -15.405 -4.091 1.00 0.00 C ATOM 106 OD1 ASN A 7 -6.990 -16.310 -4.821 1.00 0.00 O ATOM 107 ND2 ASN A 7 -5.519 -15.533 -3.313 1.00 0.00 N ATOM 0 H ASN A 7 -9.223 -15.062 -2.839 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.816 -13.803 -1.966 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -8.202 -14.118 -4.654 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.661 -13.301 -4.480 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -4.996 -16.409 -3.304 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.221 -14.756 -2.724 1.00 0.00 H new ATOM 114 N LYS A 8 -9.254 -11.881 -3.109 1.00 0.00 N ATOM 115 CA LYS A 8 -9.745 -10.509 -3.139 1.00 0.00 C ATOM 116 C LYS A 8 -9.982 -9.986 -1.726 1.00 0.00 C ATOM 117 O LYS A 8 -9.829 -8.793 -1.462 1.00 0.00 O ATOM 118 CB LYS A 8 -11.040 -10.426 -3.949 1.00 0.00 C ATOM 119 CG LYS A 8 -11.509 -9.003 -4.203 1.00 0.00 C ATOM 120 CD LYS A 8 -12.669 -8.966 -5.184 1.00 0.00 C ATOM 121 CE LYS A 8 -12.907 -7.560 -5.713 1.00 0.00 C ATOM 122 NZ LYS A 8 -14.267 -7.409 -6.298 1.00 0.00 N ATOM 0 H LYS A 8 -9.890 -12.566 -3.517 1.00 0.00 H new ATOM 0 HA LYS A 8 -8.986 -9.888 -3.615 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.893 -10.927 -4.906 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -11.824 -10.969 -3.422 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -11.813 -8.545 -3.261 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -10.682 -8.410 -4.593 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.464 -9.639 -6.016 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.573 -9.330 -4.695 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.778 -6.841 -4.904 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.158 -7.325 -6.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -14.389 -6.437 -6.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -14.382 -8.077 -7.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -14.982 -7.608 -5.570 1.00 0.00 H new ATOM 136 N ASP A 9 -10.354 -10.886 -0.822 1.00 0.00 N ATOM 137 CA ASP A 9 -10.611 -10.515 0.565 1.00 0.00 C ATOM 138 C ASP A 9 -9.311 -10.174 1.286 1.00 0.00 C ATOM 139 O ASP A 9 -9.296 -9.351 2.203 1.00 0.00 O ATOM 140 CB ASP A 9 -11.328 -11.652 1.294 1.00 0.00 C ATOM 141 CG ASP A 9 -12.838 -11.524 1.221 1.00 0.00 C ATOM 142 OD1 ASP A 9 -13.381 -10.566 1.808 1.00 0.00 O ATOM 143 OD2 ASP A 9 -13.476 -12.383 0.577 1.00 0.00 O ATOM 0 H ASP A 9 -10.484 -11.877 -1.025 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.250 -9.632 0.567 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.026 -12.605 0.861 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -11.017 -11.663 2.339 1.00 0.00 H new ATOM 148 N LEU A 10 -8.222 -10.809 0.867 1.00 0.00 N ATOM 149 CA LEU A 10 -6.918 -10.573 1.471 1.00 0.00 C ATOM 150 C LEU A 10 -6.415 -9.170 1.145 1.00 0.00 C ATOM 151 O LEU A 10 -5.932 -8.453 2.021 1.00 0.00 O ATOM 152 CB LEU A 10 -5.917 -11.621 0.982 1.00 0.00 C ATOM 153 CG LEU A 10 -5.465 -12.627 2.041 1.00 0.00 C ATOM 154 CD1 LEU A 10 -4.559 -13.681 1.424 1.00 0.00 C ATOM 155 CD2 LEU A 10 -4.759 -11.915 3.184 1.00 0.00 C ATOM 0 H LEU A 10 -8.218 -11.492 0.110 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.019 -10.656 2.553 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.363 -12.167 0.151 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.038 -11.108 0.592 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.347 -13.127 2.441 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.247 -14.388 2.193 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.100 -14.212 0.640 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.680 -13.200 0.996 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.444 -12.646 3.929 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.885 -11.388 2.800 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.441 -11.200 3.644 1.00 0.00 H new ATOM 167 N ILE A 11 -6.533 -8.785 -0.122 1.00 0.00 N ATOM 168 CA ILE A 11 -6.092 -7.468 -0.564 1.00 0.00 C ATOM 169 C ILE A 11 -7.009 -6.374 -0.028 1.00 0.00 C ATOM 170 O ILE A 11 -6.560 -5.273 0.287 1.00 0.00 O ATOM 171 CB ILE A 11 -6.045 -7.375 -2.101 1.00 0.00 C ATOM 172 CG1 ILE A 11 -5.269 -8.559 -2.682 1.00 0.00 C ATOM 173 CG2 ILE A 11 -5.417 -6.059 -2.535 1.00 0.00 C ATOM 174 CD1 ILE A 11 -5.181 -8.542 -4.193 1.00 0.00 C ATOM 0 H ILE A 11 -6.930 -9.367 -0.860 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.086 -7.323 -0.169 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.065 -7.410 -2.483 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.261 -8.561 -2.268 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.746 -9.486 -2.364 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.392 -6.010 -3.624 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.008 -5.229 -2.148 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.401 -5.995 -2.145 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.617 -9.410 -4.534 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.185 -8.572 -4.616 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.677 -7.632 -4.518 1.00 0.00 H new ATOM 186 N SER A 12 -8.298 -6.687 0.075 1.00 0.00 N ATOM 187 CA SER A 12 -9.279 -5.730 0.574 1.00 0.00 C ATOM 188 C SER A 12 -8.913 -5.259 1.977 1.00 0.00 C ATOM 189 O SER A 12 -9.007 -4.071 2.287 1.00 0.00 O ATOM 190 CB SER A 12 -10.675 -6.356 0.581 1.00 0.00 C ATOM 191 OG SER A 12 -11.290 -6.247 -0.691 1.00 0.00 O ATOM 0 H SER A 12 -8.686 -7.595 -0.180 1.00 0.00 H new ATOM 0 HA SER A 12 -9.279 -4.867 -0.091 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.605 -7.406 0.865 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.294 -5.863 1.331 1.00 0.00 H new ATOM 0 HG SER A 12 -11.004 -6.993 -1.258 1.00 0.00 H new ATOM 197 N ALA A 13 -8.493 -6.196 2.821 1.00 0.00 N ATOM 198 CA ALA A 13 -8.110 -5.872 4.189 1.00 0.00 C ATOM 199 C ALA A 13 -6.951 -4.881 4.210 1.00 0.00 C ATOM 200 O ALA A 13 -6.980 -3.892 4.940 1.00 0.00 O ATOM 201 CB ALA A 13 -7.737 -7.139 4.946 1.00 0.00 C ATOM 0 H ALA A 13 -8.410 -7.184 2.581 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.964 -5.406 4.681 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.453 -6.883 5.967 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.591 -7.816 4.966 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.899 -7.627 4.448 1.00 0.00 H new ATOM 207 N GLY A 14 -5.934 -5.153 3.398 1.00 0.00 N ATOM 208 CA GLY A 14 -4.781 -4.276 3.334 1.00 0.00 C ATOM 209 C GLY A 14 -5.113 -2.933 2.715 1.00 0.00 C ATOM 210 O GLY A 14 -4.554 -1.907 3.103 1.00 0.00 O ATOM 0 H GLY A 14 -5.889 -5.966 2.783 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.388 -4.123 4.339 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.994 -4.757 2.753 1.00 0.00 H new ATOM 214 N LEU A 15 -6.025 -2.939 1.747 1.00 0.00 N ATOM 215 CA LEU A 15 -6.431 -1.712 1.071 1.00 0.00 C ATOM 216 C LEU A 15 -6.981 -0.695 2.068 1.00 0.00 C ATOM 217 O LEU A 15 -6.627 0.483 2.027 1.00 0.00 O ATOM 218 CB LEU A 15 -7.483 -2.020 0.002 1.00 0.00 C ATOM 219 CG LEU A 15 -7.133 -1.540 -1.408 1.00 0.00 C ATOM 220 CD1 LEU A 15 -8.202 -1.971 -2.400 1.00 0.00 C ATOM 221 CD2 LEU A 15 -6.963 -0.028 -1.428 1.00 0.00 C ATOM 0 H LEU A 15 -6.496 -3.780 1.414 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.551 -1.282 0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.645 -3.098 -0.027 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.427 -1.564 0.301 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.188 -1.997 -1.703 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.936 -1.620 -3.397 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.276 -3.058 -2.405 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.162 -1.543 -2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.714 0.297 -2.438 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.892 0.447 -1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.161 0.257 -0.747 1.00 0.00 H new ATOM 233 N LYS A 16 -7.847 -1.161 2.963 1.00 0.00 N ATOM 234 CA LYS A 16 -8.444 -0.293 3.971 1.00 0.00 C ATOM 235 C LYS A 16 -7.405 0.144 4.998 1.00 0.00 C ATOM 236 O LYS A 16 -7.449 1.265 5.503 1.00 0.00 O ATOM 237 CB LYS A 16 -9.600 -1.009 4.671 1.00 0.00 C ATOM 238 CG LYS A 16 -9.195 -2.319 5.328 1.00 0.00 C ATOM 239 CD LYS A 16 -10.240 -2.785 6.329 1.00 0.00 C ATOM 240 CE LYS A 16 -9.859 -2.402 7.750 1.00 0.00 C ATOM 241 NZ LYS A 16 -10.262 -3.445 8.733 1.00 0.00 N ATOM 0 H LYS A 16 -8.150 -2.134 3.010 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.827 0.595 3.468 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.021 -0.347 5.428 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.389 -1.205 3.944 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.055 -3.083 4.563 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.237 -2.194 5.832 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.206 -2.346 6.079 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.354 -3.867 6.261 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.782 -2.246 7.807 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.333 -1.455 8.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.985 -3.146 9.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.293 -3.576 8.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.790 -4.342 8.500 1.00 0.00 H new ATOM 255 N GLU A 17 -6.469 -0.749 5.301 1.00 0.00 N ATOM 256 CA GLU A 17 -5.416 -0.456 6.267 1.00 0.00 C ATOM 257 C GLU A 17 -4.583 0.738 5.816 1.00 0.00 C ATOM 258 O GLU A 17 -4.121 1.531 6.638 1.00 0.00 O ATOM 259 CB GLU A 17 -4.516 -1.679 6.459 1.00 0.00 C ATOM 260 CG GLU A 17 -5.096 -2.719 7.403 1.00 0.00 C ATOM 261 CD GLU A 17 -4.063 -3.731 7.861 1.00 0.00 C ATOM 262 OE1 GLU A 17 -3.223 -3.378 8.715 1.00 0.00 O ATOM 263 OE2 GLU A 17 -4.094 -4.877 7.363 1.00 0.00 O ATOM 0 H GLU A 17 -6.418 -1.682 4.892 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.887 -0.209 7.218 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.335 -2.142 5.489 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.549 -1.352 6.842 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.520 -2.218 8.274 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.914 -3.240 6.906 1.00 0.00 H new ATOM 270 N PHE A 18 -4.394 0.861 4.507 1.00 0.00 N ATOM 271 CA PHE A 18 -3.617 1.960 3.946 1.00 0.00 C ATOM 272 C PHE A 18 -4.389 3.271 4.034 1.00 0.00 C ATOM 273 O PHE A 18 -3.840 4.304 4.418 1.00 0.00 O ATOM 274 CB PHE A 18 -3.253 1.665 2.491 1.00 0.00 C ATOM 275 CG PHE A 18 -1.891 2.164 2.099 1.00 0.00 C ATOM 276 CD1 PHE A 18 -0.748 1.517 2.540 1.00 0.00 C ATOM 277 CD2 PHE A 18 -1.755 3.280 1.289 1.00 0.00 C ATOM 278 CE1 PHE A 18 0.505 1.973 2.182 1.00 0.00 C ATOM 279 CE2 PHE A 18 -0.504 3.742 0.927 1.00 0.00 C ATOM 280 CZ PHE A 18 0.628 3.088 1.375 1.00 0.00 C ATOM 0 H PHE A 18 -4.768 0.213 3.814 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.701 2.059 4.528 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.298 0.589 2.325 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.999 2.120 1.839 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.838 0.645 3.171 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.637 3.795 0.937 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.388 1.459 2.532 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.411 4.613 0.295 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.607 3.448 1.095 1.00 0.00 H new ATOM 290 N SER A 19 -5.669 3.224 3.673 1.00 0.00 N ATOM 291 CA SER A 19 -6.518 4.408 3.711 1.00 0.00 C ATOM 292 C SER A 19 -6.612 4.965 5.127 1.00 0.00 C ATOM 293 O SER A 19 -6.394 6.155 5.354 1.00 0.00 O ATOM 294 CB SER A 19 -7.916 4.075 3.187 1.00 0.00 C ATOM 295 OG SER A 19 -8.449 5.152 2.435 1.00 0.00 O ATOM 0 H SER A 19 -6.139 2.378 3.351 1.00 0.00 H new ATOM 0 HA SER A 19 -6.069 5.167 3.071 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.871 3.181 2.566 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.577 3.849 4.024 1.00 0.00 H new ATOM 0 HG SER A 19 -9.342 4.914 2.110 1.00 0.00 H new ATOM 301 N VAL A 20 -6.937 4.095 6.079 1.00 0.00 N ATOM 302 CA VAL A 20 -7.060 4.500 7.474 1.00 0.00 C ATOM 303 C VAL A 20 -5.727 5.007 8.014 1.00 0.00 C ATOM 304 O VAL A 20 -5.663 6.049 8.665 1.00 0.00 O ATOM 305 CB VAL A 20 -7.560 3.335 8.353 1.00 0.00 C ATOM 306 CG1 VAL A 20 -6.498 2.252 8.492 1.00 0.00 C ATOM 307 CG2 VAL A 20 -7.993 3.844 9.719 1.00 0.00 C ATOM 0 H VAL A 20 -7.120 3.106 5.909 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.791 5.307 7.512 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.425 2.890 7.860 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.881 1.445 9.117 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.247 1.860 7.506 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.605 2.675 8.952 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.343 3.008 10.325 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.148 4.322 10.214 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.800 4.567 9.599 1.00 0.00 H new ATOM 317 N LEU A 21 -4.668 4.258 7.736 1.00 0.00 N ATOM 318 CA LEU A 21 -3.330 4.624 8.190 1.00 0.00 C ATOM 319 C LEU A 21 -2.921 5.984 7.634 1.00 0.00 C ATOM 320 O LEU A 21 -2.248 6.763 8.307 1.00 0.00 O ATOM 321 CB LEU A 21 -2.316 3.560 7.765 1.00 0.00 C ATOM 322 CG LEU A 21 -0.914 3.730 8.353 1.00 0.00 C ATOM 323 CD1 LEU A 21 -0.811 3.028 9.698 1.00 0.00 C ATOM 324 CD2 LEU A 21 0.135 3.198 7.389 1.00 0.00 C ATOM 0 H LEU A 21 -4.708 3.392 7.198 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.346 4.686 9.278 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.698 2.581 8.053 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.241 3.566 6.678 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.731 4.793 8.507 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.193 3.160 10.101 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.538 3.456 10.388 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.014 1.965 9.570 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.127 3.327 7.823 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.045 2.139 7.203 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.076 3.746 6.449 1.00 0.00 H new ATOM 336 N LEU A 22 -3.334 6.262 6.401 1.00 0.00 N ATOM 337 CA LEU A 22 -3.010 7.528 5.754 1.00 0.00 C ATOM 338 C LEU A 22 -3.830 8.667 6.351 1.00 0.00 C ATOM 339 O LEU A 22 -3.345 9.791 6.483 1.00 0.00 O ATOM 340 CB LEU A 22 -3.265 7.436 4.249 1.00 0.00 C ATOM 341 CG LEU A 22 -2.182 6.706 3.453 1.00 0.00 C ATOM 342 CD1 LEU A 22 -2.524 6.696 1.971 1.00 0.00 C ATOM 343 CD2 LEU A 22 -0.824 7.354 3.684 1.00 0.00 C ATOM 0 H LEU A 22 -3.893 5.628 5.831 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.953 7.735 5.924 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.217 6.930 4.087 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.369 8.445 3.851 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.135 5.674 3.801 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.742 6.172 1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.476 6.187 1.821 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.599 7.721 1.608 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.065 6.822 3.110 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.858 8.395 3.363 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.575 7.309 4.744 1.00 0.00 H new ATOM 355 N ASN A 23 -5.074 8.370 6.712 1.00 0.00 N ATOM 356 CA ASN A 23 -5.961 9.369 7.295 1.00 0.00 C ATOM 357 C ASN A 23 -5.446 9.823 8.657 1.00 0.00 C ATOM 358 O ASN A 23 -5.643 10.971 9.055 1.00 0.00 O ATOM 359 CB ASN A 23 -7.376 8.807 7.434 1.00 0.00 C ATOM 360 CG ASN A 23 -8.233 9.087 6.215 1.00 0.00 C ATOM 361 OD1 ASN A 23 -8.995 10.174 6.265 1.00 0.00 O flip ATOM 362 ND2 ASN A 23 -8.209 8.336 5.239 1.00 0.00 N flip ATOM 0 H ASN A 23 -5.491 7.444 6.611 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.985 10.231 6.628 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.322 7.731 7.597 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.850 9.239 8.315 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.608 7.512 5.244 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.790 8.538 4.425 1.00 0.00 H new ATOM 369 N GLN A 24 -4.784 8.914 9.368 1.00 0.00 N ATOM 370 CA GLN A 24 -4.240 9.221 10.684 1.00 0.00 C ATOM 371 C GLN A 24 -3.194 10.329 10.597 1.00 0.00 C ATOM 372 O GLN A 24 -3.164 11.235 11.429 1.00 0.00 O ATOM 373 CB GLN A 24 -3.622 7.969 11.309 1.00 0.00 C ATOM 374 CG GLN A 24 -4.646 6.917 11.702 1.00 0.00 C ATOM 375 CD GLN A 24 -4.010 5.585 12.047 1.00 0.00 C ATOM 376 OE1 GLN A 24 -4.423 4.539 11.547 1.00 0.00 O ATOM 377 NE2 GLN A 24 -2.998 5.617 12.906 1.00 0.00 N ATOM 0 H GLN A 24 -4.612 7.959 9.053 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.058 9.568 11.315 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.916 7.531 10.603 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -3.052 8.257 12.192 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.219 7.275 12.558 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.351 6.777 10.882 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.688 6.507 13.296 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.530 4.752 13.176 1.00 0.00 H new ATOM 386 N GLN A 25 -2.339 10.248 9.582 1.00 0.00 N ATOM 387 CA GLN A 25 -1.293 11.244 9.385 1.00 0.00 C ATOM 388 C GLN A 25 -1.862 12.518 8.772 1.00 0.00 C ATOM 389 O GLN A 25 -2.856 12.480 8.048 1.00 0.00 O ATOM 390 CB GLN A 25 -0.188 10.680 8.487 1.00 0.00 C ATOM 391 CG GLN A 25 0.905 9.952 9.251 1.00 0.00 C ATOM 392 CD GLN A 25 2.251 10.029 8.558 1.00 0.00 C ATOM 393 OE1 GLN A 25 3.168 10.702 9.030 1.00 0.00 O ATOM 394 NE2 GLN A 25 2.376 9.341 7.430 1.00 0.00 N ATOM 0 H GLN A 25 -2.350 9.504 8.885 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.871 11.490 10.359 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.633 9.995 7.765 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.259 11.496 7.919 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.990 10.378 10.251 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.623 8.906 9.373 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.590 8.796 7.075 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.258 9.357 6.918 1.00 0.00 H new ATOM 403 N VAL A 26 -1.225 13.647 9.066 1.00 0.00 N ATOM 404 CA VAL A 26 -1.668 14.933 8.543 1.00 0.00 C ATOM 405 C VAL A 26 -0.492 15.750 8.019 1.00 0.00 C ATOM 406 O VAL A 26 0.633 15.618 8.501 1.00 0.00 O ATOM 407 CB VAL A 26 -2.407 15.752 9.619 1.00 0.00 C ATOM 408 CG1 VAL A 26 -3.750 15.119 9.946 1.00 0.00 C ATOM 409 CG2 VAL A 26 -1.552 15.883 10.870 1.00 0.00 C ATOM 0 H VAL A 26 -0.400 13.697 9.664 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.353 14.720 7.722 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.591 16.752 9.225 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.256 15.712 10.708 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.364 15.084 9.046 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.594 14.107 10.319 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.090 16.464 11.619 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.334 14.892 11.267 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.618 16.387 10.621 1.00 0.00 H new ATOM 419 N PHE A 27 -0.759 16.593 7.027 1.00 0.00 N ATOM 420 CA PHE A 27 0.277 17.432 6.436 1.00 0.00 C ATOM 421 C PHE A 27 0.120 18.884 6.876 1.00 0.00 C ATOM 422 O PHE A 27 -0.940 19.485 6.698 1.00 0.00 O ATOM 423 CB PHE A 27 0.230 17.341 4.909 1.00 0.00 C ATOM 424 CG PHE A 27 -1.161 17.403 4.344 1.00 0.00 C ATOM 425 CD1 PHE A 27 -1.810 18.619 4.196 1.00 0.00 C ATOM 426 CD2 PHE A 27 -1.820 16.245 3.961 1.00 0.00 C ATOM 427 CE1 PHE A 27 -3.088 18.679 3.677 1.00 0.00 C ATOM 428 CE2 PHE A 27 -3.099 16.300 3.442 1.00 0.00 C ATOM 429 CZ PHE A 27 -3.734 17.517 3.299 1.00 0.00 C ATOM 0 H PHE A 27 -1.684 16.713 6.615 1.00 0.00 H new ATOM 0 HA PHE A 27 1.244 17.069 6.784 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.821 18.154 4.487 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.699 16.409 4.595 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.310 19.530 4.490 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.328 15.290 4.070 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.582 19.633 3.567 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.602 15.391 3.148 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.734 17.561 2.893 1.00 0.00 H new ATOM 439 N ASN A 28 1.181 19.441 7.450 1.00 0.00 N ATOM 440 CA ASN A 28 1.160 20.824 7.916 1.00 0.00 C ATOM 441 C ASN A 28 2.518 21.233 8.481 1.00 0.00 C ATOM 442 O ASN A 28 2.966 22.363 8.287 1.00 0.00 O ATOM 443 CB ASN A 28 0.077 21.010 8.980 1.00 0.00 C ATOM 444 CG ASN A 28 0.171 19.978 10.087 1.00 0.00 C ATOM 445 OD1 ASN A 28 1.147 19.942 10.836 1.00 0.00 O ATOM 446 ND2 ASN A 28 -0.846 19.132 10.195 1.00 0.00 N ATOM 0 H ASN A 28 2.066 18.957 7.604 1.00 0.00 H new ATOM 0 HA ASN A 28 0.936 21.463 7.062 1.00 0.00 H new ATOM 0 HB2 ASN A 28 0.161 22.008 9.410 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.905 20.947 8.510 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.839 18.416 10.921 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -1.635 19.198 9.552 1.00 0.00 H new ATOM 453 N ASP A 29 3.167 20.308 9.181 1.00 0.00 N ATOM 454 CA ASP A 29 4.472 20.576 9.776 1.00 0.00 C ATOM 455 C ASP A 29 5.487 19.535 9.388 1.00 0.00 C ATOM 456 O ASP A 29 6.216 19.020 10.237 1.00 0.00 O ATOM 457 CB ASP A 29 4.358 20.667 11.300 1.00 0.00 C ATOM 458 CG ASP A 29 3.965 22.054 11.769 1.00 0.00 C ATOM 459 OD1 ASP A 29 4.864 22.907 11.917 1.00 0.00 O ATOM 460 OD2 ASP A 29 2.757 22.287 11.988 1.00 0.00 O ATOM 0 H ASP A 29 2.811 19.367 9.350 1.00 0.00 H new ATOM 0 HA ASP A 29 4.818 21.534 9.389 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.620 19.945 11.650 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.312 20.391 11.750 1.00 0.00 H new ATOM 465 N PRO A 30 5.597 19.229 8.089 1.00 0.00 N ATOM 466 CA PRO A 30 6.582 18.282 7.645 1.00 0.00 C ATOM 467 C PRO A 30 7.938 18.957 7.541 1.00 0.00 C ATOM 468 O PRO A 30 8.119 19.922 6.797 1.00 0.00 O ATOM 469 CB PRO A 30 6.070 17.877 6.266 1.00 0.00 C ATOM 470 CG PRO A 30 5.369 19.093 5.759 1.00 0.00 C ATOM 471 CD PRO A 30 4.824 19.806 6.972 1.00 0.00 C ATOM 0 HA PRO A 30 6.712 17.433 8.317 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.889 17.587 5.608 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.393 17.025 6.328 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.055 19.735 5.207 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.566 18.821 5.074 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.966 20.884 6.901 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.755 19.633 7.092 1.00 0.00 H new ATOM 479 N LEU A 31 8.877 18.436 8.293 1.00 0.00 N ATOM 480 CA LEU A 31 10.236 18.962 8.316 1.00 0.00 C ATOM 481 C LEU A 31 11.157 18.128 7.430 1.00 0.00 C ATOM 482 O LEU A 31 12.115 18.643 6.854 1.00 0.00 O ATOM 483 CB LEU A 31 10.771 18.986 9.749 1.00 0.00 C ATOM 484 CG LEU A 31 10.517 20.286 10.513 1.00 0.00 C ATOM 485 CD1 LEU A 31 11.325 21.426 9.911 1.00 0.00 C ATOM 486 CD2 LEU A 31 9.034 20.622 10.512 1.00 0.00 C ATOM 0 H LEU A 31 8.729 17.636 8.909 1.00 0.00 H new ATOM 0 HA LEU A 31 10.212 19.980 7.927 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.320 18.163 10.303 1.00 0.00 H new ATOM 0 HB3 LEU A 31 11.845 18.802 9.723 1.00 0.00 H new ATOM 0 HG LEU A 31 10.838 20.148 11.546 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.131 22.343 10.468 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.387 21.187 9.964 1.00 0.00 H new ATOM 0 HD13 LEU A 31 11.036 21.566 8.869 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.871 21.550 11.060 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.689 20.741 9.485 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.478 19.816 10.990 1.00 0.00 H new ATOM 498 N VAL A 32 10.859 16.837 7.326 1.00 0.00 N ATOM 499 CA VAL A 32 11.660 15.931 6.510 1.00 0.00 C ATOM 500 C VAL A 32 11.515 16.253 5.026 1.00 0.00 C ATOM 501 O VAL A 32 10.495 16.793 4.595 1.00 0.00 O ATOM 502 CB VAL A 32 11.263 14.462 6.745 1.00 0.00 C ATOM 503 CG1 VAL A 32 12.236 13.526 6.044 1.00 0.00 C ATOM 504 CG2 VAL A 32 11.199 14.158 8.234 1.00 0.00 C ATOM 0 H VAL A 32 10.069 16.395 7.796 1.00 0.00 H new ATOM 0 HA VAL A 32 12.698 16.071 6.810 1.00 0.00 H new ATOM 0 HB VAL A 32 10.272 14.301 6.321 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.939 12.492 6.222 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.227 13.727 4.973 1.00 0.00 H new ATOM 0 HG13 VAL A 32 13.241 13.687 6.434 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.917 13.115 8.381 1.00 0.00 H new ATOM 0 HG22 VAL A 32 12.176 14.337 8.684 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.459 14.804 8.706 1.00 0.00 H new ATOM 514 N SER A 33 12.541 15.921 4.251 1.00 0.00 N ATOM 515 CA SER A 33 12.528 16.174 2.815 1.00 0.00 C ATOM 516 C SER A 33 11.465 15.327 2.122 1.00 0.00 C ATOM 517 O SER A 33 10.970 14.352 2.687 1.00 0.00 O ATOM 518 CB SER A 33 13.903 15.883 2.211 1.00 0.00 C ATOM 519 OG SER A 33 14.865 16.822 2.658 1.00 0.00 O ATOM 0 H SER A 33 13.393 15.476 4.593 1.00 0.00 H new ATOM 0 HA SER A 33 12.287 17.226 2.660 1.00 0.00 H new ATOM 0 HB2 SER A 33 14.218 14.876 2.485 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.840 15.912 1.123 1.00 0.00 H new ATOM 0 HG SER A 33 15.736 16.613 2.259 1.00 0.00 H new ATOM 525 N GLU A 34 11.121 15.705 0.896 1.00 0.00 N ATOM 526 CA GLU A 34 10.118 14.979 0.126 1.00 0.00 C ATOM 527 C GLU A 34 10.633 13.603 -0.282 1.00 0.00 C ATOM 528 O GLU A 34 9.863 12.651 -0.403 1.00 0.00 O ATOM 529 CB GLU A 34 9.723 15.778 -1.118 1.00 0.00 C ATOM 530 CG GLU A 34 10.912 16.297 -1.910 1.00 0.00 C ATOM 531 CD GLU A 34 11.167 17.773 -1.677 1.00 0.00 C ATOM 532 OE1 GLU A 34 10.905 18.251 -0.554 1.00 0.00 O ATOM 533 OE2 GLU A 34 11.630 18.452 -2.619 1.00 0.00 O ATOM 0 H GLU A 34 11.522 16.510 0.414 1.00 0.00 H new ATOM 0 HA GLU A 34 9.240 14.844 0.758 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.113 15.148 -1.765 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.102 16.621 -0.816 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.802 15.730 -1.636 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.739 16.125 -2.972 1.00 0.00 H new ATOM 540 N GLU A 35 11.943 13.506 -0.492 1.00 0.00 N ATOM 541 CA GLU A 35 12.562 12.246 -0.885 1.00 0.00 C ATOM 542 C GLU A 35 12.327 11.170 0.170 1.00 0.00 C ATOM 543 O GLU A 35 12.175 9.992 -0.152 1.00 0.00 O ATOM 544 CB GLU A 35 14.063 12.439 -1.109 1.00 0.00 C ATOM 545 CG GLU A 35 14.414 12.915 -2.509 1.00 0.00 C ATOM 546 CD GLU A 35 15.910 13.022 -2.730 1.00 0.00 C ATOM 547 OE1 GLU A 35 16.502 14.038 -2.307 1.00 0.00 O ATOM 548 OE2 GLU A 35 16.491 12.090 -3.324 1.00 0.00 O ATOM 0 H GLU A 35 12.595 14.285 -0.396 1.00 0.00 H new ATOM 0 HA GLU A 35 12.101 11.920 -1.818 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.440 13.160 -0.384 1.00 0.00 H new ATOM 0 HB3 GLU A 35 14.575 11.496 -0.916 1.00 0.00 H new ATOM 0 HG2 GLU A 35 13.991 12.226 -3.240 1.00 0.00 H new ATOM 0 HG3 GLU A 35 13.954 13.888 -2.684 1.00 0.00 H new ATOM 555 N ASP A 36 12.299 11.585 1.433 1.00 0.00 N ATOM 556 CA ASP A 36 12.082 10.656 2.537 1.00 0.00 C ATOM 557 C ASP A 36 10.683 10.059 2.485 1.00 0.00 C ATOM 558 O ASP A 36 10.445 8.955 2.977 1.00 0.00 O ATOM 559 CB ASP A 36 12.304 11.359 3.877 1.00 0.00 C ATOM 560 CG ASP A 36 12.654 10.388 4.989 1.00 0.00 C ATOM 561 OD1 ASP A 36 13.710 9.727 4.889 1.00 0.00 O ATOM 562 OD2 ASP A 36 11.872 10.288 5.957 1.00 0.00 O ATOM 0 H ASP A 36 12.424 12.557 1.717 1.00 0.00 H new ATOM 0 HA ASP A 36 12.803 9.844 2.439 1.00 0.00 H new ATOM 0 HB2 ASP A 36 13.105 12.091 3.772 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.403 11.909 4.149 1.00 0.00 H new ATOM 567 N MET A 37 9.766 10.798 1.889 1.00 0.00 N ATOM 568 CA MET A 37 8.382 10.357 1.764 1.00 0.00 C ATOM 569 C MET A 37 8.264 9.207 0.769 1.00 0.00 C ATOM 570 O MET A 37 7.395 8.346 0.902 1.00 0.00 O ATOM 571 CB MET A 37 7.491 11.521 1.324 1.00 0.00 C ATOM 572 CG MET A 37 6.014 11.167 1.264 1.00 0.00 C ATOM 573 SD MET A 37 4.953 12.538 1.760 1.00 0.00 S ATOM 574 CE MET A 37 5.357 12.668 3.500 1.00 0.00 C ATOM 0 H MET A 37 9.953 11.713 1.480 1.00 0.00 H new ATOM 0 HA MET A 37 8.051 10.004 2.740 1.00 0.00 H new ATOM 0 HB2 MET A 37 7.629 12.354 2.013 1.00 0.00 H new ATOM 0 HB3 MET A 37 7.814 11.864 0.341 1.00 0.00 H new ATOM 0 HG2 MET A 37 5.758 10.863 0.249 1.00 0.00 H new ATOM 0 HG3 MET A 37 5.822 10.311 1.911 1.00 0.00 H new ATOM 0 HE1 MET A 37 4.440 12.653 4.089 1.00 0.00 H new ATOM 0 HE2 MET A 37 5.989 11.829 3.791 1.00 0.00 H new ATOM 0 HE3 MET A 37 5.889 13.602 3.681 1.00 0.00 H new ATOM 584 N VAL A 38 9.140 9.199 -0.229 1.00 0.00 N ATOM 585 CA VAL A 38 9.130 8.155 -1.245 1.00 0.00 C ATOM 586 C VAL A 38 9.675 6.841 -0.694 1.00 0.00 C ATOM 587 O VAL A 38 9.121 5.772 -0.949 1.00 0.00 O ATOM 588 CB VAL A 38 9.959 8.563 -2.478 1.00 0.00 C ATOM 589 CG1 VAL A 38 9.775 7.556 -3.603 1.00 0.00 C ATOM 590 CG2 VAL A 38 9.579 9.962 -2.937 1.00 0.00 C ATOM 0 H VAL A 38 9.866 9.904 -0.356 1.00 0.00 H new ATOM 0 HA VAL A 38 8.091 8.017 -1.543 1.00 0.00 H new ATOM 0 HB VAL A 38 11.012 8.571 -2.198 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.368 7.861 -4.465 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.102 6.572 -3.267 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.723 7.512 -3.884 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.175 10.233 -3.809 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.521 9.984 -3.199 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.768 10.673 -2.133 1.00 0.00 H new ATOM 600 N THR A 39 10.768 6.929 0.057 1.00 0.00 N ATOM 601 CA THR A 39 11.394 5.747 0.640 1.00 0.00 C ATOM 602 C THR A 39 10.518 5.133 1.729 1.00 0.00 C ATOM 603 O THR A 39 10.302 3.922 1.754 1.00 0.00 O ATOM 604 CB THR A 39 12.766 6.103 1.216 1.00 0.00 C ATOM 605 OG1 THR A 39 13.390 4.959 1.769 1.00 0.00 O ATOM 606 CG2 THR A 39 12.705 7.161 2.296 1.00 0.00 C ATOM 0 H THR A 39 11.239 7.807 0.276 1.00 0.00 H new ATOM 0 HA THR A 39 11.516 5.010 -0.154 1.00 0.00 H new ATOM 0 HB THR A 39 13.338 6.497 0.376 1.00 0.00 H new ATOM 0 HG1 THR A 39 14.266 5.207 2.131 1.00 0.00 H new ATOM 0 HG21 THR A 39 13.711 7.367 2.661 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.274 8.075 1.886 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.086 6.805 3.119 1.00 0.00 H new ATOM 614 N VAL A 40 10.022 5.974 2.631 1.00 0.00 N ATOM 615 CA VAL A 40 9.176 5.508 3.726 1.00 0.00 C ATOM 616 C VAL A 40 7.958 4.750 3.203 1.00 0.00 C ATOM 617 O VAL A 40 7.637 3.663 3.681 1.00 0.00 O ATOM 618 CB VAL A 40 8.717 6.680 4.623 1.00 0.00 C ATOM 619 CG1 VAL A 40 7.607 7.489 3.965 1.00 0.00 C ATOM 620 CG2 VAL A 40 8.275 6.168 5.985 1.00 0.00 C ATOM 0 H VAL A 40 10.190 6.980 2.626 1.00 0.00 H new ATOM 0 HA VAL A 40 9.780 4.827 4.326 1.00 0.00 H new ATOM 0 HB VAL A 40 9.569 7.345 4.761 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.310 8.304 4.625 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.966 7.899 3.021 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.749 6.844 3.777 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.955 7.007 6.603 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.445 5.472 5.860 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.107 5.657 6.469 1.00 0.00 H new ATOM 630 N VAL A 41 7.287 5.333 2.218 1.00 0.00 N ATOM 631 CA VAL A 41 6.106 4.715 1.626 1.00 0.00 C ATOM 632 C VAL A 41 6.480 3.459 0.846 1.00 0.00 C ATOM 633 O VAL A 41 5.715 2.495 0.797 1.00 0.00 O ATOM 634 CB VAL A 41 5.367 5.690 0.690 1.00 0.00 C ATOM 635 CG1 VAL A 41 4.078 5.067 0.173 1.00 0.00 C ATOM 636 CG2 VAL A 41 5.081 7.002 1.406 1.00 0.00 C ATOM 0 H VAL A 41 7.540 6.234 1.811 1.00 0.00 H new ATOM 0 HA VAL A 41 5.443 4.446 2.448 1.00 0.00 H new ATOM 0 HB VAL A 41 6.010 5.899 -0.165 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.572 5.772 -0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.310 4.156 -0.379 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.428 4.825 1.014 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.559 7.679 0.730 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.459 6.811 2.281 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.020 7.457 1.721 1.00 0.00 H new ATOM 646 N GLU A 42 7.661 3.476 0.236 1.00 0.00 N ATOM 647 CA GLU A 42 8.135 2.338 -0.543 1.00 0.00 C ATOM 648 C GLU A 42 8.477 1.161 0.366 1.00 0.00 C ATOM 649 O GLU A 42 8.187 0.009 0.041 1.00 0.00 O ATOM 650 CB GLU A 42 9.361 2.733 -1.367 1.00 0.00 C ATOM 651 CG GLU A 42 9.027 3.562 -2.597 1.00 0.00 C ATOM 652 CD GLU A 42 8.846 2.713 -3.839 1.00 0.00 C ATOM 653 OE1 GLU A 42 7.934 1.860 -3.849 1.00 0.00 O ATOM 654 OE2 GLU A 42 9.618 2.901 -4.804 1.00 0.00 O ATOM 0 H GLU A 42 8.307 4.265 0.266 1.00 0.00 H new ATOM 0 HA GLU A 42 7.335 2.033 -1.218 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.047 3.297 -0.735 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.885 1.830 -1.679 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.114 4.128 -2.412 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.823 4.287 -2.769 1.00 0.00 H new ATOM 661 N ASP A 43 9.093 1.459 1.504 1.00 0.00 N ATOM 662 CA ASP A 43 9.474 0.426 2.461 1.00 0.00 C ATOM 663 C ASP A 43 8.280 0.002 3.311 1.00 0.00 C ATOM 664 O ASP A 43 8.202 -1.139 3.764 1.00 0.00 O ATOM 665 CB ASP A 43 10.604 0.927 3.362 1.00 0.00 C ATOM 666 CG ASP A 43 11.533 -0.188 3.798 1.00 0.00 C ATOM 667 OD1 ASP A 43 11.235 -0.845 4.818 1.00 0.00 O ATOM 668 OD2 ASP A 43 12.559 -0.405 3.120 1.00 0.00 O ATOM 0 H ASP A 43 9.340 2.407 1.787 1.00 0.00 H new ATOM 0 HA ASP A 43 9.823 -0.441 1.900 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.177 1.688 2.832 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.177 1.406 4.243 1.00 0.00 H new ATOM 673 N TRP A 44 7.351 0.930 3.524 1.00 0.00 N ATOM 674 CA TRP A 44 6.161 0.652 4.319 1.00 0.00 C ATOM 675 C TRP A 44 5.362 -0.501 3.719 1.00 0.00 C ATOM 676 O TRP A 44 4.863 -1.365 4.439 1.00 0.00 O ATOM 677 CB TRP A 44 5.283 1.902 4.415 1.00 0.00 C ATOM 678 CG TRP A 44 5.527 2.706 5.656 1.00 0.00 C ATOM 679 CD1 TRP A 44 6.658 2.716 6.419 1.00 0.00 C ATOM 680 CD2 TRP A 44 4.615 3.619 6.278 1.00 0.00 C ATOM 681 NE1 TRP A 44 6.507 3.579 7.478 1.00 0.00 N ATOM 682 CE2 TRP A 44 5.261 4.145 7.413 1.00 0.00 C ATOM 683 CE3 TRP A 44 3.315 4.043 5.986 1.00 0.00 C ATOM 684 CZ2 TRP A 44 4.651 5.073 8.254 1.00 0.00 C ATOM 685 CZ3 TRP A 44 2.712 4.963 6.821 1.00 0.00 C ATOM 686 CH2 TRP A 44 3.379 5.470 7.943 1.00 0.00 C ATOM 0 H TRP A 44 7.400 1.880 3.157 1.00 0.00 H new ATOM 0 HA TRP A 44 6.482 0.364 5.320 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.462 2.531 3.543 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.235 1.604 4.384 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.543 2.131 6.220 1.00 0.00 H new ATOM 0 HE1 TRP A 44 7.208 3.767 8.195 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.792 3.658 5.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.163 5.465 9.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.708 5.297 6.605 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.879 6.189 8.576 1.00 0.00 H new ATOM 697 N MET A 45 5.243 -0.505 2.396 1.00 0.00 N ATOM 698 CA MET A 45 4.505 -1.552 1.698 1.00 0.00 C ATOM 699 C MET A 45 5.242 -2.884 1.778 1.00 0.00 C ATOM 700 O MET A 45 4.623 -3.943 1.877 1.00 0.00 O ATOM 701 CB MET A 45 4.287 -1.162 0.235 1.00 0.00 C ATOM 702 CG MET A 45 5.547 -0.675 -0.460 1.00 0.00 C ATOM 703 SD MET A 45 5.416 -0.733 -2.257 1.00 0.00 S ATOM 704 CE MET A 45 4.037 0.376 -2.531 1.00 0.00 C ATOM 0 H MET A 45 5.648 0.205 1.785 1.00 0.00 H new ATOM 0 HA MET A 45 3.536 -1.665 2.185 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.893 -2.022 -0.306 1.00 0.00 H new ATOM 0 HB3 MET A 45 3.530 -0.380 0.185 1.00 0.00 H new ATOM 0 HG2 MET A 45 5.757 0.348 -0.148 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.392 -1.285 -0.141 1.00 0.00 H new ATOM 0 HE1 MET A 45 3.282 -0.125 -3.138 1.00 0.00 H new ATOM 0 HE2 MET A 45 3.602 0.660 -1.573 1.00 0.00 H new ATOM 0 HE3 MET A 45 4.386 1.269 -3.050 1.00 0.00 H new ATOM 714 N ASN A 46 6.569 -2.824 1.733 1.00 0.00 N ATOM 715 CA ASN A 46 7.392 -4.026 1.800 1.00 0.00 C ATOM 716 C ASN A 46 7.141 -4.787 3.098 1.00 0.00 C ATOM 717 O ASN A 46 7.204 -6.016 3.130 1.00 0.00 O ATOM 718 CB ASN A 46 8.874 -3.661 1.686 1.00 0.00 C ATOM 719 CG ASN A 46 9.651 -4.654 0.846 1.00 0.00 C ATOM 720 OD1 ASN A 46 9.435 -5.864 0.934 1.00 0.00 O ATOM 721 ND2 ASN A 46 10.563 -4.149 0.023 1.00 0.00 N ATOM 0 H ASN A 46 7.097 -1.955 1.650 1.00 0.00 H new ATOM 0 HA ASN A 46 7.118 -4.671 0.965 1.00 0.00 H new ATOM 0 HB2 ASN A 46 8.968 -2.667 1.248 1.00 0.00 H new ATOM 0 HB3 ASN A 46 9.311 -3.613 2.683 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.117 -4.770 -0.567 1.00 0.00 H new ATOM 0 HD22 ASN A 46 10.710 -3.140 -0.019 1.00 0.00 H new ATOM 728 N PHE A 47 6.858 -4.047 4.166 1.00 0.00 N ATOM 729 CA PHE A 47 6.599 -4.653 5.467 1.00 0.00 C ATOM 730 C PHE A 47 5.232 -5.328 5.491 1.00 0.00 C ATOM 731 O PHE A 47 5.081 -6.427 6.025 1.00 0.00 O ATOM 732 CB PHE A 47 6.676 -3.594 6.569 1.00 0.00 C ATOM 733 CG PHE A 47 7.060 -4.152 7.910 1.00 0.00 C ATOM 734 CD1 PHE A 47 8.326 -4.672 8.123 1.00 0.00 C ATOM 735 CD2 PHE A 47 6.153 -4.155 8.958 1.00 0.00 C ATOM 736 CE1 PHE A 47 8.682 -5.185 9.356 1.00 0.00 C ATOM 737 CE2 PHE A 47 6.503 -4.667 10.193 1.00 0.00 C ATOM 738 CZ PHE A 47 7.769 -5.183 10.393 1.00 0.00 C ATOM 0 H PHE A 47 6.802 -3.029 4.156 1.00 0.00 H new ATOM 0 HA PHE A 47 7.362 -5.411 5.645 1.00 0.00 H new ATOM 0 HB2 PHE A 47 7.400 -2.832 6.280 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.709 -3.098 6.654 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.044 -4.677 7.316 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.162 -3.753 8.808 1.00 0.00 H new ATOM 0 HE1 PHE A 47 9.673 -5.587 9.509 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.787 -4.664 11.002 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.044 -5.584 11.357 1.00 0.00 H new ATOM 748 N TYR A 48 4.239 -4.664 4.908 1.00 0.00 N ATOM 749 CA TYR A 48 2.883 -5.201 4.863 1.00 0.00 C ATOM 750 C TYR A 48 2.818 -6.444 3.981 1.00 0.00 C ATOM 751 O TYR A 48 2.179 -7.434 4.333 1.00 0.00 O ATOM 752 CB TYR A 48 1.909 -4.140 4.346 1.00 0.00 C ATOM 753 CG TYR A 48 2.110 -2.776 4.968 1.00 0.00 C ATOM 754 CD1 TYR A 48 2.390 -2.643 6.323 1.00 0.00 C ATOM 755 CD2 TYR A 48 2.017 -1.621 4.201 1.00 0.00 C ATOM 756 CE1 TYR A 48 2.572 -1.398 6.895 1.00 0.00 C ATOM 757 CE2 TYR A 48 2.199 -0.374 4.765 1.00 0.00 C ATOM 758 CZ TYR A 48 2.477 -0.267 6.111 1.00 0.00 C ATOM 759 OH TYR A 48 2.659 0.975 6.678 1.00 0.00 O ATOM 0 H TYR A 48 4.347 -3.754 4.460 1.00 0.00 H new ATOM 0 HA TYR A 48 2.597 -5.483 5.876 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.017 -4.056 3.265 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.889 -4.471 4.539 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.467 -3.527 6.939 1.00 0.00 H new ATOM 0 HD2 TYR A 48 1.799 -1.700 3.146 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.787 -1.311 7.950 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.124 0.514 4.154 1.00 0.00 H new ATOM 0 HH TYR A 48 2.813 1.637 5.972 1.00 0.00 H new ATOM 769 N ILE A 49 3.485 -6.383 2.833 1.00 0.00 N ATOM 770 CA ILE A 49 3.503 -7.504 1.899 1.00 0.00 C ATOM 771 C ILE A 49 4.202 -8.714 2.511 1.00 0.00 C ATOM 772 O ILE A 49 3.836 -9.857 2.238 1.00 0.00 O ATOM 773 CB ILE A 49 4.207 -7.127 0.581 1.00 0.00 C ATOM 774 CG1 ILE A 49 3.612 -5.839 0.008 1.00 0.00 C ATOM 775 CG2 ILE A 49 4.093 -8.261 -0.427 1.00 0.00 C ATOM 776 CD1 ILE A 49 4.631 -4.955 -0.678 1.00 0.00 C ATOM 0 H ILE A 49 4.020 -5.570 2.527 1.00 0.00 H new ATOM 0 HA ILE A 49 2.465 -7.757 1.685 1.00 0.00 H new ATOM 0 HB ILE A 49 5.263 -6.957 0.789 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.828 -6.096 -0.704 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.139 -5.277 0.813 1.00 0.00 H new ATOM 0 HG21 ILE A 49 4.596 -7.978 -1.352 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.560 -9.158 -0.020 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.041 -8.461 -0.632 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.139 -4.061 -1.060 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.403 -4.668 0.036 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.087 -5.499 -1.505 1.00 0.00 H new ATOM 788 N ASN A 50 5.209 -8.454 3.337 1.00 0.00 N ATOM 789 CA ASN A 50 5.960 -9.523 3.985 1.00 0.00 C ATOM 790 C ASN A 50 5.081 -10.285 4.971 1.00 0.00 C ATOM 791 O ASN A 50 5.182 -11.506 5.094 1.00 0.00 O ATOM 792 CB ASN A 50 7.180 -8.951 4.711 1.00 0.00 C ATOM 793 CG ASN A 50 8.341 -8.690 3.770 1.00 0.00 C ATOM 794 OD1 ASN A 50 8.227 -8.875 2.558 1.00 0.00 O ATOM 795 ND2 ASN A 50 9.466 -8.256 4.325 1.00 0.00 N ATOM 0 H ASN A 50 5.524 -7.513 3.574 1.00 0.00 H new ATOM 0 HA ASN A 50 6.296 -10.216 3.213 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.902 -8.021 5.207 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.495 -9.646 5.489 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.280 -8.062 3.742 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.516 -8.117 5.334 1.00 0.00 H new ATOM 802 N TYR A 51 4.218 -9.558 5.672 1.00 0.00 N ATOM 803 CA TYR A 51 3.320 -10.166 6.647 1.00 0.00 C ATOM 804 C TYR A 51 2.182 -10.906 5.953 1.00 0.00 C ATOM 805 O TYR A 51 1.840 -12.028 6.325 1.00 0.00 O ATOM 806 CB TYR A 51 2.754 -9.098 7.585 1.00 0.00 C ATOM 807 CG TYR A 51 2.596 -9.568 9.014 1.00 0.00 C ATOM 808 CD1 TYR A 51 3.698 -9.970 9.759 1.00 0.00 C ATOM 809 CD2 TYR A 51 1.346 -9.608 9.618 1.00 0.00 C ATOM 810 CE1 TYR A 51 3.558 -10.400 11.065 1.00 0.00 C ATOM 811 CE2 TYR A 51 1.198 -10.036 10.924 1.00 0.00 C ATOM 812 CZ TYR A 51 2.306 -10.431 11.642 1.00 0.00 C ATOM 813 OH TYR A 51 2.163 -10.858 12.942 1.00 0.00 O ATOM 0 H TYR A 51 4.121 -8.546 5.583 1.00 0.00 H new ATOM 0 HA TYR A 51 3.893 -10.886 7.231 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.410 -8.227 7.568 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.784 -8.774 7.209 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.680 -9.946 9.310 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.475 -9.300 9.058 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.424 -10.710 11.630 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.219 -10.061 11.379 1.00 0.00 H new ATOM 0 HH TYR A 51 1.218 -10.818 13.197 1.00 0.00 H new ATOM 823 N TYR A 52 1.599 -10.269 4.942 1.00 0.00 N ATOM 824 CA TYR A 52 0.498 -10.867 4.195 1.00 0.00 C ATOM 825 C TYR A 52 0.929 -12.177 3.546 1.00 0.00 C ATOM 826 O TYR A 52 0.181 -13.155 3.542 1.00 0.00 O ATOM 827 CB TYR A 52 -0.007 -9.896 3.127 1.00 0.00 C ATOM 828 CG TYR A 52 -1.063 -8.937 3.629 1.00 0.00 C ATOM 829 CD1 TYR A 52 -2.174 -9.398 4.322 1.00 0.00 C ATOM 830 CD2 TYR A 52 -0.946 -7.570 3.409 1.00 0.00 C ATOM 831 CE1 TYR A 52 -3.142 -8.524 4.782 1.00 0.00 C ATOM 832 CE2 TYR A 52 -1.909 -6.689 3.866 1.00 0.00 C ATOM 833 CZ TYR A 52 -3.004 -7.171 4.552 1.00 0.00 C ATOM 834 OH TYR A 52 -3.965 -6.299 5.008 1.00 0.00 O ATOM 0 H TYR A 52 1.871 -9.339 4.622 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.310 -11.079 4.895 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.836 -9.324 2.740 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.414 -10.467 2.293 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.284 -10.457 4.505 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.089 -7.189 2.873 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -4.001 -8.899 5.318 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.804 -5.629 3.687 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.708 -5.962 5.891 1.00 0.00 H new ATOM 844 N ARG A 53 2.139 -12.190 2.997 1.00 0.00 N ATOM 845 CA ARG A 53 2.671 -13.380 2.344 1.00 0.00 C ATOM 846 C ARG A 53 2.737 -14.555 3.317 1.00 0.00 C ATOM 847 O ARG A 53 2.688 -15.716 2.906 1.00 0.00 O ATOM 848 CB ARG A 53 4.063 -13.097 1.776 1.00 0.00 C ATOM 849 CG ARG A 53 4.371 -13.871 0.505 1.00 0.00 C ATOM 850 CD ARG A 53 5.579 -13.298 -0.217 1.00 0.00 C ATOM 851 NE ARG A 53 6.036 -14.170 -1.296 1.00 0.00 N ATOM 852 CZ ARG A 53 7.205 -14.029 -1.919 1.00 0.00 C ATOM 853 NH1 ARG A 53 8.035 -13.053 -1.573 1.00 0.00 N ATOM 854 NH2 ARG A 53 7.544 -14.866 -2.889 1.00 0.00 N ATOM 0 H ARG A 53 2.770 -11.389 2.991 1.00 0.00 H new ATOM 0 HA ARG A 53 1.999 -13.645 1.528 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.153 -12.030 1.572 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.811 -13.342 2.530 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.555 -14.917 0.750 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.505 -13.846 -0.156 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.327 -12.319 -0.624 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.390 -13.148 0.496 1.00 0.00 H new ATOM 0 HE ARG A 53 5.424 -14.931 -1.590 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.779 -12.406 -0.827 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.929 -12.949 -2.053 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.910 -15.618 -3.158 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.439 -14.758 -3.366 1.00 0.00 H new ATOM 868 N GLN A 54 2.848 -14.250 4.605 1.00 0.00 N ATOM 869 CA GLN A 54 2.919 -15.284 5.632 1.00 0.00 C ATOM 870 C GLN A 54 1.526 -15.685 6.118 1.00 0.00 C ATOM 871 O GLN A 54 1.393 -16.430 7.089 1.00 0.00 O ATOM 872 CB GLN A 54 3.761 -14.797 6.813 1.00 0.00 C ATOM 873 CG GLN A 54 5.253 -15.019 6.630 1.00 0.00 C ATOM 874 CD GLN A 54 5.978 -15.228 7.945 1.00 0.00 C ATOM 875 OE1 GLN A 54 5.853 -16.277 8.576 1.00 0.00 O ATOM 876 NE2 GLN A 54 6.743 -14.226 8.365 1.00 0.00 N ATOM 0 H GLN A 54 2.891 -13.296 4.963 1.00 0.00 H new ATOM 0 HA GLN A 54 3.389 -16.162 5.189 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.577 -13.734 6.966 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.434 -15.310 7.717 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.411 -15.887 5.990 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.684 -14.160 6.115 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.818 -13.374 7.810 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.256 -14.309 9.243 1.00 0.00 H new ATOM 885 N GLN A 55 0.492 -15.191 5.441 1.00 0.00 N ATOM 886 CA GLN A 55 -0.882 -15.506 5.812 1.00 0.00 C ATOM 887 C GLN A 55 -1.747 -15.709 4.572 1.00 0.00 C ATOM 888 O GLN A 55 -2.885 -15.243 4.511 1.00 0.00 O ATOM 889 CB GLN A 55 -1.467 -14.389 6.679 1.00 0.00 C ATOM 890 CG GLN A 55 -1.163 -14.546 8.160 1.00 0.00 C ATOM 891 CD GLN A 55 0.008 -13.692 8.608 1.00 0.00 C ATOM 892 OE1 GLN A 55 1.145 -13.908 8.189 1.00 0.00 O ATOM 893 NE2 GLN A 55 -0.265 -12.716 9.465 1.00 0.00 N ATOM 0 H GLN A 55 0.581 -14.573 4.635 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.874 -16.434 6.384 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.076 -13.431 6.336 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.548 -14.360 6.539 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.047 -14.277 8.739 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.948 -15.593 8.374 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.222 -12.572 9.786 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.483 -12.109 9.802 1.00 0.00 H new ATOM 902 N VAL A 56 -1.198 -16.410 3.584 1.00 0.00 N ATOM 903 CA VAL A 56 -1.918 -16.676 2.342 1.00 0.00 C ATOM 904 C VAL A 56 -2.303 -18.149 2.241 1.00 0.00 C ATOM 905 O VAL A 56 -1.918 -18.959 3.084 1.00 0.00 O ATOM 906 CB VAL A 56 -1.088 -16.285 1.095 1.00 0.00 C ATOM 907 CG1 VAL A 56 -1.843 -15.274 0.245 1.00 0.00 C ATOM 908 CG2 VAL A 56 0.276 -15.736 1.490 1.00 0.00 C ATOM 0 H VAL A 56 -0.258 -16.804 3.619 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.818 -16.061 2.366 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.929 -17.187 0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.243 -15.012 -0.627 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.788 -15.707 -0.082 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.039 -14.378 0.834 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.835 -15.470 0.593 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.146 -14.850 2.112 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.825 -16.494 2.049 1.00 0.00 H new ATOM 918 N THR A 57 -3.056 -18.488 1.199 1.00 0.00 N ATOM 919 CA THR A 57 -3.488 -19.855 0.974 1.00 0.00 C ATOM 920 C THR A 57 -4.052 -20.006 -0.430 1.00 0.00 C ATOM 921 O THR A 57 -4.682 -19.093 -0.965 1.00 0.00 O ATOM 922 CB THR A 57 -4.543 -20.274 1.997 1.00 0.00 C ATOM 923 OG1 THR A 57 -5.446 -19.213 2.252 1.00 0.00 O ATOM 924 CG2 THR A 57 -3.957 -20.710 3.323 1.00 0.00 C ATOM 0 H THR A 57 -3.380 -17.825 0.494 1.00 0.00 H new ATOM 0 HA THR A 57 -2.618 -20.502 1.087 1.00 0.00 H new ATOM 0 HB THR A 57 -5.053 -21.127 1.549 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.114 -19.503 2.908 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.762 -20.993 4.001 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.297 -21.563 3.166 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.389 -19.887 3.758 1.00 0.00 H new ATOM 932 N GLY A 58 -3.815 -21.163 -1.015 1.00 0.00 N ATOM 933 CA GLY A 58 -4.291 -21.437 -2.354 1.00 0.00 C ATOM 934 C GLY A 58 -3.270 -22.182 -3.183 1.00 0.00 C ATOM 935 O GLY A 58 -2.713 -23.190 -2.746 1.00 0.00 O ATOM 0 H GLY A 58 -3.296 -21.928 -0.584 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.208 -22.023 -2.299 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.542 -20.498 -2.848 1.00 0.00 H new ATOM 939 N GLU A 59 -3.024 -21.680 -4.381 1.00 0.00 N ATOM 940 CA GLU A 59 -2.060 -22.289 -5.289 1.00 0.00 C ATOM 941 C GLU A 59 -0.885 -21.345 -5.537 1.00 0.00 C ATOM 942 O GLU A 59 -0.983 -20.143 -5.290 1.00 0.00 O ATOM 943 CB GLU A 59 -2.729 -22.650 -6.617 1.00 0.00 C ATOM 944 CG GLU A 59 -4.113 -23.260 -6.456 1.00 0.00 C ATOM 945 CD GLU A 59 -4.428 -24.282 -7.531 1.00 0.00 C ATOM 946 OE1 GLU A 59 -4.024 -25.453 -7.372 1.00 0.00 O ATOM 947 OE2 GLU A 59 -5.079 -23.911 -8.530 1.00 0.00 O ATOM 0 H GLU A 59 -3.481 -20.847 -4.752 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.685 -23.201 -4.825 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.806 -21.753 -7.231 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.092 -23.352 -7.156 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.186 -23.734 -5.477 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.861 -22.467 -6.483 1.00 0.00 H new ATOM 954 N PRO A 60 0.246 -21.879 -6.030 1.00 0.00 N ATOM 955 CA PRO A 60 1.440 -21.075 -6.308 1.00 0.00 C ATOM 956 C PRO A 60 1.124 -19.822 -7.120 1.00 0.00 C ATOM 957 O PRO A 60 1.496 -18.714 -6.739 1.00 0.00 O ATOM 958 CB PRO A 60 2.324 -22.027 -7.114 1.00 0.00 C ATOM 959 CG PRO A 60 1.920 -23.387 -6.662 1.00 0.00 C ATOM 960 CD PRO A 60 0.450 -23.304 -6.354 1.00 0.00 C ATOM 0 HA PRO A 60 1.906 -20.707 -5.394 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.167 -21.902 -8.185 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.381 -21.844 -6.923 1.00 0.00 H new ATOM 0 HG2 PRO A 60 2.115 -24.129 -7.436 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.486 -23.689 -5.781 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -0.157 -23.613 -7.205 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.178 -23.949 -5.518 1.00 0.00 H new ATOM 968 N GLN A 61 0.437 -20.009 -8.242 1.00 0.00 N ATOM 969 CA GLN A 61 0.072 -18.894 -9.109 1.00 0.00 C ATOM 970 C GLN A 61 -1.076 -18.086 -8.513 1.00 0.00 C ATOM 971 O GLN A 61 -1.156 -16.872 -8.703 1.00 0.00 O ATOM 972 CB GLN A 61 -0.315 -19.407 -10.498 1.00 0.00 C ATOM 973 CG GLN A 61 -1.323 -20.543 -10.467 1.00 0.00 C ATOM 974 CD GLN A 61 -2.116 -20.655 -11.754 1.00 0.00 C ATOM 975 OE1 GLN A 61 -1.548 -20.674 -12.847 1.00 0.00 O ATOM 976 NE2 GLN A 61 -3.436 -20.727 -11.632 1.00 0.00 N ATOM 0 H GLN A 61 0.122 -20.921 -8.572 1.00 0.00 H new ATOM 0 HA GLN A 61 0.939 -18.240 -9.198 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.727 -18.582 -11.079 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.583 -19.743 -11.015 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.801 -21.482 -10.284 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.009 -20.392 -9.634 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -3.864 -20.708 -10.707 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.022 -20.802 -12.464 1.00 0.00 H new ATOM 985 N GLU A 62 -1.966 -18.764 -7.794 1.00 0.00 N ATOM 986 CA GLU A 62 -3.108 -18.101 -7.176 1.00 0.00 C ATOM 987 C GLU A 62 -2.646 -17.097 -6.126 1.00 0.00 C ATOM 988 O GLU A 62 -3.048 -15.935 -6.145 1.00 0.00 O ATOM 989 CB GLU A 62 -4.044 -19.133 -6.543 1.00 0.00 C ATOM 990 CG GLU A 62 -5.318 -19.367 -7.338 1.00 0.00 C ATOM 991 CD GLU A 62 -6.539 -19.519 -6.453 1.00 0.00 C ATOM 992 OE1 GLU A 62 -6.603 -20.512 -5.697 1.00 0.00 O ATOM 993 OE2 GLU A 62 -7.430 -18.646 -6.514 1.00 0.00 O ATOM 0 H GLU A 62 -1.918 -19.769 -7.626 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.651 -17.563 -7.953 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.512 -20.078 -6.439 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.308 -18.804 -5.538 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.472 -18.533 -8.023 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.202 -20.263 -7.947 1.00 0.00 H new ATOM 1000 N ARG A 63 -1.794 -17.552 -5.213 1.00 0.00 N ATOM 1001 CA ARG A 63 -1.275 -16.694 -4.161 1.00 0.00 C ATOM 1002 C ARG A 63 -0.508 -15.519 -4.757 1.00 0.00 C ATOM 1003 O ARG A 63 -0.541 -14.409 -4.225 1.00 0.00 O ATOM 1004 CB ARG A 63 -0.368 -17.499 -3.230 1.00 0.00 C ATOM 1005 CG ARG A 63 0.904 -17.999 -3.896 1.00 0.00 C ATOM 1006 CD ARG A 63 1.880 -18.568 -2.879 1.00 0.00 C ATOM 1007 NE ARG A 63 1.225 -19.472 -1.937 1.00 0.00 N ATOM 1008 CZ ARG A 63 1.803 -19.936 -0.830 1.00 0.00 C ATOM 1009 NH1 ARG A 63 3.045 -19.584 -0.526 1.00 0.00 N ATOM 1010 NH2 ARG A 63 1.136 -20.755 -0.028 1.00 0.00 N ATOM 0 H ARG A 63 -1.450 -18.512 -5.183 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.114 -16.301 -3.587 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.100 -16.880 -2.374 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.925 -18.353 -2.844 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.654 -18.765 -4.630 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.378 -17.181 -4.438 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.676 -19.101 -3.399 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.349 -17.751 -2.331 1.00 0.00 H new ATOM 0 HE ARG A 63 0.269 -19.765 -2.139 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.562 -18.955 -1.141 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.483 -19.942 0.323 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.181 -21.029 -0.259 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.578 -21.111 0.820 1.00 0.00 H new ATOM 1024 N ASP A 64 0.178 -15.771 -5.868 1.00 0.00 N ATOM 1025 CA ASP A 64 0.950 -14.735 -6.541 1.00 0.00 C ATOM 1026 C ASP A 64 0.028 -13.726 -7.219 1.00 0.00 C ATOM 1027 O ASP A 64 0.332 -12.535 -7.279 1.00 0.00 O ATOM 1028 CB ASP A 64 1.885 -15.362 -7.576 1.00 0.00 C ATOM 1029 CG ASP A 64 3.212 -14.635 -7.672 1.00 0.00 C ATOM 1030 OD1 ASP A 64 3.929 -14.570 -6.651 1.00 0.00 O ATOM 1031 OD2 ASP A 64 3.535 -14.131 -8.769 1.00 0.00 O ATOM 0 H ASP A 64 0.214 -16.685 -6.320 1.00 0.00 H new ATOM 0 HA ASP A 64 1.544 -14.212 -5.792 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.063 -16.405 -7.316 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.399 -15.356 -8.552 1.00 0.00 H new ATOM 1036 N LYS A 65 -1.098 -14.213 -7.728 1.00 0.00 N ATOM 1037 CA LYS A 65 -2.066 -13.356 -8.405 1.00 0.00 C ATOM 1038 C LYS A 65 -2.565 -12.253 -7.476 1.00 0.00 C ATOM 1039 O LYS A 65 -2.625 -11.086 -7.860 1.00 0.00 O ATOM 1040 CB LYS A 65 -3.248 -14.188 -8.911 1.00 0.00 C ATOM 1041 CG LYS A 65 -3.688 -13.824 -10.319 1.00 0.00 C ATOM 1042 CD LYS A 65 -4.876 -12.873 -10.304 1.00 0.00 C ATOM 1043 CE LYS A 65 -4.446 -11.439 -10.568 1.00 0.00 C ATOM 1044 NZ LYS A 65 -3.597 -11.329 -11.786 1.00 0.00 N ATOM 0 H LYS A 65 -1.364 -15.197 -7.685 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.568 -12.889 -9.255 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.976 -15.243 -8.885 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.090 -14.059 -8.231 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.858 -13.362 -10.853 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.953 -14.730 -10.864 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.600 -13.182 -11.058 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.378 -12.931 -9.338 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.329 -10.811 -10.683 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.896 -11.061 -9.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.786 -10.423 -12.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.594 -11.375 -11.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.817 -12.112 -12.434 1.00 0.00 H new ATOM 1058 N ALA A 66 -2.922 -12.631 -6.253 1.00 0.00 N ATOM 1059 CA ALA A 66 -3.417 -11.672 -5.273 1.00 0.00 C ATOM 1060 C ALA A 66 -2.285 -10.805 -4.734 1.00 0.00 C ATOM 1061 O ALA A 66 -2.489 -9.640 -4.394 1.00 0.00 O ATOM 1062 CB ALA A 66 -4.118 -12.397 -4.133 1.00 0.00 C ATOM 0 H ALA A 66 -2.878 -13.593 -5.918 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.135 -11.019 -5.770 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.483 -11.669 -3.408 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.958 -12.969 -4.527 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.416 -13.073 -3.646 1.00 0.00 H new ATOM 1068 N LEU A 67 -1.091 -11.382 -4.655 1.00 0.00 N ATOM 1069 CA LEU A 67 0.073 -10.665 -4.154 1.00 0.00 C ATOM 1070 C LEU A 67 0.603 -9.684 -5.197 1.00 0.00 C ATOM 1071 O LEU A 67 1.138 -8.629 -4.857 1.00 0.00 O ATOM 1072 CB LEU A 67 1.169 -11.650 -3.755 1.00 0.00 C ATOM 1073 CG LEU A 67 1.717 -11.470 -2.339 1.00 0.00 C ATOM 1074 CD1 LEU A 67 2.199 -10.043 -2.130 1.00 0.00 C ATOM 1075 CD2 LEU A 67 0.657 -11.835 -1.310 1.00 0.00 C ATOM 0 H LEU A 67 -0.905 -12.346 -4.932 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.232 -10.097 -3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.778 -12.663 -3.851 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.994 -11.558 -4.462 1.00 0.00 H new ATOM 0 HG LEU A 67 2.567 -12.139 -2.209 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.585 -9.934 -1.117 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.989 -9.817 -2.846 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.368 -9.353 -2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.062 -11.702 -0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.212 -11.190 -1.439 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.361 -12.875 -1.446 1.00 0.00 H new ATOM 1087 N GLN A 68 0.450 -10.041 -6.468 1.00 0.00 N ATOM 1088 CA GLN A 68 0.914 -9.196 -7.561 1.00 0.00 C ATOM 1089 C GLN A 68 0.065 -7.933 -7.677 1.00 0.00 C ATOM 1090 O GLN A 68 0.576 -6.857 -7.988 1.00 0.00 O ATOM 1091 CB GLN A 68 0.879 -9.969 -8.881 1.00 0.00 C ATOM 1092 CG GLN A 68 2.094 -10.857 -9.099 1.00 0.00 C ATOM 1093 CD GLN A 68 2.006 -11.660 -10.382 1.00 0.00 C ATOM 1094 OE1 GLN A 68 1.281 -12.652 -10.457 1.00 0.00 O ATOM 1095 NE2 GLN A 68 2.746 -11.235 -11.399 1.00 0.00 N ATOM 0 H GLN A 68 0.008 -10.911 -6.766 1.00 0.00 H new ATOM 0 HA GLN A 68 1.941 -8.901 -7.345 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.020 -10.585 -8.908 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.805 -9.260 -9.706 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.992 -10.239 -9.122 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.198 -11.538 -8.255 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.333 -10.407 -11.292 1.00 0.00 H new ATOM 0 HE22 GLN A 68 2.728 -11.736 -12.287 1.00 0.00 H new ATOM 1104 N GLU A 69 -1.233 -8.072 -7.428 1.00 0.00 N ATOM 1105 CA GLU A 69 -2.149 -6.941 -7.507 1.00 0.00 C ATOM 1106 C GLU A 69 -1.984 -6.019 -6.310 1.00 0.00 C ATOM 1107 O GLU A 69 -2.195 -4.810 -6.411 1.00 0.00 O ATOM 1108 CB GLU A 69 -3.596 -7.426 -7.605 1.00 0.00 C ATOM 1109 CG GLU A 69 -4.609 -6.299 -7.731 1.00 0.00 C ATOM 1110 CD GLU A 69 -5.048 -6.068 -9.164 1.00 0.00 C ATOM 1111 OE1 GLU A 69 -5.965 -6.780 -9.626 1.00 0.00 O ATOM 1112 OE2 GLU A 69 -4.475 -5.175 -9.824 1.00 0.00 O ATOM 0 H GLU A 69 -1.673 -8.955 -7.170 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.907 -6.377 -8.408 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.691 -8.087 -8.467 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.832 -8.019 -6.721 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.482 -6.530 -7.120 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.176 -5.380 -7.335 1.00 0.00 H new ATOM 1119 N LEU A 70 -1.592 -6.589 -5.180 1.00 0.00 N ATOM 1120 CA LEU A 70 -1.382 -5.811 -3.968 1.00 0.00 C ATOM 1121 C LEU A 70 -0.460 -4.630 -4.255 1.00 0.00 C ATOM 1122 O LEU A 70 -0.550 -3.585 -3.610 1.00 0.00 O ATOM 1123 CB LEU A 70 -0.783 -6.691 -2.868 1.00 0.00 C ATOM 1124 CG LEU A 70 -1.337 -6.439 -1.465 1.00 0.00 C ATOM 1125 CD1 LEU A 70 -1.175 -7.678 -0.597 1.00 0.00 C ATOM 1126 CD2 LEU A 70 -0.644 -5.243 -0.828 1.00 0.00 C ATOM 0 H LEU A 70 -1.413 -7.588 -5.077 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.345 -5.432 -3.626 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.953 -7.736 -3.127 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.296 -6.539 -2.849 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.401 -6.216 -1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.575 -7.480 0.398 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.716 -8.511 -1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.118 -7.932 -0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.049 -5.077 0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.426 -5.438 -0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.812 -4.357 -1.440 1.00 0.00 H new ATOM 1138 N ARG A 71 0.426 -4.810 -5.230 1.00 0.00 N ATOM 1139 CA ARG A 71 1.370 -3.765 -5.609 1.00 0.00 C ATOM 1140 C ARG A 71 0.653 -2.596 -6.277 1.00 0.00 C ATOM 1141 O ARG A 71 0.945 -1.434 -5.998 1.00 0.00 O ATOM 1142 CB ARG A 71 2.436 -4.329 -6.551 1.00 0.00 C ATOM 1143 CG ARG A 71 3.801 -3.684 -6.380 1.00 0.00 C ATOM 1144 CD ARG A 71 4.772 -4.143 -7.456 1.00 0.00 C ATOM 1145 NE ARG A 71 6.001 -3.352 -7.458 1.00 0.00 N ATOM 1146 CZ ARG A 71 6.063 -2.079 -7.839 1.00 0.00 C ATOM 1147 NH1 ARG A 71 4.970 -1.449 -8.252 1.00 0.00 N ATOM 1148 NH2 ARG A 71 7.221 -1.434 -7.810 1.00 0.00 N ATOM 0 H ARG A 71 0.510 -5.670 -5.772 1.00 0.00 H new ATOM 0 HA ARG A 71 1.851 -3.400 -4.701 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.527 -5.402 -6.383 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.106 -4.195 -7.581 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.700 -2.599 -6.418 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.201 -3.932 -5.397 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.017 -5.193 -7.299 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.292 -4.070 -8.432 1.00 0.00 H new ATOM 0 HE ARG A 71 6.862 -3.803 -7.149 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.077 -1.941 -8.278 1.00 0.00 H new ATOM 0 HH12 ARG A 71 5.023 -0.473 -8.543 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.064 -1.914 -7.496 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.269 -0.458 -8.102 1.00 0.00 H new ATOM 1162 N GLN A 72 -0.286 -2.913 -7.163 1.00 0.00 N ATOM 1163 CA GLN A 72 -1.043 -1.890 -7.873 1.00 0.00 C ATOM 1164 C GLN A 72 -1.819 -1.009 -6.899 1.00 0.00 C ATOM 1165 O GLN A 72 -1.884 0.209 -7.066 1.00 0.00 O ATOM 1166 CB GLN A 72 -2.007 -2.537 -8.870 1.00 0.00 C ATOM 1167 CG GLN A 72 -1.374 -2.843 -10.218 1.00 0.00 C ATOM 1168 CD GLN A 72 -1.678 -1.781 -11.257 1.00 0.00 C ATOM 1169 OE1 GLN A 72 -2.815 -1.643 -11.706 1.00 0.00 O ATOM 1170 NE2 GLN A 72 -0.658 -1.024 -11.644 1.00 0.00 N ATOM 0 H GLN A 72 -0.540 -3.870 -7.406 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.335 -1.264 -8.416 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.393 -3.462 -8.441 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.860 -1.875 -9.020 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.294 -2.930 -10.097 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.734 -3.808 -10.574 1.00 0.00 H new ATOM 0 HE21 GLN A 72 0.269 -1.174 -11.245 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -0.801 -0.293 -12.341 1.00 0.00 H new ATOM 1179 N GLU A 73 -2.405 -1.631 -5.882 1.00 0.00 N ATOM 1180 CA GLU A 73 -3.176 -0.902 -4.883 1.00 0.00 C ATOM 1181 C GLU A 73 -2.296 0.099 -4.141 1.00 0.00 C ATOM 1182 O GLU A 73 -2.624 1.283 -4.054 1.00 0.00 O ATOM 1183 CB GLU A 73 -3.811 -1.876 -3.888 1.00 0.00 C ATOM 1184 CG GLU A 73 -4.663 -2.948 -4.546 1.00 0.00 C ATOM 1185 CD GLU A 73 -6.045 -2.448 -4.921 1.00 0.00 C ATOM 1186 OE1 GLU A 73 -6.141 -1.337 -5.484 1.00 0.00 O ATOM 1187 OE2 GLU A 73 -7.031 -3.166 -4.651 1.00 0.00 O ATOM 0 H GLU A 73 -2.361 -2.638 -5.728 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.965 -0.354 -5.398 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.022 -2.356 -3.308 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.427 -1.315 -3.185 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.157 -3.310 -5.441 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.759 -3.797 -3.869 1.00 0.00 H new ATOM 1194 N LEU A 74 -1.179 -0.385 -3.607 1.00 0.00 N ATOM 1195 CA LEU A 74 -0.252 0.468 -2.873 1.00 0.00 C ATOM 1196 C LEU A 74 0.445 1.451 -3.807 1.00 0.00 C ATOM 1197 O LEU A 74 0.733 2.586 -3.428 1.00 0.00 O ATOM 1198 CB LEU A 74 0.788 -0.385 -2.143 1.00 0.00 C ATOM 1199 CG LEU A 74 0.214 -1.414 -1.168 1.00 0.00 C ATOM 1200 CD1 LEU A 74 1.114 -2.637 -1.091 1.00 0.00 C ATOM 1201 CD2 LEU A 74 0.031 -0.797 0.210 1.00 0.00 C ATOM 0 H LEU A 74 -0.894 -1.363 -3.669 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.825 1.038 -2.142 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.392 -0.908 -2.885 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.459 0.277 -1.595 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.762 -1.730 -1.536 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.689 -3.358 -0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.194 -3.092 -2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.104 -2.339 -0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.378 -1.543 0.891 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.995 -0.453 0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.655 0.048 0.142 1.00 0.00 H new ATOM 1213 N ASN A 75 0.717 1.005 -5.030 1.00 0.00 N ATOM 1214 CA ASN A 75 1.383 1.845 -6.019 1.00 0.00 C ATOM 1215 C ASN A 75 0.570 3.105 -6.303 1.00 0.00 C ATOM 1216 O ASN A 75 1.096 4.217 -6.262 1.00 0.00 O ATOM 1217 CB ASN A 75 1.604 1.065 -7.316 1.00 0.00 C ATOM 1218 CG ASN A 75 2.433 1.838 -8.322 1.00 0.00 C ATOM 1219 OD1 ASN A 75 3.620 1.568 -8.505 1.00 0.00 O ATOM 1220 ND2 ASN A 75 1.810 2.808 -8.982 1.00 0.00 N ATOM 0 H ASN A 75 0.487 0.067 -5.359 1.00 0.00 H new ATOM 0 HA ASN A 75 2.349 2.143 -5.612 1.00 0.00 H new ATOM 0 HB2 ASN A 75 2.100 0.121 -7.089 1.00 0.00 H new ATOM 0 HB3 ASN A 75 0.638 0.819 -7.758 1.00 0.00 H new ATOM 0 HD21 ASN A 75 2.317 3.363 -9.672 1.00 0.00 H new ATOM 0 HD22 ASN A 75 0.825 2.998 -8.799 1.00 0.00 H new ATOM 1227 N THR A 76 -0.715 2.923 -6.591 1.00 0.00 N ATOM 1228 CA THR A 76 -1.598 4.041 -6.881 1.00 0.00 C ATOM 1229 C THR A 76 -1.987 4.784 -5.613 1.00 0.00 C ATOM 1230 O THR A 76 -2.116 6.006 -5.622 1.00 0.00 O ATOM 1231 CB THR A 76 -2.858 3.574 -7.588 1.00 0.00 C ATOM 1232 OG1 THR A 76 -3.255 2.293 -7.126 1.00 0.00 O ATOM 1233 CG2 THR A 76 -2.719 3.509 -9.094 1.00 0.00 C ATOM 0 H THR A 76 -1.166 2.009 -6.629 1.00 0.00 H new ATOM 0 HA THR A 76 -1.047 4.718 -7.535 1.00 0.00 H new ATOM 0 HB THR A 76 -3.612 4.324 -7.349 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.767 1.601 -7.620 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.657 3.168 -9.532 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.477 4.499 -9.480 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.922 2.813 -9.356 1.00 0.00 H new ATOM 1241 N LEU A 77 -2.189 4.045 -4.527 1.00 0.00 N ATOM 1242 CA LEU A 77 -2.577 4.656 -3.261 1.00 0.00 C ATOM 1243 C LEU A 77 -1.640 5.811 -2.937 1.00 0.00 C ATOM 1244 O LEU A 77 -2.031 6.789 -2.298 1.00 0.00 O ATOM 1245 CB LEU A 77 -2.545 3.621 -2.134 1.00 0.00 C ATOM 1246 CG LEU A 77 -3.829 2.805 -1.969 1.00 0.00 C ATOM 1247 CD1 LEU A 77 -3.570 1.569 -1.121 1.00 0.00 C ATOM 1248 CD2 LEU A 77 -4.925 3.658 -1.351 1.00 0.00 C ATOM 0 H LEU A 77 -2.091 3.030 -4.498 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.595 5.035 -3.352 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.717 2.935 -2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.335 4.134 -1.196 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.161 2.480 -2.955 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.494 1.001 -1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.816 0.948 -1.604 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.214 1.871 -0.136 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.831 3.062 -1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.602 4.012 -0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.129 4.512 -1.997 1.00 0.00 H new ATOM 1260 N ALA A 78 -0.406 5.697 -3.410 1.00 0.00 N ATOM 1261 CA ALA A 78 0.594 6.732 -3.210 1.00 0.00 C ATOM 1262 C ALA A 78 0.284 7.964 -4.061 1.00 0.00 C ATOM 1263 O ALA A 78 0.657 9.082 -3.702 1.00 0.00 O ATOM 1264 CB ALA A 78 1.980 6.197 -3.536 1.00 0.00 C ATOM 0 H ALA A 78 -0.074 4.890 -3.939 1.00 0.00 H new ATOM 0 HA ALA A 78 0.571 7.030 -2.162 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.719 6.983 -3.382 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.207 5.353 -2.885 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.009 5.871 -4.576 1.00 0.00 H new ATOM 1270 N ASN A 79 -0.384 7.757 -5.202 1.00 0.00 N ATOM 1271 CA ASN A 79 -0.716 8.862 -6.103 1.00 0.00 C ATOM 1272 C ASN A 79 -1.387 10.023 -5.364 1.00 0.00 C ATOM 1273 O ASN A 79 -0.922 11.160 -5.441 1.00 0.00 O ATOM 1274 CB ASN A 79 -1.625 8.371 -7.231 1.00 0.00 C ATOM 1275 CG ASN A 79 -1.284 9.005 -8.565 1.00 0.00 C ATOM 1276 OD1 ASN A 79 -1.345 10.225 -8.719 1.00 0.00 O ATOM 1277 ND2 ASN A 79 -0.925 8.177 -9.540 1.00 0.00 N ATOM 0 H ASN A 79 -0.702 6.841 -5.520 1.00 0.00 H new ATOM 0 HA ASN A 79 0.220 9.231 -6.522 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.542 7.287 -7.315 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.662 8.593 -6.981 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.686 8.546 -10.460 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.888 7.172 -9.368 1.00 0.00 H new ATOM 1284 N PRO A 80 -2.489 9.761 -4.637 1.00 0.00 N ATOM 1285 CA PRO A 80 -3.205 10.803 -3.893 1.00 0.00 C ATOM 1286 C PRO A 80 -2.378 11.366 -2.742 1.00 0.00 C ATOM 1287 O PRO A 80 -2.305 12.580 -2.553 1.00 0.00 O ATOM 1288 CB PRO A 80 -4.444 10.081 -3.359 1.00 0.00 C ATOM 1289 CG PRO A 80 -4.064 8.642 -3.330 1.00 0.00 C ATOM 1290 CD PRO A 80 -3.125 8.440 -4.486 1.00 0.00 C ATOM 0 HA PRO A 80 -3.438 11.661 -4.523 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -4.713 10.439 -2.365 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -5.308 10.249 -4.003 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -3.583 8.384 -2.387 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.943 8.004 -3.425 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.391 7.661 -4.278 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.657 8.143 -5.390 1.00 0.00 H new ATOM 1298 N PHE A 81 -1.757 10.476 -1.975 1.00 0.00 N ATOM 1299 CA PHE A 81 -0.937 10.884 -0.841 1.00 0.00 C ATOM 1300 C PHE A 81 0.224 11.762 -1.296 1.00 0.00 C ATOM 1301 O PHE A 81 0.450 12.843 -0.750 1.00 0.00 O ATOM 1302 CB PHE A 81 -0.401 9.655 -0.103 1.00 0.00 C ATOM 1303 CG PHE A 81 -0.050 9.924 1.333 1.00 0.00 C ATOM 1304 CD1 PHE A 81 -0.940 10.584 2.166 1.00 0.00 C ATOM 1305 CD2 PHE A 81 1.169 9.515 1.849 1.00 0.00 C ATOM 1306 CE1 PHE A 81 -0.619 10.832 3.486 1.00 0.00 C ATOM 1307 CE2 PHE A 81 1.495 9.761 3.169 1.00 0.00 C ATOM 1308 CZ PHE A 81 0.600 10.420 3.989 1.00 0.00 C ATOM 0 H PHE A 81 -1.806 9.467 -2.118 1.00 0.00 H new ATOM 0 HA PHE A 81 -1.564 11.463 -0.163 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -1.148 8.862 -0.144 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.484 9.286 -0.622 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -1.895 10.908 1.778 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.872 8.998 1.213 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -1.321 11.348 4.125 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.449 9.438 3.559 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.853 10.613 5.021 1.00 0.00 H new ATOM 1318 N LEU A 82 0.958 11.292 -2.299 1.00 0.00 N ATOM 1319 CA LEU A 82 2.097 12.035 -2.828 1.00 0.00 C ATOM 1320 C LEU A 82 1.639 13.316 -3.516 1.00 0.00 C ATOM 1321 O LEU A 82 2.239 14.377 -3.337 1.00 0.00 O ATOM 1322 CB LEU A 82 2.886 11.169 -3.810 1.00 0.00 C ATOM 1323 CG LEU A 82 3.896 10.216 -3.168 1.00 0.00 C ATOM 1324 CD1 LEU A 82 4.338 9.155 -4.164 1.00 0.00 C ATOM 1325 CD2 LEU A 82 5.095 10.989 -2.642 1.00 0.00 C ATOM 0 H LEU A 82 0.785 10.400 -2.762 1.00 0.00 H new ATOM 0 HA LEU A 82 2.743 12.304 -1.992 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.182 10.583 -4.401 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.416 11.823 -4.502 1.00 0.00 H new ATOM 0 HG LEU A 82 3.413 9.716 -2.328 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.056 8.487 -3.689 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.471 8.582 -4.493 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.804 9.635 -5.025 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.804 10.296 -2.188 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.578 11.515 -3.465 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.764 11.710 -1.895 1.00 0.00 H new ATOM 1337 N ALA A 83 0.575 13.212 -4.305 1.00 0.00 N ATOM 1338 CA ALA A 83 0.038 14.362 -5.021 1.00 0.00 C ATOM 1339 C ALA A 83 -0.374 15.469 -4.056 1.00 0.00 C ATOM 1340 O ALA A 83 -0.072 16.641 -4.275 1.00 0.00 O ATOM 1341 CB ALA A 83 -1.144 13.943 -5.882 1.00 0.00 C ATOM 0 H ALA A 83 0.067 12.342 -4.465 1.00 0.00 H new ATOM 0 HA ALA A 83 0.824 14.754 -5.667 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.535 14.812 -6.411 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.820 13.194 -6.604 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.925 13.522 -5.248 1.00 0.00 H new ATOM 1347 N LYS A 84 -1.064 15.087 -2.986 1.00 0.00 N ATOM 1348 CA LYS A 84 -1.518 16.048 -1.987 1.00 0.00 C ATOM 1349 C LYS A 84 -0.333 16.708 -1.290 1.00 0.00 C ATOM 1350 O LYS A 84 -0.339 17.914 -1.044 1.00 0.00 O ATOM 1351 CB LYS A 84 -2.413 15.359 -0.955 1.00 0.00 C ATOM 1352 CG LYS A 84 -3.821 15.083 -1.459 1.00 0.00 C ATOM 1353 CD LYS A 84 -4.849 15.233 -0.350 1.00 0.00 C ATOM 1354 CE LYS A 84 -6.162 14.559 -0.713 1.00 0.00 C ATOM 1355 NZ LYS A 84 -7.144 14.619 0.405 1.00 0.00 N ATOM 0 H LYS A 84 -1.321 14.120 -2.789 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.093 16.821 -2.497 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.952 14.418 -0.657 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.471 15.982 -0.063 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -4.059 15.769 -2.272 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.871 14.074 -1.869 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.459 14.799 0.571 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.024 16.291 -0.155 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -6.586 15.040 -1.595 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -5.975 13.518 -0.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.026 14.149 0.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -6.751 14.138 1.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.342 15.613 0.640 1.00 0.00 H new ATOM 1369 N TYR A 85 0.682 15.910 -0.974 1.00 0.00 N ATOM 1370 CA TYR A 85 1.873 16.418 -0.304 1.00 0.00 C ATOM 1371 C TYR A 85 2.695 17.293 -1.246 1.00 0.00 C ATOM 1372 O TYR A 85 3.164 18.364 -0.864 1.00 0.00 O ATOM 1373 CB TYR A 85 2.727 15.258 0.212 1.00 0.00 C ATOM 1374 CG TYR A 85 2.508 14.948 1.675 1.00 0.00 C ATOM 1375 CD1 TYR A 85 1.532 14.043 2.074 1.00 0.00 C ATOM 1376 CD2 TYR A 85 3.278 15.559 2.657 1.00 0.00 C ATOM 1377 CE1 TYR A 85 1.329 13.757 3.410 1.00 0.00 C ATOM 1378 CE2 TYR A 85 3.080 15.277 3.996 1.00 0.00 C ATOM 1379 CZ TYR A 85 2.105 14.375 4.367 1.00 0.00 C ATOM 1380 OH TYR A 85 1.906 14.092 5.699 1.00 0.00 O ATOM 0 H TYR A 85 0.703 14.909 -1.171 1.00 0.00 H new ATOM 0 HA TYR A 85 1.553 17.027 0.541 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.508 14.367 -0.376 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.779 15.494 0.053 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.922 13.555 1.328 1.00 0.00 H new ATOM 0 HD2 TYR A 85 4.043 16.265 2.370 1.00 0.00 H new ATOM 0 HE1 TYR A 85 0.565 13.052 3.704 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.686 15.761 4.748 1.00 0.00 H new ATOM 0 HH TYR A 85 2.536 14.611 6.241 1.00 0.00 H new ATOM 1390 N ARG A 86 2.866 16.828 -2.479 1.00 0.00 N ATOM 1391 CA ARG A 86 3.632 17.568 -3.476 1.00 0.00 C ATOM 1392 C ARG A 86 3.008 18.934 -3.739 1.00 0.00 C ATOM 1393 O ARG A 86 3.708 19.896 -4.053 1.00 0.00 O ATOM 1394 CB ARG A 86 3.714 16.772 -4.780 1.00 0.00 C ATOM 1395 CG ARG A 86 5.052 16.905 -5.489 1.00 0.00 C ATOM 1396 CD ARG A 86 5.982 15.752 -5.145 1.00 0.00 C ATOM 1397 NE ARG A 86 7.186 15.754 -5.973 1.00 0.00 N ATOM 1398 CZ ARG A 86 7.223 15.310 -7.227 1.00 0.00 C ATOM 1399 NH1 ARG A 86 6.129 14.828 -7.801 1.00 0.00 N ATOM 1400 NH2 ARG A 86 8.360 15.349 -7.910 1.00 0.00 N ATOM 0 H ARG A 86 2.485 15.942 -2.812 1.00 0.00 H new ATOM 0 HA ARG A 86 4.639 17.718 -3.086 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.528 15.719 -4.566 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.922 17.106 -5.450 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.892 16.936 -6.567 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.521 17.848 -5.209 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.265 15.815 -4.094 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.453 14.808 -5.277 1.00 0.00 H new ATOM 0 HE ARG A 86 8.048 16.117 -5.566 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.252 14.796 -7.281 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.164 14.489 -8.762 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.205 15.719 -7.474 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.389 15.009 -8.871 1.00 0.00 H new ATOM 1414 N ASP A 87 1.687 19.011 -3.608 1.00 0.00 N ATOM 1415 CA ASP A 87 0.969 20.261 -3.832 1.00 0.00 C ATOM 1416 C ASP A 87 1.176 21.226 -2.669 1.00 0.00 C ATOM 1417 O ASP A 87 1.191 22.442 -2.854 1.00 0.00 O ATOM 1418 CB ASP A 87 -0.524 19.988 -4.023 1.00 0.00 C ATOM 1419 CG ASP A 87 -1.259 21.181 -4.602 1.00 0.00 C ATOM 1420 OD1 ASP A 87 -0.790 22.321 -4.408 1.00 0.00 O ATOM 1421 OD2 ASP A 87 -2.305 20.974 -5.254 1.00 0.00 O ATOM 0 H ASP A 87 1.093 18.224 -3.348 1.00 0.00 H new ATOM 0 HA ASP A 87 1.367 20.721 -4.736 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -0.652 19.130 -4.683 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.968 19.722 -3.064 1.00 0.00 H new ATOM 1426 N PHE A 88 1.338 20.674 -1.471 1.00 0.00 N ATOM 1427 CA PHE A 88 1.544 21.487 -0.277 1.00 0.00 C ATOM 1428 C PHE A 88 2.974 22.013 -0.217 1.00 0.00 C ATOM 1429 O PHE A 88 3.200 23.202 0.005 1.00 0.00 O ATOM 1430 CB PHE A 88 1.235 20.671 0.980 1.00 0.00 C ATOM 1431 CG PHE A 88 0.708 21.500 2.118 1.00 0.00 C ATOM 1432 CD1 PHE A 88 1.381 22.638 2.533 1.00 0.00 C ATOM 1433 CD2 PHE A 88 -0.460 21.141 2.771 1.00 0.00 C ATOM 1434 CE1 PHE A 88 0.898 23.403 3.578 1.00 0.00 C ATOM 1435 CE2 PHE A 88 -0.947 21.901 3.817 1.00 0.00 C ATOM 1436 CZ PHE A 88 -0.267 23.033 4.220 1.00 0.00 C ATOM 0 H PHE A 88 1.331 19.668 -1.301 1.00 0.00 H new ATOM 0 HA PHE A 88 0.865 22.338 -0.326 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.504 19.901 0.733 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.141 20.159 1.303 1.00 0.00 H new ATOM 0 HD1 PHE A 88 2.293 22.931 2.034 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -0.996 20.257 2.459 1.00 0.00 H new ATOM 0 HE1 PHE A 88 1.431 24.288 3.892 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -1.858 21.610 4.319 1.00 0.00 H new ATOM 0 HZ PHE A 88 -0.646 23.629 5.037 1.00 0.00 H new ATOM 1446 N LEU A 89 3.937 21.119 -0.416 1.00 0.00 N ATOM 1447 CA LEU A 89 5.348 21.494 -0.385 1.00 0.00 C ATOM 1448 C LEU A 89 6.026 21.181 -1.716 1.00 0.00 C ATOM 1449 O LEU A 89 6.232 22.070 -2.541 1.00 0.00 O ATOM 1450 CB LEU A 89 6.072 20.770 0.757 1.00 0.00 C ATOM 1451 CG LEU A 89 5.472 19.420 1.163 1.00 0.00 C ATOM 1452 CD1 LEU A 89 6.567 18.464 1.610 1.00 0.00 C ATOM 1453 CD2 LEU A 89 4.441 19.606 2.265 1.00 0.00 C ATOM 0 H LEU A 89 3.767 20.130 -0.600 1.00 0.00 H new ATOM 0 HA LEU A 89 5.405 22.569 -0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.111 20.614 0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.081 21.422 1.630 1.00 0.00 H new ATOM 0 HG LEU A 89 4.973 18.988 0.295 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.123 17.510 1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.270 18.307 0.792 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.094 18.888 2.464 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.025 18.637 2.541 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.916 20.058 3.135 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.642 20.256 1.909 1.00 0.00 H new ATOM 1465 N LYS A 90 6.371 19.914 -1.919 1.00 0.00 N ATOM 1466 CA LYS A 90 7.027 19.487 -3.150 1.00 0.00 C ATOM 1467 C LYS A 90 7.200 17.973 -3.179 1.00 0.00 C ATOM 1468 O LYS A 90 7.858 17.471 -4.114 1.00 0.00 O ATOM 1469 CB LYS A 90 8.388 20.171 -3.291 1.00 0.00 C ATOM 1470 CG LYS A 90 8.755 20.505 -4.727 1.00 0.00 C ATOM 1471 CD LYS A 90 9.707 21.689 -4.797 1.00 0.00 C ATOM 1472 CE LYS A 90 10.709 21.532 -5.931 1.00 0.00 C ATOM 1473 NZ LYS A 90 12.062 22.016 -5.545 1.00 0.00 N ATOM 1474 OXT LYS A 90 6.678 17.300 -2.265 1.00 1.00 O ATOM 0 H LYS A 90 6.207 19.164 -1.247 1.00 0.00 H new ATOM 0 HA LYS A 90 6.394 19.777 -3.988 1.00 0.00 H new ATOM 0 HB2 LYS A 90 8.387 21.088 -2.702 1.00 0.00 H new ATOM 0 HB3 LYS A 90 9.156 19.523 -2.870 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.217 19.637 -5.197 1.00 0.00 H new ATOM 0 HG3 LYS A 90 7.850 20.730 -5.292 1.00 0.00 H new ATOM 0 HD2 LYS A 90 9.137 22.608 -4.938 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.239 21.786 -3.851 1.00 0.00 H new ATOM 0 HE2 LYS A 90 10.768 20.483 -6.221 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.360 22.085 -6.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 12.716 21.892 -6.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 12.011 23.024 -5.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 12.406 21.471 -4.729 1.00 0.00 H new