USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 828 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: B 21 ASN :FLIP amide:sc= -0.596 F(o=-7,f=-4.6) USER MOD Set 1.2: B 52 ASN : amide:sc= -3.99! C(o=-4.6!,f=-13!) USER MOD Set 2.1: B 39 SER OG : rot -87:sc= 1.03 USER MOD Set 2.2: B 40 GLN : amide:sc= 0.956 X(o=2,f=2) USER MOD Set 3.1: B 26 GLN :FLIP amide:sc= -0.496 F(o=-15!,f=-1.8) USER MOD Set 3.2: B 55 GLN :FLIP amide:sc= -1.28 F(o=-2.5!,f=-1.8) USER MOD Set 4.1: A 26 GLN :FLIP amide:sc= -1.02 F(o=-9!,f=-2.7) USER MOD Set 4.2: A 55 GLN :FLIP amide:sc= -1.63 F(o=-6.3!,f=-2.7) USER MOD Set 5.1: A 21 ASN :FLIP amide:sc= -1.63 F(o=-10,f=-8.5) USER MOD Set 5.2: A 52 ASN : amide:sc= -6.82! C(o=-8.5!,f=-10!) USER MOD Set 6.1: A 13 THR OG1 : rot 117:sc= -2.81 USER MOD Set 6.2: B 17 MET CE :methyl -122:sc= -12.3! (180deg=-13.1!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -3.77! C(o=-3.8!,f=-12!) USER MOD Single : A 7 LYS NZ :NH3+ 176:sc= -0.625 (180deg=-0.684) USER MOD Single : A 18 ASN :FLIP amide:sc= -2.71 F(o=-5.6!,f=-2.7) USER MOD Single : A 23 ASN : amide:sc= -0.944 K(o=-0.94,f=-11!) USER MOD Single : A 28 LYS NZ :NH3+ 177:sc= -0.855 (180deg=-0.936) USER MOD Single : A 33 SER OG : rot 75:sc= 0.669 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.366 K(o=-0.37,f=-2) USER MOD Single : A 41 SER OG : rot -92:sc= 0.429 USER MOD Single : A 43 ASN : amide:sc= -0.234 X(o=-0.23,f=-8.6e-05) USER MOD Single : A 49 LYS NZ :NH3+ 179:sc= -1.37 (180deg=-1.44) USER MOD Single : A 50 LYS NZ :NH3+ -128:sc= 0.873 (180deg=0.0962) USER MOD Single : B 6 ASN :FLIP amide:sc= -1.01 F(o=-2.3!,f=-1) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 ASN : amide:sc= -8.99! C(o=-9!,f=-18!) USER MOD Single : B 24 SER OG : rot 170:sc= 0.592 USER MOD Single : B 32 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : B 33 SER OG : rot 91:sc= 0.0555 USER MOD Single : B 41 SER OG : rot 160:sc= -1.28 USER MOD Single : B 43 ASN :FLIP amide:sc= -0.0928 F(o=-0.95,f=-0.093) USER MOD Single : B 49 LYS NZ :NH3+ 156:sc= -2.32 (180deg=-3.12!) USER MOD Single : B 50 LYS NZ :NH3+ -175:sc= 1.04 (180deg=1.02) USER MOD ----------------------------------------------------------------- ATOM 45 N LYS A 4 6.102 -10.818 6.980 1.00 0.00 N ATOM 46 CA LYS A 4 5.478 -9.892 7.927 1.00 0.00 C ATOM 47 C LYS A 4 5.736 -8.434 7.542 1.00 0.00 C ATOM 48 O LYS A 4 4.833 -7.602 7.624 1.00 0.00 O ATOM 49 CB LYS A 4 5.987 -10.157 9.352 1.00 0.00 C ATOM 50 CG LYS A 4 7.519 -10.029 9.425 1.00 0.00 C ATOM 51 CD LYS A 4 7.886 -8.696 10.091 1.00 0.00 C ATOM 52 CE LYS A 4 7.764 -8.823 11.613 1.00 0.00 C ATOM 53 NZ LYS A 4 7.839 -7.469 12.230 1.00 0.00 N ATOM 0 HA LYS A 4 4.402 -10.064 7.893 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.527 -9.451 10.043 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.687 -11.156 9.669 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.938 -10.860 9.993 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.948 -10.079 8.424 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.903 -8.413 9.821 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.228 -7.905 9.729 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.821 -9.302 11.875 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.562 -9.456 12.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.756 -7.553 13.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.750 -7.028 11.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.063 -6.879 11.868 1.00 0.00 H new ATOM 67 N PHE A 5 6.969 -8.132 7.126 1.00 0.00 N ATOM 68 CA PHE A 5 7.325 -6.777 6.736 1.00 0.00 C ATOM 69 C PHE A 5 6.540 -6.369 5.490 1.00 0.00 C ATOM 70 O PHE A 5 6.054 -5.250 5.410 1.00 0.00 O ATOM 71 CB PHE A 5 8.842 -6.658 6.503 1.00 0.00 C ATOM 72 CG PHE A 5 9.211 -7.070 5.090 1.00 0.00 C ATOM 73 CD1 PHE A 5 9.327 -8.427 4.760 1.00 0.00 C ATOM 74 CD2 PHE A 5 9.430 -6.089 4.111 1.00 0.00 C ATOM 75 CE1 PHE A 5 9.662 -8.803 3.453 1.00 0.00 C ATOM 76 CE2 PHE A 5 9.765 -6.466 2.807 1.00 0.00 C ATOM 77 CZ PHE A 5 9.881 -7.822 2.478 1.00 0.00 C ATOM 0 H PHE A 5 7.730 -8.808 7.053 1.00 0.00 H new ATOM 0 HA PHE A 5 7.062 -6.096 7.546 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.161 -5.631 6.681 1.00 0.00 H new ATOM 0 HB3 PHE A 5 9.373 -7.285 7.219 1.00 0.00 H new ATOM 0 HD1 PHE A 5 9.158 -9.183 5.513 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.340 -5.043 4.365 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.751 -9.849 3.197 1.00 0.00 H new ATOM 0 HE2 PHE A 5 9.934 -5.711 2.053 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.140 -8.112 1.470 1.00 0.00 H new ATOM 87 N ASN A 6 6.407 -7.298 4.534 1.00 0.00 N ATOM 88 CA ASN A 6 5.653 -7.034 3.317 1.00 0.00 C ATOM 89 C ASN A 6 4.192 -6.841 3.667 1.00 0.00 C ATOM 90 O ASN A 6 3.531 -5.929 3.180 1.00 0.00 O ATOM 91 CB ASN A 6 5.773 -8.224 2.370 1.00 0.00 C ATOM 92 CG ASN A 6 5.087 -7.933 1.042 1.00 0.00 C ATOM 93 OD1 ASN A 6 5.033 -6.790 0.619 1.00 0.00 O ATOM 94 ND2 ASN A 6 4.535 -8.910 0.374 1.00 0.00 N ATOM 0 H ASN A 6 6.812 -8.233 4.586 1.00 0.00 H new ATOM 0 HA ASN A 6 6.048 -6.138 2.838 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.825 -8.452 2.198 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.326 -9.106 2.829 1.00 0.00 H new ATOM 0 HD21 ASN A 6 4.056 -8.719 -0.506 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.583 -9.864 0.732 1.00 0.00 H new ATOM 101 N LYS A 7 3.714 -7.718 4.541 1.00 0.00 N ATOM 102 CA LYS A 7 2.345 -7.678 4.997 1.00 0.00 C ATOM 103 C LYS A 7 2.104 -6.334 5.660 1.00 0.00 C ATOM 104 O LYS A 7 1.092 -5.680 5.432 1.00 0.00 O ATOM 105 CB LYS A 7 2.128 -8.836 5.989 1.00 0.00 C ATOM 106 CG LYS A 7 0.633 -9.095 6.192 1.00 0.00 C ATOM 107 CD LYS A 7 0.426 -10.439 6.902 1.00 0.00 C ATOM 108 CE LYS A 7 0.188 -11.536 5.862 1.00 0.00 C ATOM 109 NZ LYS A 7 0.190 -12.864 6.536 1.00 0.00 N ATOM 0 H LYS A 7 4.268 -8.471 4.948 1.00 0.00 H new ATOM 0 HA LYS A 7 1.644 -7.792 4.170 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.612 -9.738 5.615 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.595 -8.596 6.944 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.193 -8.291 6.782 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.122 -9.100 5.229 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.300 -10.681 7.507 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.425 -10.376 7.581 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.764 -11.373 5.357 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.964 -11.502 5.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.039 -13.605 5.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.131 -13.047 6.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.520 -12.869 7.295 1.00 0.00 H new ATOM 123 N GLU A 8 3.074 -5.922 6.463 1.00 0.00 N ATOM 124 CA GLU A 8 2.996 -4.647 7.150 1.00 0.00 C ATOM 125 C GLU A 8 3.213 -3.480 6.185 1.00 0.00 C ATOM 126 O GLU A 8 2.544 -2.460 6.277 1.00 0.00 O ATOM 127 CB GLU A 8 4.010 -4.622 8.295 1.00 0.00 C ATOM 128 CG GLU A 8 3.968 -3.275 9.033 1.00 0.00 C ATOM 129 CD GLU A 8 5.085 -3.216 10.077 1.00 0.00 C ATOM 130 OE1 GLU A 8 4.923 -3.821 11.124 1.00 0.00 O ATOM 131 OE2 GLU A 8 6.086 -2.569 9.812 1.00 0.00 O ATOM 0 H GLU A 8 3.923 -6.454 6.653 1.00 0.00 H new ATOM 0 HA GLU A 8 1.995 -4.531 7.565 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.796 -5.431 8.993 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.012 -4.796 7.903 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.081 -2.457 8.321 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.000 -3.146 9.517 1.00 0.00 H new ATOM 138 N LEU A 9 4.123 -3.669 5.242 1.00 0.00 N ATOM 139 CA LEU A 9 4.410 -2.659 4.215 1.00 0.00 C ATOM 140 C LEU A 9 3.131 -2.398 3.454 1.00 0.00 C ATOM 141 O LEU A 9 2.806 -1.258 3.135 1.00 0.00 O ATOM 142 CB LEU A 9 5.512 -3.190 3.284 1.00 0.00 C ATOM 143 CG LEU A 9 5.683 -2.284 2.053 1.00 0.00 C ATOM 144 CD1 LEU A 9 6.496 -1.032 2.374 1.00 0.00 C ATOM 145 CD2 LEU A 9 6.404 -3.053 0.967 1.00 0.00 C ATOM 0 H LEU A 9 4.684 -4.517 5.160 1.00 0.00 H new ATOM 0 HA LEU A 9 4.762 -1.728 4.659 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.454 -3.250 3.829 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.264 -4.202 2.963 1.00 0.00 H new ATOM 0 HG LEU A 9 4.689 -1.977 1.728 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.592 -0.421 1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.990 -0.459 3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.487 -1.321 2.724 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.528 -2.416 0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.383 -3.365 1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.821 -3.933 0.696 1.00 0.00 H new ATOM 157 N GLY A 10 2.386 -3.462 3.211 1.00 0.00 N ATOM 158 CA GLY A 10 1.134 -3.341 2.539 1.00 0.00 C ATOM 159 C GLY A 10 0.096 -2.759 3.471 1.00 0.00 C ATOM 160 O GLY A 10 -0.716 -1.925 3.085 1.00 0.00 O ATOM 0 H GLY A 10 2.639 -4.414 3.475 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.244 -2.704 1.662 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.807 -4.318 2.184 1.00 0.00 H new ATOM 164 N TRP A 11 0.098 -3.232 4.704 1.00 0.00 N ATOM 165 CA TRP A 11 -0.885 -2.762 5.646 1.00 0.00 C ATOM 166 C TRP A 11 -0.698 -1.341 6.058 1.00 0.00 C ATOM 167 O TRP A 11 -1.654 -0.567 6.028 1.00 0.00 O ATOM 168 CB TRP A 11 -0.998 -3.666 6.851 1.00 0.00 C ATOM 169 CG TRP A 11 -2.452 -3.752 7.225 1.00 0.00 C ATOM 170 CD1 TRP A 11 -2.894 -3.850 8.481 1.00 0.00 C ATOM 171 CD2 TRP A 11 -3.659 -3.718 6.367 1.00 0.00 C ATOM 172 NE1 TRP A 11 -4.278 -3.914 8.470 1.00 0.00 N ATOM 173 CE2 TRP A 11 -4.791 -3.825 7.194 1.00 0.00 C ATOM 174 CE3 TRP A 11 -3.881 -3.615 4.968 1.00 0.00 C ATOM 175 CZ2 TRP A 11 -6.083 -3.828 6.670 1.00 0.00 C ATOM 176 CZ3 TRP A 11 -5.164 -3.615 4.439 1.00 0.00 C ATOM 177 CH2 TRP A 11 -6.274 -3.719 5.286 1.00 0.00 C ATOM 0 H TRP A 11 0.754 -3.924 5.065 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.830 -2.798 5.105 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.602 -4.656 6.624 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.412 -3.271 7.681 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -2.272 -3.875 9.364 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.850 -4.015 9.308 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -3.034 -3.535 4.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.934 -3.914 7.329 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.307 -3.535 3.371 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.273 -3.715 4.875 1.00 0.00 H new ATOM 188 N ALA A 12 0.502 -0.981 6.434 1.00 0.00 N ATOM 189 CA ALA A 12 0.734 0.374 6.831 1.00 0.00 C ATOM 190 C ALA A 12 0.330 1.283 5.667 1.00 0.00 C ATOM 191 O ALA A 12 -0.315 2.303 5.866 1.00 0.00 O ATOM 192 CB ALA A 12 2.195 0.562 7.212 1.00 0.00 C ATOM 0 H ALA A 12 1.315 -1.596 6.472 1.00 0.00 H new ATOM 0 HA ALA A 12 0.139 0.630 7.708 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.362 1.596 7.513 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.443 -0.102 8.040 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.827 0.326 6.356 1.00 0.00 H new ATOM 198 N THR A 13 0.648 0.844 4.440 1.00 0.00 N ATOM 199 CA THR A 13 0.258 1.568 3.235 1.00 0.00 C ATOM 200 C THR A 13 -1.253 1.767 3.221 1.00 0.00 C ATOM 201 O THR A 13 -1.723 2.873 2.984 1.00 0.00 O ATOM 202 CB THR A 13 0.710 0.748 2.026 1.00 0.00 C ATOM 203 OG1 THR A 13 2.094 0.948 1.842 1.00 0.00 O ATOM 204 CG2 THR A 13 -0.039 1.161 0.763 1.00 0.00 C ATOM 0 H THR A 13 1.175 -0.011 4.263 1.00 0.00 H new ATOM 0 HA THR A 13 0.726 2.552 3.206 1.00 0.00 H new ATOM 0 HB THR A 13 0.494 -0.304 2.212 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.566 0.098 1.964 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.306 0.559 -0.078 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.108 1.005 0.907 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.149 2.215 0.556 1.00 0.00 H new ATOM 212 N TRP A 14 -1.989 0.692 3.503 1.00 0.00 N ATOM 213 CA TRP A 14 -3.454 0.733 3.540 1.00 0.00 C ATOM 214 C TRP A 14 -3.970 1.622 4.660 1.00 0.00 C ATOM 215 O TRP A 14 -4.886 2.408 4.464 1.00 0.00 O ATOM 216 CB TRP A 14 -3.979 -0.666 3.798 1.00 0.00 C ATOM 217 CG TRP A 14 -5.449 -0.747 3.518 1.00 0.00 C ATOM 218 CD1 TRP A 14 -6.411 -0.768 4.470 1.00 0.00 C ATOM 219 CD2 TRP A 14 -6.143 -0.842 2.238 1.00 0.00 C ATOM 220 NE1 TRP A 14 -7.640 -0.914 3.863 1.00 0.00 N ATOM 221 CE2 TRP A 14 -7.529 -0.962 2.493 1.00 0.00 C ATOM 222 CE3 TRP A 14 -5.721 -0.854 0.892 1.00 0.00 C ATOM 223 CZ2 TRP A 14 -8.445 -1.095 1.461 1.00 0.00 C ATOM 224 CZ3 TRP A 14 -6.641 -0.986 -0.132 1.00 0.00 C ATOM 225 CH2 TRP A 14 -7.992 -1.111 0.146 1.00 0.00 C ATOM 0 H TRP A 14 -1.593 -0.225 3.711 1.00 0.00 H new ATOM 0 HA TRP A 14 -3.794 1.130 2.584 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.446 -1.380 3.171 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -3.786 -0.946 4.834 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.243 -0.684 5.534 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.524 -0.979 4.368 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -4.671 -0.759 0.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -9.500 -1.185 1.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -6.303 -0.992 -1.158 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -8.698 -1.222 -0.663 1.00 0.00 H new ATOM 236 N GLU A 15 -3.391 1.462 5.841 1.00 0.00 N ATOM 237 CA GLU A 15 -3.816 2.230 7.002 1.00 0.00 C ATOM 238 C GLU A 15 -3.627 3.721 6.731 1.00 0.00 C ATOM 239 O GLU A 15 -4.489 4.535 7.069 1.00 0.00 O ATOM 240 CB GLU A 15 -3.020 1.758 8.220 1.00 0.00 C ATOM 241 CG GLU A 15 -3.399 0.294 8.531 1.00 0.00 C ATOM 242 CD GLU A 15 -2.419 -0.302 9.539 1.00 0.00 C ATOM 243 OE1 GLU A 15 -2.621 -0.098 10.725 1.00 0.00 O ATOM 244 OE2 GLU A 15 -1.479 -0.953 9.108 1.00 0.00 O ATOM 0 H GLU A 15 -2.628 0.809 6.020 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.875 2.071 7.204 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.951 1.837 8.025 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.235 2.393 9.079 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.413 0.250 8.929 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.391 -0.294 7.613 1.00 0.00 H new ATOM 251 N ILE A 16 -2.530 4.055 6.051 1.00 0.00 N ATOM 252 CA ILE A 16 -2.262 5.436 5.653 1.00 0.00 C ATOM 253 C ILE A 16 -3.255 5.812 4.541 1.00 0.00 C ATOM 254 O ILE A 16 -3.752 6.936 4.474 1.00 0.00 O ATOM 255 CB ILE A 16 -0.813 5.553 5.122 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.198 5.171 6.218 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.530 6.985 4.671 1.00 0.00 C ATOM 258 CD1 ILE A 16 1.604 4.995 5.615 1.00 0.00 C ATOM 0 H ILE A 16 -1.813 3.388 5.765 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.377 6.106 6.505 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.708 4.871 4.278 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.219 5.943 6.987 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.115 4.247 6.704 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.492 7.054 4.300 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.224 7.260 3.877 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.656 7.664 5.514 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.307 4.725 6.403 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.581 4.206 4.863 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.920 5.929 5.151 1.00 0.00 H new ATOM 270 N PHE A 17 -3.533 4.821 3.685 1.00 0.00 N ATOM 271 CA PHE A 17 -4.467 4.957 2.560 1.00 0.00 C ATOM 272 C PHE A 17 -5.881 5.230 3.080 1.00 0.00 C ATOM 273 O PHE A 17 -6.647 5.982 2.476 1.00 0.00 O ATOM 274 CB PHE A 17 -4.470 3.629 1.782 1.00 0.00 C ATOM 275 CG PHE A 17 -4.739 3.819 0.310 1.00 0.00 C ATOM 276 CD1 PHE A 17 -3.676 4.086 -0.565 1.00 0.00 C ATOM 277 CD2 PHE A 17 -6.034 3.666 -0.190 1.00 0.00 C ATOM 278 CE1 PHE A 17 -3.912 4.208 -1.933 1.00 0.00 C ATOM 279 CE2 PHE A 17 -6.272 3.777 -1.560 1.00 0.00 C ATOM 280 CZ PHE A 17 -5.210 4.049 -2.433 1.00 0.00 C ATOM 0 H PHE A 17 -3.113 3.894 3.754 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.159 5.784 1.921 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.507 3.135 1.911 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.227 2.967 2.203 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.674 4.197 -0.178 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.852 3.462 0.485 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.096 4.425 -2.606 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.273 3.654 -1.947 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.393 4.136 -3.494 1.00 0.00 H new ATOM 290 N ASN A 18 -6.210 4.570 4.193 1.00 0.00 N ATOM 291 CA ASN A 18 -7.528 4.678 4.814 1.00 0.00 C ATOM 292 C ASN A 18 -7.587 5.772 5.883 1.00 0.00 C ATOM 293 O ASN A 18 -8.612 5.907 6.558 1.00 0.00 O ATOM 294 CB ASN A 18 -7.902 3.330 5.456 1.00 0.00 C ATOM 295 CG ASN A 18 -8.160 2.269 4.387 1.00 0.00 C ATOM 296 OD1 ASN A 18 -7.274 2.053 3.458 1.00 0.00 O flip ATOM 297 ND2 ASN A 18 -9.200 1.612 4.404 1.00 0.00 N flip ATOM 0 H ASN A 18 -5.570 3.947 4.687 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.234 4.945 4.028 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.098 3.001 6.114 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.791 3.452 6.075 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.897 1.778 5.130 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -9.366 0.901 3.692 1.00 0.00 H new ATOM 304 N LEU A 19 -6.514 6.560 6.049 1.00 0.00 N ATOM 305 CA LEU A 19 -6.545 7.613 7.060 1.00 0.00 C ATOM 306 C LEU A 19 -7.539 8.693 6.627 1.00 0.00 C ATOM 307 O LEU A 19 -7.589 9.045 5.446 1.00 0.00 O ATOM 308 CB LEU A 19 -5.154 8.214 7.298 1.00 0.00 C ATOM 309 CG LEU A 19 -4.543 7.618 8.581 1.00 0.00 C ATOM 310 CD1 LEU A 19 -3.161 8.193 8.792 1.00 0.00 C ATOM 311 CD2 LEU A 19 -5.382 7.984 9.800 1.00 0.00 C ATOM 0 H LEU A 19 -5.647 6.490 5.516 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.866 7.179 8.007 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.507 8.007 6.445 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.226 9.298 7.388 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.508 6.535 8.466 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.727 7.773 9.699 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.530 7.945 7.939 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.229 9.276 8.890 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.932 7.553 10.694 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.423 9.069 9.901 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.392 7.593 9.677 1.00 0.00 H new ATOM 323 N PRO A 20 -8.364 9.185 7.528 1.00 0.00 N ATOM 324 CA PRO A 20 -9.416 10.190 7.206 1.00 0.00 C ATOM 325 C PRO A 20 -8.933 11.640 7.198 1.00 0.00 C ATOM 326 O PRO A 20 -9.771 12.545 7.251 1.00 0.00 O ATOM 327 CB PRO A 20 -10.451 9.989 8.340 1.00 0.00 C ATOM 328 CG PRO A 20 -9.916 8.901 9.216 1.00 0.00 C ATOM 329 CD PRO A 20 -8.423 8.870 8.959 1.00 0.00 C ATOM 0 HA PRO A 20 -9.795 10.035 6.196 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.590 10.910 8.906 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.424 9.716 7.933 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.129 9.102 10.266 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.375 7.942 8.976 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.888 9.603 9.562 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.989 7.895 9.182 1.00 0.00 H new ATOM 337 N ASN A 21 -7.614 11.895 7.157 1.00 0.00 N ATOM 338 CA ASN A 21 -7.170 13.301 7.183 1.00 0.00 C ATOM 339 C ASN A 21 -5.936 13.581 6.325 1.00 0.00 C ATOM 340 O ASN A 21 -5.505 14.731 6.229 1.00 0.00 O ATOM 341 CB ASN A 21 -6.909 13.716 8.633 1.00 0.00 C ATOM 342 CG ASN A 21 -8.225 13.850 9.393 1.00 0.00 C ATOM 343 OD1 ASN A 21 -8.499 13.016 10.357 1.00 0.00 O flip ATOM 344 ND2 ASN A 21 -9.027 14.738 9.101 1.00 0.00 N flip ATOM 0 H ASN A 21 -6.875 11.194 7.109 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.973 13.894 6.745 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.274 12.977 9.121 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.371 14.663 8.655 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.813 15.391 8.347 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.905 14.821 9.613 1.00 0.00 H new ATOM 351 N LEU A 22 -5.380 12.555 5.695 1.00 0.00 N ATOM 352 CA LEU A 22 -4.204 12.746 4.844 1.00 0.00 C ATOM 353 C LEU A 22 -4.608 13.129 3.432 1.00 0.00 C ATOM 354 O LEU A 22 -5.682 12.743 2.961 1.00 0.00 O ATOM 355 CB LEU A 22 -3.375 11.469 4.801 1.00 0.00 C ATOM 356 CG LEU A 22 -2.935 11.098 6.215 1.00 0.00 C ATOM 357 CD1 LEU A 22 -2.147 9.804 6.171 1.00 0.00 C ATOM 358 CD2 LEU A 22 -2.036 12.186 6.790 1.00 0.00 C ATOM 0 H LEU A 22 -5.715 11.593 5.753 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.611 13.555 5.270 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.960 10.658 4.366 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.503 11.611 4.163 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.822 10.987 6.839 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.831 9.536 7.179 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.773 9.010 5.764 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.269 9.934 5.538 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.729 11.909 7.799 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.153 12.299 6.160 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.582 13.129 6.823 1.00 0.00 H new ATOM 370 N ASN A 23 -3.730 13.869 2.747 1.00 0.00 N ATOM 371 CA ASN A 23 -4.004 14.270 1.373 1.00 0.00 C ATOM 372 C ASN A 23 -3.280 13.325 0.423 1.00 0.00 C ATOM 373 O ASN A 23 -2.403 12.565 0.843 1.00 0.00 O ATOM 374 CB ASN A 23 -3.593 15.737 1.130 1.00 0.00 C ATOM 375 CG ASN A 23 -2.075 15.909 1.105 1.00 0.00 C ATOM 376 OD1 ASN A 23 -1.350 15.171 1.760 1.00 0.00 O ATOM 377 ND2 ASN A 23 -1.552 16.857 0.380 1.00 0.00 N ATOM 0 H ASN A 23 -2.838 14.196 3.119 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.076 14.206 1.187 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.012 16.079 0.184 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.016 16.367 1.913 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.540 16.983 0.359 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.155 17.473 -0.166 1.00 0.00 H new ATOM 384 N GLY A 24 -3.671 13.359 -0.846 1.00 0.00 N ATOM 385 CA GLY A 24 -3.081 12.481 -1.852 1.00 0.00 C ATOM 386 C GLY A 24 -1.554 12.491 -1.806 1.00 0.00 C ATOM 387 O GLY A 24 -0.925 11.471 -2.068 1.00 0.00 O ATOM 0 H GLY A 24 -4.393 13.984 -1.203 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.440 11.463 -1.699 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.415 12.791 -2.842 1.00 0.00 H new ATOM 391 N VAL A 25 -0.966 13.643 -1.483 1.00 0.00 N ATOM 392 CA VAL A 25 0.492 13.762 -1.428 1.00 0.00 C ATOM 393 C VAL A 25 1.088 13.092 -0.194 1.00 0.00 C ATOM 394 O VAL A 25 2.042 12.327 -0.322 1.00 0.00 O ATOM 395 CB VAL A 25 0.897 15.235 -1.483 1.00 0.00 C ATOM 396 CG1 VAL A 25 2.420 15.359 -1.339 1.00 0.00 C ATOM 397 CG2 VAL A 25 0.466 15.807 -2.837 1.00 0.00 C ATOM 0 H VAL A 25 -1.471 14.500 -1.257 1.00 0.00 H new ATOM 0 HA VAL A 25 0.894 13.239 -2.296 1.00 0.00 H new ATOM 0 HB VAL A 25 0.417 15.783 -0.672 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.705 16.410 -1.379 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.731 14.935 -0.384 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.907 14.820 -2.152 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.747 16.859 -2.894 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.958 15.256 -3.638 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.615 15.714 -2.944 1.00 0.00 H new ATOM 407 N GLN A 26 0.547 13.374 0.997 1.00 0.00 N ATOM 408 CA GLN A 26 1.089 12.767 2.207 1.00 0.00 C ATOM 409 C GLN A 26 0.970 11.256 2.144 1.00 0.00 C ATOM 410 O GLN A 26 1.925 10.548 2.454 1.00 0.00 O ATOM 411 CB GLN A 26 0.395 13.320 3.449 1.00 0.00 C ATOM 412 CG GLN A 26 1.191 14.532 3.960 1.00 0.00 C ATOM 413 CD GLN A 26 0.245 15.592 4.484 1.00 0.00 C ATOM 414 OE1 GLN A 26 -0.360 15.379 5.601 1.00 0.00 O flip ATOM 415 NE2 GLN A 26 0.053 16.633 3.858 1.00 0.00 N flip ATOM 0 H GLN A 26 -0.244 14.002 1.143 1.00 0.00 H new ATOM 0 HA GLN A 26 2.147 13.021 2.274 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.628 13.613 3.212 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.336 12.554 4.222 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.875 14.221 4.750 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.800 14.943 3.155 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.536 16.793 2.974 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.590 17.336 4.223 1.00 0.00 H new ATOM 424 N VAL A 27 -0.184 10.768 1.697 1.00 0.00 N ATOM 425 CA VAL A 27 -0.379 9.327 1.567 1.00 0.00 C ATOM 426 C VAL A 27 0.625 8.779 0.558 1.00 0.00 C ATOM 427 O VAL A 27 1.293 7.778 0.810 1.00 0.00 O ATOM 428 CB VAL A 27 -1.809 9.013 1.107 1.00 0.00 C ATOM 429 CG1 VAL A 27 -1.974 7.497 0.957 1.00 0.00 C ATOM 430 CG2 VAL A 27 -2.812 9.532 2.146 1.00 0.00 C ATOM 0 H VAL A 27 -0.985 11.337 1.423 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.223 8.856 2.538 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.995 9.499 0.149 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.989 7.272 0.630 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.264 7.125 0.218 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.786 7.014 1.916 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.826 9.307 1.816 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.626 9.047 3.105 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.697 10.610 2.256 1.00 0.00 H new ATOM 440 N LYS A 28 0.736 9.476 -0.571 1.00 0.00 N ATOM 441 CA LYS A 28 1.672 9.102 -1.628 1.00 0.00 C ATOM 442 C LYS A 28 3.104 9.123 -1.094 1.00 0.00 C ATOM 443 O LYS A 28 3.930 8.297 -1.477 1.00 0.00 O ATOM 444 CB LYS A 28 1.521 10.085 -2.810 1.00 0.00 C ATOM 445 CG LYS A 28 2.399 9.665 -3.996 1.00 0.00 C ATOM 446 CD LYS A 28 2.366 10.769 -5.064 1.00 0.00 C ATOM 447 CE LYS A 28 3.219 10.365 -6.273 1.00 0.00 C ATOM 448 NZ LYS A 28 4.648 10.241 -5.860 1.00 0.00 N ATOM 0 H LYS A 28 0.185 10.309 -0.778 1.00 0.00 H new ATOM 0 HA LYS A 28 1.451 8.091 -1.971 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.478 10.125 -3.123 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.796 11.090 -2.488 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.423 9.494 -3.664 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.039 8.725 -4.416 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.338 10.949 -5.379 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.739 11.703 -4.643 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.865 9.418 -6.681 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.122 11.109 -7.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.216 9.918 -6.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.998 11.166 -5.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.727 9.552 -5.085 1.00 0.00 H new ATOM 462 N ALA A 29 3.376 10.075 -0.201 1.00 0.00 N ATOM 463 CA ALA A 29 4.694 10.220 0.393 1.00 0.00 C ATOM 464 C ALA A 29 4.983 9.089 1.342 1.00 0.00 C ATOM 465 O ALA A 29 6.076 8.528 1.337 1.00 0.00 O ATOM 466 CB ALA A 29 4.770 11.519 1.169 1.00 0.00 C ATOM 0 H ALA A 29 2.692 10.758 0.125 1.00 0.00 H new ATOM 0 HA ALA A 29 5.426 10.214 -0.415 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.761 11.621 1.612 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.585 12.356 0.496 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.019 11.516 1.959 1.00 0.00 H new ATOM 472 N PHE A 30 3.988 8.755 2.152 1.00 0.00 N ATOM 473 CA PHE A 30 4.134 7.689 3.089 1.00 0.00 C ATOM 474 C PHE A 30 4.339 6.410 2.311 1.00 0.00 C ATOM 475 O PHE A 30 5.188 5.594 2.667 1.00 0.00 O ATOM 476 CB PHE A 30 2.908 7.604 3.988 1.00 0.00 C ATOM 477 CG PHE A 30 2.781 8.862 4.840 1.00 0.00 C ATOM 478 CD1 PHE A 30 3.896 9.362 5.542 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.545 9.534 4.936 1.00 0.00 C ATOM 480 CE1 PHE A 30 3.772 10.513 6.316 1.00 0.00 C ATOM 481 CE2 PHE A 30 1.436 10.682 5.716 1.00 0.00 C ATOM 482 CZ PHE A 30 2.545 11.171 6.400 1.00 0.00 C ATOM 0 H PHE A 30 3.078 9.216 2.167 1.00 0.00 H new ATOM 0 HA PHE A 30 4.994 7.862 3.736 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.012 7.478 3.380 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.982 6.728 4.632 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.846 8.853 5.480 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.683 9.158 4.405 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.627 10.897 6.852 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.488 11.194 5.790 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.455 12.065 6.999 1.00 0.00 H new ATOM 492 N ILE A 31 3.603 6.277 1.196 1.00 0.00 N ATOM 493 CA ILE A 31 3.772 5.120 0.344 1.00 0.00 C ATOM 494 C ILE A 31 5.172 5.143 -0.233 1.00 0.00 C ATOM 495 O ILE A 31 5.859 4.138 -0.219 1.00 0.00 O ATOM 496 CB ILE A 31 2.718 5.072 -0.784 1.00 0.00 C ATOM 497 CG1 ILE A 31 1.343 4.746 -0.169 1.00 0.00 C ATOM 498 CG2 ILE A 31 3.090 3.994 -1.837 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.264 4.724 -1.253 1.00 0.00 C ATOM 0 H ILE A 31 2.903 6.948 0.880 1.00 0.00 H new ATOM 0 HA ILE A 31 3.628 4.221 0.943 1.00 0.00 H new ATOM 0 HB ILE A 31 2.685 6.040 -1.283 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.382 3.779 0.333 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.091 5.488 0.588 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.335 3.977 -2.623 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.061 4.230 -2.272 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.136 3.017 -1.357 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.701 4.492 -0.802 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.214 5.700 -1.736 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.509 3.964 -1.995 1.00 0.00 H new ATOM 511 N ASP A 32 5.589 6.308 -0.714 1.00 0.00 N ATOM 512 CA ASP A 32 6.924 6.456 -1.291 1.00 0.00 C ATOM 513 C ASP A 32 7.996 6.053 -0.287 1.00 0.00 C ATOM 514 O ASP A 32 8.936 5.325 -0.614 1.00 0.00 O ATOM 515 CB ASP A 32 7.159 7.910 -1.737 1.00 0.00 C ATOM 516 CG ASP A 32 6.743 8.105 -3.194 1.00 0.00 C ATOM 517 OD1 ASP A 32 7.352 7.486 -4.051 1.00 0.00 O ATOM 518 OD2 ASP A 32 5.834 8.883 -3.434 1.00 0.00 O ATOM 0 H ASP A 32 5.028 7.160 -0.717 1.00 0.00 H new ATOM 0 HA ASP A 32 6.988 5.799 -2.158 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.592 8.587 -1.098 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.212 8.166 -1.617 1.00 0.00 H new ATOM 523 N SER A 33 7.818 6.521 0.934 1.00 0.00 N ATOM 524 CA SER A 33 8.735 6.215 2.025 1.00 0.00 C ATOM 525 C SER A 33 8.694 4.719 2.329 1.00 0.00 C ATOM 526 O SER A 33 9.716 4.096 2.607 1.00 0.00 O ATOM 527 CB SER A 33 8.333 7.021 3.256 1.00 0.00 C ATOM 528 OG SER A 33 8.451 8.409 2.966 1.00 0.00 O ATOM 0 H SER A 33 7.038 7.122 1.201 1.00 0.00 H new ATOM 0 HA SER A 33 9.753 6.482 1.740 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.309 6.783 3.543 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.970 6.759 4.101 1.00 0.00 H new ATOM 0 HG SER A 33 7.708 8.687 2.390 1.00 0.00 H new ATOM 534 N LEU A 34 7.491 4.164 2.231 1.00 0.00 N ATOM 535 CA LEU A 34 7.248 2.738 2.441 1.00 0.00 C ATOM 536 C LEU A 34 8.045 1.924 1.422 1.00 0.00 C ATOM 537 O LEU A 34 8.797 1.022 1.787 1.00 0.00 O ATOM 538 CB LEU A 34 5.751 2.501 2.244 1.00 0.00 C ATOM 539 CG LEU A 34 5.022 2.368 3.578 1.00 0.00 C ATOM 540 CD1 LEU A 34 3.758 3.228 3.589 1.00 0.00 C ATOM 541 CD2 LEU A 34 4.626 0.919 3.758 1.00 0.00 C ATOM 0 H LEU A 34 6.650 4.693 2.002 1.00 0.00 H new ATOM 0 HA LEU A 34 7.558 2.432 3.440 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.323 3.327 1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.600 1.597 1.655 1.00 0.00 H new ATOM 0 HG LEU A 34 5.679 2.699 4.382 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.252 3.119 4.549 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.028 4.273 3.437 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.091 2.905 2.789 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.103 0.800 4.707 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.970 0.617 2.941 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.519 0.295 3.756 1.00 0.00 H new ATOM 553 N ARG A 35 7.879 2.266 0.145 1.00 0.00 N ATOM 554 CA ARG A 35 8.607 1.569 -0.936 1.00 0.00 C ATOM 555 C ARG A 35 10.116 1.710 -0.724 1.00 0.00 C ATOM 556 O ARG A 35 10.869 0.741 -0.838 1.00 0.00 O ATOM 557 CB ARG A 35 8.291 2.145 -2.337 1.00 0.00 C ATOM 558 CG ARG A 35 7.008 2.973 -2.328 1.00 0.00 C ATOM 559 CD ARG A 35 6.524 3.275 -3.753 1.00 0.00 C ATOM 560 NE ARG A 35 5.729 2.171 -4.262 1.00 0.00 N ATOM 561 CZ ARG A 35 6.289 1.166 -4.907 1.00 0.00 C ATOM 562 NH1 ARG A 35 6.504 1.245 -6.185 1.00 0.00 N ATOM 563 NH2 ARG A 35 6.633 0.110 -4.251 1.00 0.00 N ATOM 0 H ARG A 35 7.258 3.010 -0.173 1.00 0.00 H new ATOM 0 HA ARG A 35 8.285 0.528 -0.897 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.122 2.765 -2.672 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.193 1.329 -3.053 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.231 2.436 -1.785 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.181 3.908 -1.795 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.932 4.190 -3.757 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.380 3.447 -4.406 1.00 0.00 H new ATOM 0 HE ARG A 35 4.719 2.173 -4.118 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.240 2.087 -6.696 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.937 0.465 -6.678 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.471 0.059 -3.245 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.067 -0.674 -4.738 1.00 0.00 H new ATOM 577 N ASP A 36 10.534 2.944 -0.420 1.00 0.00 N ATOM 578 CA ASP A 36 11.939 3.264 -0.194 1.00 0.00 C ATOM 579 C ASP A 36 12.472 2.517 1.017 1.00 0.00 C ATOM 580 O ASP A 36 13.625 2.081 1.041 1.00 0.00 O ATOM 581 CB ASP A 36 12.093 4.765 0.024 1.00 0.00 C ATOM 582 CG ASP A 36 13.572 5.152 0.046 1.00 0.00 C ATOM 583 OD1 ASP A 36 14.123 5.372 -1.020 1.00 0.00 O ATOM 584 OD2 ASP A 36 14.131 5.218 1.129 1.00 0.00 O ATOM 0 H ASP A 36 9.907 3.743 -0.325 1.00 0.00 H new ATOM 0 HA ASP A 36 12.510 2.959 -1.071 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.580 5.309 -0.770 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.621 5.053 0.964 1.00 0.00 H new ATOM 589 N ASP A 37 11.611 2.383 2.017 1.00 0.00 N ATOM 590 CA ASP A 37 11.970 1.693 3.246 1.00 0.00 C ATOM 591 C ASP A 37 10.737 1.055 3.869 1.00 0.00 C ATOM 592 O ASP A 37 9.965 1.712 4.575 1.00 0.00 O ATOM 593 CB ASP A 37 12.633 2.663 4.236 1.00 0.00 C ATOM 594 CG ASP A 37 13.330 1.882 5.354 1.00 0.00 C ATOM 595 OD1 ASP A 37 12.649 1.159 6.065 1.00 0.00 O ATOM 596 OD2 ASP A 37 14.534 2.017 5.483 1.00 0.00 O ATOM 0 H ASP A 37 10.657 2.744 2.000 1.00 0.00 H new ATOM 0 HA ASP A 37 12.686 0.907 3.007 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.357 3.289 3.714 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.883 3.330 4.661 1.00 0.00 H new ATOM 601 N PRO A 38 10.539 -0.213 3.611 1.00 0.00 N ATOM 602 CA PRO A 38 9.377 -0.962 4.144 1.00 0.00 C ATOM 603 C PRO A 38 9.454 -1.193 5.647 1.00 0.00 C ATOM 604 O PRO A 38 8.428 -1.269 6.320 1.00 0.00 O ATOM 605 CB PRO A 38 9.385 -2.283 3.386 1.00 0.00 C ATOM 606 CG PRO A 38 10.532 -2.258 2.428 1.00 0.00 C ATOM 607 CD PRO A 38 11.406 -1.067 2.783 1.00 0.00 C ATOM 0 HA PRO A 38 8.455 -0.398 4.002 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.485 -3.119 4.078 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.445 -2.422 2.852 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.103 -3.184 2.492 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.172 -2.176 1.403 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.297 -1.376 3.329 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.745 -0.542 1.890 1.00 0.00 H new ATOM 615 N SER A 39 10.670 -1.285 6.169 1.00 0.00 N ATOM 616 CA SER A 39 10.859 -1.480 7.602 1.00 0.00 C ATOM 617 C SER A 39 10.275 -0.281 8.338 1.00 0.00 C ATOM 618 O SER A 39 9.824 -0.386 9.480 1.00 0.00 O ATOM 619 CB SER A 39 12.348 -1.627 7.931 1.00 0.00 C ATOM 620 OG SER A 39 12.492 -2.005 9.293 1.00 0.00 O ATOM 0 H SER A 39 11.533 -1.229 5.629 1.00 0.00 H new ATOM 0 HA SER A 39 10.352 -2.392 7.917 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.803 -2.376 7.283 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.868 -0.687 7.745 1.00 0.00 H new ATOM 0 HG SER A 39 13.443 -2.102 9.507 1.00 0.00 H new ATOM 626 N GLN A 40 10.290 0.860 7.647 1.00 0.00 N ATOM 627 CA GLN A 40 9.769 2.106 8.187 1.00 0.00 C ATOM 628 C GLN A 40 8.262 2.226 7.958 1.00 0.00 C ATOM 629 O GLN A 40 7.655 3.201 8.363 1.00 0.00 O ATOM 630 CB GLN A 40 10.473 3.297 7.512 1.00 0.00 C ATOM 631 CG GLN A 40 11.541 3.882 8.442 1.00 0.00 C ATOM 632 CD GLN A 40 12.739 2.937 8.544 1.00 0.00 C ATOM 633 OE1 GLN A 40 12.620 1.833 9.076 1.00 0.00 O ATOM 634 NE2 GLN A 40 13.892 3.307 8.061 1.00 0.00 N ATOM 0 H GLN A 40 10.663 0.941 6.701 1.00 0.00 H new ATOM 0 HA GLN A 40 9.959 2.111 9.260 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.932 2.974 6.578 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.742 4.065 7.259 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.867 4.852 8.066 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.117 4.049 9.432 1.00 0.00 H new ATOM 0 HE21 GLN A 40 13.991 4.222 7.620 1.00 0.00 H new ATOM 0 HE22 GLN A 40 14.696 2.682 8.124 1.00 0.00 H new ATOM 643 N SER A 41 7.662 1.248 7.293 1.00 0.00 N ATOM 644 CA SER A 41 6.229 1.302 6.994 1.00 0.00 C ATOM 645 C SER A 41 5.402 1.624 8.240 1.00 0.00 C ATOM 646 O SER A 41 4.428 2.372 8.171 1.00 0.00 O ATOM 647 CB SER A 41 5.788 -0.056 6.450 1.00 0.00 C ATOM 648 OG SER A 41 5.906 -1.038 7.469 1.00 0.00 O ATOM 0 H SER A 41 8.136 0.412 6.951 1.00 0.00 H new ATOM 0 HA SER A 41 6.064 2.092 6.262 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.757 -0.002 6.101 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.401 -0.332 5.592 1.00 0.00 H new ATOM 0 HG SER A 41 6.789 -1.460 7.416 1.00 0.00 H new ATOM 654 N ALA A 42 5.825 1.083 9.375 1.00 0.00 N ATOM 655 CA ALA A 42 5.153 1.329 10.642 1.00 0.00 C ATOM 656 C ALA A 42 5.313 2.783 11.036 1.00 0.00 C ATOM 657 O ALA A 42 4.399 3.417 11.559 1.00 0.00 O ATOM 658 CB ALA A 42 5.813 0.487 11.719 1.00 0.00 C ATOM 0 H ALA A 42 6.635 0.467 9.443 1.00 0.00 H new ATOM 0 HA ALA A 42 4.097 1.080 10.538 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.317 0.663 12.674 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.731 -0.568 11.457 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.865 0.760 11.801 1.00 0.00 H new ATOM 664 N ASN A 43 6.512 3.277 10.781 1.00 0.00 N ATOM 665 CA ASN A 43 6.884 4.636 11.092 1.00 0.00 C ATOM 666 C ASN A 43 6.129 5.628 10.217 1.00 0.00 C ATOM 667 O ASN A 43 5.785 6.718 10.643 1.00 0.00 O ATOM 668 CB ASN A 43 8.385 4.772 10.856 1.00 0.00 C ATOM 669 CG ASN A 43 9.160 4.316 12.088 1.00 0.00 C ATOM 670 OD1 ASN A 43 9.117 4.971 13.129 1.00 0.00 O ATOM 671 ND2 ASN A 43 9.870 3.224 12.032 1.00 0.00 N ATOM 0 H ASN A 43 7.259 2.735 10.347 1.00 0.00 H new ATOM 0 HA ASN A 43 6.631 4.857 12.129 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.679 4.176 9.992 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.631 5.809 10.627 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.391 2.912 12.852 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.905 2.682 11.169 1.00 0.00 H new ATOM 678 N LEU A 44 5.896 5.216 8.989 1.00 0.00 N ATOM 679 CA LEU A 44 5.200 6.014 7.993 1.00 0.00 C ATOM 680 C LEU A 44 3.747 6.032 8.318 1.00 0.00 C ATOM 681 O LEU A 44 3.068 7.050 8.215 1.00 0.00 O ATOM 682 CB LEU A 44 5.500 5.380 6.648 1.00 0.00 C ATOM 683 CG LEU A 44 7.023 5.392 6.531 1.00 0.00 C ATOM 684 CD1 LEU A 44 7.510 4.452 5.447 1.00 0.00 C ATOM 685 CD2 LEU A 44 7.453 6.813 6.275 1.00 0.00 C ATOM 0 H LEU A 44 6.189 4.301 8.645 1.00 0.00 H new ATOM 0 HA LEU A 44 5.526 7.054 7.975 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.109 4.364 6.596 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.038 5.942 5.836 1.00 0.00 H new ATOM 0 HG LEU A 44 7.470 5.031 7.457 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.598 4.489 5.395 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.192 3.435 5.677 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.090 4.755 4.488 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.539 6.854 6.186 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.000 7.169 5.350 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.132 7.445 7.103 1.00 0.00 H new ATOM 697 N LEU A 45 3.324 4.897 8.797 1.00 0.00 N ATOM 698 CA LEU A 45 1.972 4.730 9.271 1.00 0.00 C ATOM 699 C LEU A 45 1.818 5.626 10.492 1.00 0.00 C ATOM 700 O LEU A 45 0.796 6.274 10.694 1.00 0.00 O ATOM 701 CB LEU A 45 1.735 3.259 9.630 1.00 0.00 C ATOM 702 CG LEU A 45 0.476 3.103 10.490 1.00 0.00 C ATOM 703 CD1 LEU A 45 -0.739 3.693 9.765 1.00 0.00 C ATOM 704 CD2 LEU A 45 0.256 1.615 10.766 1.00 0.00 C ATOM 0 H LEU A 45 3.902 4.060 8.872 1.00 0.00 H new ATOM 0 HA LEU A 45 1.240 5.004 8.511 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.633 2.670 8.719 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.599 2.868 10.168 1.00 0.00 H new ATOM 0 HG LEU A 45 0.603 3.639 11.431 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.626 3.575 10.387 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.569 4.752 9.572 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.887 3.171 8.819 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.637 1.487 11.378 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.129 1.085 9.822 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.119 1.212 11.295 1.00 0.00 H new ATOM 716 N ALA A 46 2.887 5.672 11.275 1.00 0.00 N ATOM 717 CA ALA A 46 2.939 6.500 12.465 1.00 0.00 C ATOM 718 C ALA A 46 2.887 7.959 12.078 1.00 0.00 C ATOM 719 O ALA A 46 2.141 8.755 12.652 1.00 0.00 O ATOM 720 CB ALA A 46 4.246 6.255 13.211 1.00 0.00 C ATOM 0 H ALA A 46 3.738 5.137 11.101 1.00 0.00 H new ATOM 0 HA ALA A 46 2.089 6.247 13.099 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.278 6.880 14.103 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.309 5.206 13.500 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.087 6.504 12.563 1.00 0.00 H new ATOM 726 N GLU A 47 3.689 8.281 11.075 1.00 0.00 N ATOM 727 CA GLU A 47 3.769 9.617 10.551 1.00 0.00 C ATOM 728 C GLU A 47 2.442 10.010 9.963 1.00 0.00 C ATOM 729 O GLU A 47 2.016 11.148 10.063 1.00 0.00 O ATOM 730 CB GLU A 47 4.806 9.646 9.441 1.00 0.00 C ATOM 731 CG GLU A 47 6.230 9.740 9.982 1.00 0.00 C ATOM 732 CD GLU A 47 6.366 10.870 11.010 1.00 0.00 C ATOM 733 OE1 GLU A 47 6.024 11.997 10.682 1.00 0.00 O ATOM 734 OE2 GLU A 47 6.800 10.588 12.115 1.00 0.00 O ATOM 0 H GLU A 47 4.301 7.613 10.606 1.00 0.00 H new ATOM 0 HA GLU A 47 4.040 10.304 11.353 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.709 8.747 8.833 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.611 10.496 8.787 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.509 8.792 10.442 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.923 9.911 9.158 1.00 0.00 H new ATOM 741 N ALA A 48 1.799 9.041 9.346 1.00 0.00 N ATOM 742 CA ALA A 48 0.526 9.257 8.734 1.00 0.00 C ATOM 743 C ALA A 48 -0.510 9.513 9.804 1.00 0.00 C ATOM 744 O ALA A 48 -1.264 10.473 9.721 1.00 0.00 O ATOM 745 CB ALA A 48 0.191 8.027 7.933 1.00 0.00 C ATOM 0 H ALA A 48 2.152 8.088 9.260 1.00 0.00 H new ATOM 0 HA ALA A 48 0.545 10.126 8.076 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.778 8.159 7.451 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.956 7.869 7.173 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.152 7.161 8.594 1.00 0.00 H new ATOM 751 N LYS A 49 -0.496 8.675 10.838 1.00 0.00 N ATOM 752 CA LYS A 49 -1.402 8.851 11.962 1.00 0.00 C ATOM 753 C LYS A 49 -1.153 10.221 12.569 1.00 0.00 C ATOM 754 O LYS A 49 -2.067 10.860 13.079 1.00 0.00 O ATOM 755 CB LYS A 49 -1.180 7.751 13.011 1.00 0.00 C ATOM 756 CG LYS A 49 -1.629 6.391 12.450 1.00 0.00 C ATOM 757 CD LYS A 49 -3.153 6.246 12.564 1.00 0.00 C ATOM 758 CE LYS A 49 -3.617 4.998 11.801 1.00 0.00 C ATOM 759 NZ LYS A 49 -2.947 3.787 12.359 1.00 0.00 N ATOM 0 H LYS A 49 0.130 7.873 10.918 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.434 8.779 11.619 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.127 7.709 13.289 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.740 7.983 13.917 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.325 6.302 11.407 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.138 5.585 12.995 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.443 6.171 13.612 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.643 7.132 12.161 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.699 4.894 11.879 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.382 5.100 10.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.277 2.942 11.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.917 3.878 12.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.179 3.696 13.369 1.00 0.00 H new ATOM 773 N LYS A 50 0.099 10.669 12.479 1.00 0.00 N ATOM 774 CA LYS A 50 0.479 11.965 12.987 1.00 0.00 C ATOM 775 C LYS A 50 -0.014 13.064 12.064 1.00 0.00 C ATOM 776 O LYS A 50 -0.511 14.096 12.515 1.00 0.00 O ATOM 777 CB LYS A 50 2.004 12.023 13.133 1.00 0.00 C ATOM 778 CG LYS A 50 2.439 13.305 13.858 1.00 0.00 C ATOM 779 CD LYS A 50 3.869 13.665 13.433 1.00 0.00 C ATOM 780 CE LYS A 50 4.873 12.692 14.063 1.00 0.00 C ATOM 781 NZ LYS A 50 6.239 12.990 13.547 1.00 0.00 N ATOM 0 H LYS A 50 0.863 10.142 12.055 1.00 0.00 H new ATOM 0 HA LYS A 50 0.020 12.119 13.964 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.353 11.151 13.687 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.469 11.982 12.148 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.759 14.122 13.617 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.393 13.160 14.937 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.952 13.631 12.347 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.100 14.685 13.739 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.854 12.784 15.149 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.599 11.664 13.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.669 12.117 13.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.176 13.693 12.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.826 13.368 14.318 1.00 0.00 H new ATOM 795 N LEU A 51 0.145 12.830 10.770 1.00 0.00 N ATOM 796 CA LEU A 51 -0.264 13.798 9.771 1.00 0.00 C ATOM 797 C LEU A 51 -1.775 13.898 9.715 1.00 0.00 C ATOM 798 O LEU A 51 -2.330 14.994 9.656 1.00 0.00 O ATOM 799 CB LEU A 51 0.291 13.419 8.390 1.00 0.00 C ATOM 800 CG LEU A 51 1.607 14.159 8.106 1.00 0.00 C ATOM 801 CD1 LEU A 51 1.405 15.675 8.241 1.00 0.00 C ATOM 802 CD2 LEU A 51 2.703 13.684 9.072 1.00 0.00 C ATOM 0 H LEU A 51 0.555 11.977 10.390 1.00 0.00 H new ATOM 0 HA LEU A 51 0.141 14.770 10.054 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.457 12.343 8.343 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.441 13.662 7.620 1.00 0.00 H new ATOM 0 HG LEU A 51 1.918 13.937 7.085 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.345 16.187 8.037 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.650 16.006 7.528 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.076 15.910 9.253 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.630 14.216 8.860 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.396 13.885 10.098 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.862 12.613 8.944 1.00 0.00 H new ATOM 814 N ASN A 52 -2.434 12.745 9.754 1.00 0.00 N ATOM 815 CA ASN A 52 -3.874 12.709 9.733 1.00 0.00 C ATOM 816 C ASN A 52 -4.386 13.366 11.008 1.00 0.00 C ATOM 817 O ASN A 52 -5.323 14.159 10.979 1.00 0.00 O ATOM 818 CB ASN A 52 -4.360 11.254 9.613 1.00 0.00 C ATOM 819 CG ASN A 52 -4.995 10.764 10.910 1.00 0.00 C ATOM 820 OD1 ASN A 52 -4.304 10.307 11.814 1.00 0.00 O ATOM 821 ND2 ASN A 52 -6.279 10.839 11.048 1.00 0.00 N ATOM 0 H ASN A 52 -1.986 11.830 9.800 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.261 13.254 8.872 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.084 11.178 8.802 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.520 10.610 9.353 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.719 10.518 11.910 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -6.852 11.220 10.295 1.00 0.00 H new ATOM 828 N ASP A 53 -3.736 13.033 12.132 1.00 0.00 N ATOM 829 CA ASP A 53 -4.112 13.605 13.413 1.00 0.00 C ATOM 830 C ASP A 53 -3.893 15.112 13.389 1.00 0.00 C ATOM 831 O ASP A 53 -4.706 15.880 13.906 1.00 0.00 O ATOM 832 CB ASP A 53 -3.312 12.971 14.550 1.00 0.00 C ATOM 833 CG ASP A 53 -3.689 13.608 15.887 1.00 0.00 C ATOM 834 OD1 ASP A 53 -4.663 13.170 16.477 1.00 0.00 O ATOM 835 OD2 ASP A 53 -3.000 14.528 16.297 1.00 0.00 O ATOM 0 H ASP A 53 -2.956 12.376 12.171 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.168 13.399 13.588 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.504 11.899 14.584 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.245 13.098 14.367 1.00 0.00 H new ATOM 840 N ALA A 54 -2.793 15.523 12.762 1.00 0.00 N ATOM 841 CA ALA A 54 -2.472 16.931 12.634 1.00 0.00 C ATOM 842 C ALA A 54 -3.531 17.605 11.770 1.00 0.00 C ATOM 843 O ALA A 54 -3.945 18.735 12.035 1.00 0.00 O ATOM 844 CB ALA A 54 -1.090 17.093 11.997 1.00 0.00 C ATOM 0 H ALA A 54 -2.112 14.895 12.336 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.457 17.397 13.619 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.854 18.153 11.903 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.341 16.609 12.624 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.088 16.632 11.009 1.00 0.00 H new ATOM 850 N GLN A 55 -3.973 16.875 10.742 1.00 0.00 N ATOM 851 CA GLN A 55 -4.999 17.360 9.827 1.00 0.00 C ATOM 852 C GLN A 55 -6.398 16.978 10.322 1.00 0.00 C ATOM 853 O GLN A 55 -7.386 17.138 9.601 1.00 0.00 O ATOM 854 CB GLN A 55 -4.750 16.749 8.448 1.00 0.00 C ATOM 855 CG GLN A 55 -3.489 17.363 7.831 1.00 0.00 C ATOM 856 CD GLN A 55 -3.079 16.567 6.601 1.00 0.00 C ATOM 857 OE1 GLN A 55 -2.768 15.311 6.736 1.00 0.00 O flip ATOM 858 NE2 GLN A 55 -3.045 17.098 5.492 1.00 0.00 N flip ATOM 0 H GLN A 55 -3.630 15.939 10.525 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.948 18.447 9.773 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.635 15.668 8.534 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.608 16.928 7.800 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.675 18.402 7.558 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.680 17.365 8.561 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.290 18.083 5.390 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.772 16.553 4.674 1.00 0.00 H new ATOM 867 N ALA A 56 -6.472 16.462 11.555 1.00 0.00 N ATOM 868 CA ALA A 56 -7.749 16.048 12.138 1.00 0.00 C ATOM 869 C ALA A 56 -8.671 17.244 12.360 1.00 0.00 C ATOM 870 O ALA A 56 -8.229 18.395 12.329 1.00 0.00 O ATOM 871 CB ALA A 56 -7.515 15.307 13.459 1.00 0.00 C ATOM 0 H ALA A 56 -5.666 16.323 12.164 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.236 15.374 11.434 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.473 15.005 13.881 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.904 14.423 13.277 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.001 15.965 14.159 1.00 0.00 H new ATOM 981 N PHE B 5 -10.278 -11.703 2.046 1.00 0.00 N ATOM 982 CA PHE B 5 -8.961 -11.361 1.546 1.00 0.00 C ATOM 983 C PHE B 5 -8.372 -10.152 2.254 1.00 0.00 C ATOM 984 O PHE B 5 -7.417 -9.584 1.771 1.00 0.00 O ATOM 985 CB PHE B 5 -9.045 -11.105 0.036 1.00 0.00 C ATOM 986 CG PHE B 5 -9.185 -12.431 -0.660 1.00 0.00 C ATOM 987 CD1 PHE B 5 -10.361 -13.167 -0.506 1.00 0.00 C ATOM 988 CD2 PHE B 5 -8.132 -12.939 -1.427 1.00 0.00 C ATOM 989 CE1 PHE B 5 -10.491 -14.412 -1.125 1.00 0.00 C ATOM 990 CE2 PHE B 5 -8.257 -14.187 -2.041 1.00 0.00 C ATOM 991 CZ PHE B 5 -9.436 -14.923 -1.892 1.00 0.00 C ATOM 0 HA PHE B 5 -8.296 -12.201 1.747 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -9.896 -10.464 -0.194 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -8.152 -10.586 -0.312 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -11.170 -12.774 0.092 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -7.223 -12.367 -1.544 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -11.403 -14.980 -1.013 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -7.443 -14.583 -2.630 1.00 0.00 H new ATOM 0 HZ PHE B 5 -9.534 -15.887 -2.369 1.00 0.00 H new ATOM 1001 N ASN B 6 -8.919 -9.768 3.404 1.00 0.00 N ATOM 1002 CA ASN B 6 -8.356 -8.629 4.141 1.00 0.00 C ATOM 1003 C ASN B 6 -6.884 -8.915 4.415 1.00 0.00 C ATOM 1004 O ASN B 6 -6.025 -8.076 4.159 1.00 0.00 O ATOM 1005 CB ASN B 6 -9.115 -8.418 5.459 1.00 0.00 C ATOM 1006 CG ASN B 6 -8.807 -7.037 6.044 1.00 0.00 C ATOM 1007 OD1 ASN B 6 -7.596 -6.556 5.983 1.00 0.00 O flip ATOM 1008 ND2 ASN B 6 -9.701 -6.376 6.570 1.00 0.00 N flip ATOM 0 H ASN B 6 -9.728 -10.210 3.840 1.00 0.00 H new ATOM 0 HA ASN B 6 -8.453 -7.719 3.550 1.00 0.00 H new ATOM 0 HB2 ASN B 6 -10.187 -8.515 5.287 1.00 0.00 H new ATOM 0 HB3 ASN B 6 -8.835 -9.192 6.174 1.00 0.00 H new ATOM 0 HD21 ASN B 6 -10.649 -6.749 6.620 1.00 0.00 H new ATOM 0 HD22 ASN B 6 -9.494 -5.455 6.957 1.00 0.00 H new ATOM 1015 N LYS B 7 -6.609 -10.132 4.881 1.00 0.00 N ATOM 1016 CA LYS B 7 -5.240 -10.572 5.139 1.00 0.00 C ATOM 1017 C LYS B 7 -4.459 -10.626 3.826 1.00 0.00 C ATOM 1018 O LYS B 7 -3.315 -10.172 3.742 1.00 0.00 O ATOM 1019 CB LYS B 7 -5.280 -11.970 5.776 1.00 0.00 C ATOM 1020 CG LYS B 7 -3.860 -12.519 5.977 1.00 0.00 C ATOM 1021 CD LYS B 7 -3.940 -13.956 6.511 1.00 0.00 C ATOM 1022 CE LYS B 7 -2.530 -14.527 6.689 1.00 0.00 C ATOM 1023 NZ LYS B 7 -2.607 -16.012 6.792 1.00 0.00 N ATOM 0 H LYS B 7 -7.320 -10.833 5.088 1.00 0.00 H new ATOM 0 HA LYS B 7 -4.748 -9.872 5.814 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -5.796 -11.923 6.735 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -5.850 -12.648 5.141 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -3.314 -12.500 5.034 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -3.310 -11.889 6.677 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -4.470 -13.970 7.463 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -4.509 -14.578 5.820 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -1.901 -14.242 5.846 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -2.068 -14.113 7.585 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -1.650 -16.402 6.913 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -3.193 -16.273 7.610 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -3.031 -16.399 5.925 1.00 0.00 H new ATOM 1037 N GLU B 8 -5.104 -11.205 2.816 1.00 0.00 N ATOM 1038 CA GLU B 8 -4.511 -11.366 1.491 1.00 0.00 C ATOM 1039 C GLU B 8 -4.277 -10.016 0.809 1.00 0.00 C ATOM 1040 O GLU B 8 -3.298 -9.836 0.079 1.00 0.00 O ATOM 1041 CB GLU B 8 -5.466 -12.208 0.621 1.00 0.00 C ATOM 1042 CG GLU B 8 -5.711 -13.588 1.263 1.00 0.00 C ATOM 1043 CD GLU B 8 -4.387 -14.277 1.605 1.00 0.00 C ATOM 1044 OE1 GLU B 8 -3.607 -14.510 0.696 1.00 0.00 O ATOM 1045 OE2 GLU B 8 -4.177 -14.565 2.773 1.00 0.00 O ATOM 0 H GLU B 8 -6.051 -11.575 2.893 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.546 -11.860 1.605 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -6.414 -11.684 0.500 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -5.043 -12.335 -0.375 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -6.309 -13.471 2.167 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -6.285 -14.214 0.580 1.00 0.00 H new ATOM 1052 N ARG B 9 -5.200 -9.088 1.039 1.00 0.00 N ATOM 1053 CA ARG B 9 -5.145 -7.766 0.446 1.00 0.00 C ATOM 1054 C ARG B 9 -3.904 -7.012 0.906 1.00 0.00 C ATOM 1055 O ARG B 9 -3.205 -6.422 0.088 1.00 0.00 O ATOM 1056 CB ARG B 9 -6.399 -6.973 0.836 1.00 0.00 C ATOM 1057 CG ARG B 9 -6.371 -5.593 0.171 1.00 0.00 C ATOM 1058 CD ARG B 9 -7.658 -4.833 0.498 1.00 0.00 C ATOM 1059 NE ARG B 9 -7.721 -4.549 1.930 1.00 0.00 N ATOM 1060 CZ ARG B 9 -8.883 -4.477 2.570 1.00 0.00 C ATOM 1061 NH1 ARG B 9 -9.860 -3.769 2.078 1.00 0.00 N ATOM 1062 NH2 ARG B 9 -9.045 -5.118 3.692 1.00 0.00 N ATOM 0 H ARG B 9 -6.007 -9.237 1.644 1.00 0.00 H new ATOM 0 HA ARG B 9 -5.099 -7.878 -0.637 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -7.293 -7.516 0.530 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -6.448 -6.863 1.919 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -5.506 -5.029 0.520 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -6.266 -5.702 -0.909 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -7.694 -3.902 -0.068 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -8.524 -5.422 0.197 1.00 0.00 H new ATOM 0 HE ARG B 9 -6.855 -4.403 2.449 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -9.734 -3.268 1.199 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -10.751 -3.716 2.572 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -8.281 -5.673 4.077 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -9.936 -5.065 4.186 1.00 0.00 H new ATOM 1076 N VAL B 10 -3.628 -7.029 2.219 1.00 0.00 N ATOM 1077 CA VAL B 10 -2.457 -6.321 2.730 1.00 0.00 C ATOM 1078 C VAL B 10 -1.190 -6.881 2.089 1.00 0.00 C ATOM 1079 O VAL B 10 -0.283 -6.124 1.774 1.00 0.00 O ATOM 1080 CB VAL B 10 -2.377 -6.273 4.290 1.00 0.00 C ATOM 1081 CG1 VAL B 10 -3.717 -6.649 4.954 1.00 0.00 C ATOM 1082 CG2 VAL B 10 -1.273 -7.178 4.831 1.00 0.00 C ATOM 0 H VAL B 10 -4.185 -7.512 2.924 1.00 0.00 H new ATOM 0 HA VAL B 10 -2.558 -5.275 2.439 1.00 0.00 H new ATOM 0 HB VAL B 10 -2.142 -5.239 4.544 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -3.612 -6.601 6.038 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -4.490 -5.951 4.633 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -3.997 -7.661 4.661 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -1.251 -7.115 5.919 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -1.467 -8.208 4.531 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -0.311 -6.858 4.430 1.00 0.00 H new ATOM 1092 N ILE B 11 -1.135 -8.196 1.864 1.00 0.00 N ATOM 1093 CA ILE B 11 0.041 -8.778 1.217 1.00 0.00 C ATOM 1094 C ILE B 11 0.179 -8.200 -0.190 1.00 0.00 C ATOM 1095 O ILE B 11 1.287 -7.897 -0.628 1.00 0.00 O ATOM 1096 CB ILE B 11 -0.039 -10.313 1.156 1.00 0.00 C ATOM 1097 CG1 ILE B 11 -0.122 -10.877 2.596 1.00 0.00 C ATOM 1098 CG2 ILE B 11 1.214 -10.859 0.435 1.00 0.00 C ATOM 1099 CD1 ILE B 11 0.609 -12.225 2.709 1.00 0.00 C ATOM 0 H ILE B 11 -1.868 -8.860 2.112 1.00 0.00 H new ATOM 0 HA ILE B 11 0.919 -8.524 1.812 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.927 -10.621 0.604 1.00 0.00 H new ATOM 0 HG12 ILE B 11 0.315 -10.164 3.294 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.167 -11.002 2.881 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.162 -11.947 0.389 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.257 -10.455 -0.576 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.108 -10.561 0.983 1.00 0.00 H new ATOM 0 HD11 ILE B 11 0.533 -12.595 3.731 1.00 0.00 H new ATOM 0 HD12 ILE B 11 0.154 -12.944 2.028 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.659 -12.093 2.448 1.00 0.00 H new ATOM 1111 N ALA B 12 -0.957 -8.024 -0.880 1.00 0.00 N ATOM 1112 CA ALA B 12 -0.952 -7.456 -2.218 1.00 0.00 C ATOM 1113 C ALA B 12 -0.506 -6.027 -2.155 1.00 0.00 C ATOM 1114 O ALA B 12 0.345 -5.632 -2.933 1.00 0.00 O ATOM 1115 CB ALA B 12 -2.347 -7.527 -2.828 1.00 0.00 C ATOM 0 H ALA B 12 -1.883 -8.268 -0.528 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.264 -8.028 -2.841 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -2.328 -7.098 -3.830 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -2.667 -8.567 -2.885 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -3.045 -6.966 -2.206 1.00 0.00 H new ATOM 1121 N ILE B 13 -1.047 -5.276 -1.195 1.00 0.00 N ATOM 1122 CA ILE B 13 -0.655 -3.887 -1.024 1.00 0.00 C ATOM 1123 C ILE B 13 0.839 -3.875 -0.810 1.00 0.00 C ATOM 1124 O ILE B 13 1.561 -3.170 -1.490 1.00 0.00 O ATOM 1125 CB ILE B 13 -1.400 -3.284 0.189 1.00 0.00 C ATOM 1126 CG1 ILE B 13 -2.890 -3.323 -0.096 1.00 0.00 C ATOM 1127 CG2 ILE B 13 -1.012 -1.821 0.414 1.00 0.00 C ATOM 1128 CD1 ILE B 13 -3.700 -3.033 1.156 1.00 0.00 C ATOM 0 H ILE B 13 -1.750 -5.606 -0.533 1.00 0.00 H new ATOM 0 HA ILE B 13 -0.912 -3.286 -1.896 1.00 0.00 H new ATOM 0 HB ILE B 13 -1.136 -3.863 1.074 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -3.134 -2.592 -0.867 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -3.162 -4.303 -0.488 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -1.554 -1.429 1.274 1.00 0.00 H new ATOM 0 HG22 ILE B 13 0.060 -1.753 0.599 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -1.265 -1.237 -0.471 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -4.763 -3.068 0.918 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -3.473 -3.780 1.917 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -3.445 -2.042 1.533 1.00 0.00 H new ATOM 1140 N GLY B 14 1.286 -4.733 0.089 1.00 0.00 N ATOM 1141 CA GLY B 14 2.703 -4.880 0.370 1.00 0.00 C ATOM 1142 C GLY B 14 3.465 -5.245 -0.885 1.00 0.00 C ATOM 1143 O GLY B 14 4.554 -4.741 -1.121 1.00 0.00 O ATOM 0 H GLY B 14 0.683 -5.343 0.641 1.00 0.00 H new ATOM 0 HA2 GLY B 14 3.095 -3.950 0.781 1.00 0.00 H new ATOM 0 HA3 GLY B 14 2.850 -5.650 1.127 1.00 0.00 H new ATOM 1147 N GLU B 15 2.879 -6.122 -1.690 1.00 0.00 N ATOM 1148 CA GLU B 15 3.515 -6.556 -2.912 1.00 0.00 C ATOM 1149 C GLU B 15 3.654 -5.370 -3.838 1.00 0.00 C ATOM 1150 O GLU B 15 4.711 -5.178 -4.429 1.00 0.00 O ATOM 1151 CB GLU B 15 2.691 -7.665 -3.554 1.00 0.00 C ATOM 1152 CG GLU B 15 3.559 -8.479 -4.538 1.00 0.00 C ATOM 1153 CD GLU B 15 4.680 -9.216 -3.796 1.00 0.00 C ATOM 1154 OE1 GLU B 15 4.428 -9.720 -2.711 1.00 0.00 O ATOM 1155 OE2 GLU B 15 5.775 -9.279 -4.333 1.00 0.00 O ATOM 0 H GLU B 15 1.966 -6.542 -1.513 1.00 0.00 H new ATOM 0 HA GLU B 15 4.507 -6.955 -2.702 1.00 0.00 H new ATOM 0 HB2 GLU B 15 2.291 -8.323 -2.782 1.00 0.00 H new ATOM 0 HB3 GLU B 15 1.839 -7.235 -4.080 1.00 0.00 H new ATOM 0 HG2 GLU B 15 2.936 -9.198 -5.070 1.00 0.00 H new ATOM 0 HG3 GLU B 15 3.989 -7.814 -5.287 1.00 0.00 H new ATOM 1162 N ILE B 16 2.601 -4.546 -3.936 1.00 0.00 N ATOM 1163 CA ILE B 16 2.714 -3.352 -4.798 1.00 0.00 C ATOM 1164 C ILE B 16 3.887 -2.511 -4.290 1.00 0.00 C ATOM 1165 O ILE B 16 4.769 -2.103 -5.047 1.00 0.00 O ATOM 1166 CB ILE B 16 1.485 -2.397 -4.747 1.00 0.00 C ATOM 1167 CG1 ILE B 16 0.140 -3.124 -4.659 1.00 0.00 C ATOM 1168 CG2 ILE B 16 1.481 -1.514 -5.998 1.00 0.00 C ATOM 1169 CD1 ILE B 16 -0.134 -3.890 -5.939 1.00 0.00 C ATOM 0 H ILE B 16 1.707 -4.668 -3.460 1.00 0.00 H new ATOM 0 HA ILE B 16 2.820 -3.732 -5.814 1.00 0.00 H new ATOM 0 HB ILE B 16 1.590 -1.809 -3.835 1.00 0.00 H new ATOM 0 HG12 ILE B 16 0.145 -3.810 -3.812 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -0.659 -2.404 -4.481 1.00 0.00 H new ATOM 0 HG21 ILE B 16 0.622 -0.843 -5.967 1.00 0.00 H new ATOM 0 HG22 ILE B 16 2.399 -0.927 -6.032 1.00 0.00 H new ATOM 0 HG23 ILE B 16 1.419 -2.142 -6.887 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.094 -4.401 -5.859 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -0.161 -3.196 -6.779 1.00 0.00 H new ATOM 0 HD13 ILE B 16 0.655 -4.624 -6.100 1.00 0.00 H new ATOM 1181 N MET B 17 3.849 -2.265 -2.984 1.00 0.00 N ATOM 1182 CA MET B 17 4.857 -1.478 -2.286 1.00 0.00 C ATOM 1183 C MET B 17 6.248 -2.126 -2.395 1.00 0.00 C ATOM 1184 O MET B 17 7.263 -1.430 -2.341 1.00 0.00 O ATOM 1185 CB MET B 17 4.422 -1.311 -0.835 1.00 0.00 C ATOM 1186 CG MET B 17 3.001 -0.728 -0.792 1.00 0.00 C ATOM 1187 SD MET B 17 3.018 0.957 -1.398 1.00 0.00 S ATOM 1188 CE MET B 17 3.986 1.623 -0.049 1.00 0.00 C ATOM 0 H MET B 17 3.108 -2.611 -2.374 1.00 0.00 H new ATOM 0 HA MET B 17 4.941 -0.495 -2.750 1.00 0.00 H new ATOM 0 HB2 MET B 17 4.448 -2.273 -0.323 1.00 0.00 H new ATOM 0 HB3 MET B 17 5.113 -0.652 -0.310 1.00 0.00 H new ATOM 0 HG2 MET B 17 2.330 -1.336 -1.399 1.00 0.00 H new ATOM 0 HG3 MET B 17 2.618 -0.753 0.228 1.00 0.00 H new ATOM 0 HE1 MET B 17 3.427 2.420 0.442 1.00 0.00 H new ATOM 0 HE2 MET B 17 4.199 0.833 0.671 1.00 0.00 H new ATOM 0 HE3 MET B 17 4.923 2.023 -0.436 1.00 0.00 H new ATOM 1198 N ARG B 18 6.294 -3.453 -2.573 1.00 0.00 N ATOM 1199 CA ARG B 18 7.569 -4.159 -2.729 1.00 0.00 C ATOM 1200 C ARG B 18 8.177 -3.841 -4.091 1.00 0.00 C ATOM 1201 O ARG B 18 9.395 -3.702 -4.222 1.00 0.00 O ATOM 1202 CB ARG B 18 7.376 -5.670 -2.627 1.00 0.00 C ATOM 1203 CG ARG B 18 7.091 -6.086 -1.183 1.00 0.00 C ATOM 1204 CD ARG B 18 8.361 -6.624 -0.512 1.00 0.00 C ATOM 1205 NE ARG B 18 8.672 -7.968 -1.000 1.00 0.00 N ATOM 1206 CZ ARG B 18 7.889 -9.005 -0.718 1.00 0.00 C ATOM 1207 NH1 ARG B 18 8.078 -9.691 0.374 1.00 0.00 N ATOM 1208 NH2 ARG B 18 6.932 -9.336 -1.534 1.00 0.00 N ATOM 0 H ARG B 18 5.470 -4.053 -2.612 1.00 0.00 H new ATOM 0 HA ARG B 18 8.232 -3.827 -1.930 1.00 0.00 H new ATOM 0 HB2 ARG B 18 6.551 -5.980 -3.269 1.00 0.00 H new ATOM 0 HB3 ARG B 18 8.269 -6.180 -2.987 1.00 0.00 H new ATOM 0 HG2 ARG B 18 6.711 -5.232 -0.622 1.00 0.00 H new ATOM 0 HG3 ARG B 18 6.314 -6.850 -1.166 1.00 0.00 H new ATOM 0 HD2 ARG B 18 9.197 -5.955 -0.715 1.00 0.00 H new ATOM 0 HD3 ARG B 18 8.226 -6.646 0.569 1.00 0.00 H new ATOM 0 HE ARG B 18 9.507 -8.112 -1.568 1.00 0.00 H new ATOM 0 HH11 ARG B 18 8.828 -9.433 1.015 1.00 0.00 H new ATOM 0 HH12 ARG B 18 7.476 -10.486 0.588 1.00 0.00 H new ATOM 0 HH21 ARG B 18 6.783 -8.800 -2.389 1.00 0.00 H new ATOM 0 HH22 ARG B 18 6.331 -10.131 -1.319 1.00 0.00 H new ATOM 1222 N LEU B 19 7.306 -3.744 -5.102 1.00 0.00 N ATOM 1223 CA LEU B 19 7.733 -3.461 -6.472 1.00 0.00 C ATOM 1224 C LEU B 19 8.451 -2.118 -6.556 1.00 0.00 C ATOM 1225 O LEU B 19 7.832 -1.070 -6.388 1.00 0.00 O ATOM 1226 CB LEU B 19 6.520 -3.433 -7.409 1.00 0.00 C ATOM 1227 CG LEU B 19 5.787 -4.778 -7.426 1.00 0.00 C ATOM 1228 CD1 LEU B 19 4.482 -4.634 -8.202 1.00 0.00 C ATOM 1229 CD2 LEU B 19 6.638 -5.833 -8.108 1.00 0.00 C ATOM 0 H LEU B 19 6.298 -3.858 -4.994 1.00 0.00 H new ATOM 0 HA LEU B 19 8.419 -4.252 -6.775 1.00 0.00 H new ATOM 0 HB2 LEU B 19 5.833 -2.648 -7.092 1.00 0.00 H new ATOM 0 HB3 LEU B 19 6.846 -3.183 -8.419 1.00 0.00 H new ATOM 0 HG LEU B 19 5.588 -5.079 -6.398 1.00 0.00 H new ATOM 0 HD11 LEU B 19 3.959 -5.590 -8.215 1.00 0.00 H new ATOM 0 HD12 LEU B 19 3.854 -3.884 -7.722 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.699 -4.325 -9.225 1.00 0.00 H new ATOM 0 HD21 LEU B 19 6.105 -6.784 -8.113 1.00 0.00 H new ATOM 0 HD22 LEU B 19 6.844 -5.527 -9.134 1.00 0.00 H new ATOM 0 HD23 LEU B 19 7.578 -5.947 -7.568 1.00 0.00 H new ATOM 1241 N PRO B 20 9.741 -2.128 -6.815 1.00 0.00 N ATOM 1242 CA PRO B 20 10.547 -0.884 -6.921 1.00 0.00 C ATOM 1243 C PRO B 20 10.382 -0.162 -8.263 1.00 0.00 C ATOM 1244 O PRO B 20 10.831 0.977 -8.405 1.00 0.00 O ATOM 1245 CB PRO B 20 11.996 -1.369 -6.741 1.00 0.00 C ATOM 1246 CG PRO B 20 11.947 -2.848 -6.537 1.00 0.00 C ATOM 1247 CD PRO B 20 10.591 -3.309 -7.036 1.00 0.00 C ATOM 0 HA PRO B 20 10.232 -0.149 -6.180 1.00 0.00 H new ATOM 0 HB2 PRO B 20 12.596 -1.122 -7.617 1.00 0.00 H new ATOM 0 HB3 PRO B 20 12.462 -0.878 -5.887 1.00 0.00 H new ATOM 0 HG2 PRO B 20 12.750 -3.342 -7.085 1.00 0.00 H new ATOM 0 HG3 PRO B 20 12.078 -3.099 -5.484 1.00 0.00 H new ATOM 0 HD2 PRO B 20 10.623 -3.593 -8.088 1.00 0.00 H new ATOM 0 HD3 PRO B 20 10.230 -4.176 -6.483 1.00 0.00 H new ATOM 1255 N ASN B 21 9.759 -0.824 -9.249 1.00 0.00 N ATOM 1256 CA ASN B 21 9.584 -0.212 -10.566 1.00 0.00 C ATOM 1257 C ASN B 21 8.256 0.542 -10.663 1.00 0.00 C ATOM 1258 O ASN B 21 8.105 1.413 -11.523 1.00 0.00 O ATOM 1259 CB ASN B 21 9.666 -1.277 -11.663 1.00 0.00 C ATOM 1260 CG ASN B 21 10.978 -2.054 -11.563 1.00 0.00 C ATOM 1261 OD1 ASN B 21 10.995 -3.323 -11.859 1.00 0.00 O flip ATOM 1262 ND2 ASN B 21 12.016 -1.492 -11.214 1.00 0.00 N flip ATOM 0 H ASN B 21 9.376 -1.765 -9.159 1.00 0.00 H new ATOM 0 HA ASN B 21 10.390 0.509 -10.706 1.00 0.00 H new ATOM 0 HB2 ASN B 21 8.824 -1.963 -11.575 1.00 0.00 H new ATOM 0 HB3 ASN B 21 9.591 -0.804 -12.642 1.00 0.00 H new ATOM 0 HD21 ASN B 21 12.005 -0.499 -10.982 1.00 0.00 H new ATOM 0 HD22 ASN B 21 12.887 -2.019 -11.157 1.00 0.00 H new ATOM 1269 N LEU B 22 7.295 0.216 -9.786 1.00 0.00 N ATOM 1270 CA LEU B 22 6.001 0.902 -9.816 1.00 0.00 C ATOM 1271 C LEU B 22 6.118 2.333 -9.316 1.00 0.00 C ATOM 1272 O LEU B 22 6.922 2.640 -8.435 1.00 0.00 O ATOM 1273 CB LEU B 22 4.950 0.196 -8.938 1.00 0.00 C ATOM 1274 CG LEU B 22 4.670 -1.230 -9.402 1.00 0.00 C ATOM 1275 CD1 LEU B 22 3.375 -1.733 -8.757 1.00 0.00 C ATOM 1276 CD2 LEU B 22 4.511 -1.248 -10.900 1.00 0.00 C ATOM 0 H LEU B 22 7.387 -0.500 -9.066 1.00 0.00 H new ATOM 0 HA LEU B 22 5.685 0.885 -10.859 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.296 0.178 -7.905 1.00 0.00 H new ATOM 0 HB3 LEU B 22 4.023 0.769 -8.953 1.00 0.00 H new ATOM 0 HG LEU B 22 5.500 -1.873 -9.111 1.00 0.00 H new ATOM 0 HD11 LEU B 22 3.175 -2.752 -9.089 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.479 -1.718 -7.672 1.00 0.00 H new ATOM 0 HD13 LEU B 22 2.548 -1.087 -9.051 1.00 0.00 H new ATOM 0 HD21 LEU B 22 4.311 -2.267 -11.232 1.00 0.00 H new ATOM 0 HD22 LEU B 22 3.680 -0.603 -11.185 1.00 0.00 H new ATOM 0 HD23 LEU B 22 5.427 -0.887 -11.367 1.00 0.00 H new ATOM 1288 N ASN B 23 5.259 3.185 -9.861 1.00 0.00 N ATOM 1289 CA ASN B 23 5.195 4.579 -9.456 1.00 0.00 C ATOM 1290 C ASN B 23 4.358 4.638 -8.174 1.00 0.00 C ATOM 1291 O ASN B 23 3.524 3.765 -7.951 1.00 0.00 O ATOM 1292 CB ASN B 23 4.563 5.372 -10.637 1.00 0.00 C ATOM 1293 CG ASN B 23 3.532 6.415 -10.220 1.00 0.00 C ATOM 1294 OD1 ASN B 23 3.699 7.110 -9.236 1.00 0.00 O ATOM 1295 ND2 ASN B 23 2.464 6.572 -10.952 1.00 0.00 N ATOM 0 H ASN B 23 4.593 2.930 -10.590 1.00 0.00 H new ATOM 0 HA ASN B 23 6.168 5.020 -9.241 1.00 0.00 H new ATOM 0 HB2 ASN B 23 5.359 5.868 -11.192 1.00 0.00 H new ATOM 0 HB3 ASN B 23 4.091 4.666 -11.320 1.00 0.00 H new ATOM 0 HD21 ASN B 23 1.771 7.276 -10.699 1.00 0.00 H new ATOM 0 HD22 ASN B 23 2.322 5.990 -11.778 1.00 0.00 H new ATOM 1302 N SER B 24 4.572 5.657 -7.338 1.00 0.00 N ATOM 1303 CA SER B 24 3.806 5.773 -6.093 1.00 0.00 C ATOM 1304 C SER B 24 2.326 5.898 -6.420 1.00 0.00 C ATOM 1305 O SER B 24 1.481 5.256 -5.799 1.00 0.00 O ATOM 1306 CB SER B 24 4.273 6.981 -5.293 1.00 0.00 C ATOM 1307 OG SER B 24 3.790 6.878 -3.958 1.00 0.00 O ATOM 0 H SER B 24 5.254 6.399 -7.494 1.00 0.00 H new ATOM 0 HA SER B 24 3.967 4.880 -5.489 1.00 0.00 H new ATOM 0 HB2 SER B 24 5.362 7.034 -5.295 1.00 0.00 H new ATOM 0 HB3 SER B 24 3.909 7.899 -5.754 1.00 0.00 H new ATOM 0 HG SER B 24 4.217 7.563 -3.402 1.00 0.00 H new ATOM 1313 N LEU B 25 2.040 6.702 -7.436 1.00 0.00 N ATOM 1314 CA LEU B 25 0.683 6.890 -7.905 1.00 0.00 C ATOM 1315 C LEU B 25 0.188 5.610 -8.565 1.00 0.00 C ATOM 1316 O LEU B 25 -0.978 5.243 -8.418 1.00 0.00 O ATOM 1317 CB LEU B 25 0.611 8.069 -8.889 1.00 0.00 C ATOM 1318 CG LEU B 25 0.016 9.282 -8.199 1.00 0.00 C ATOM 1319 CD1 LEU B 25 -0.058 10.460 -9.180 1.00 0.00 C ATOM 1320 CD2 LEU B 25 -1.379 8.914 -7.709 1.00 0.00 C ATOM 0 H LEU B 25 2.740 7.236 -7.951 1.00 0.00 H new ATOM 0 HA LEU B 25 0.042 7.121 -7.054 1.00 0.00 H new ATOM 0 HB2 LEU B 25 1.608 8.304 -9.262 1.00 0.00 H new ATOM 0 HB3 LEU B 25 0.004 7.797 -9.752 1.00 0.00 H new ATOM 0 HG LEU B 25 0.640 9.580 -7.356 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.486 11.327 -8.676 1.00 0.00 H new ATOM 0 HD12 LEU B 25 0.944 10.704 -9.532 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.685 10.187 -10.029 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -1.827 9.772 -7.209 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -1.998 8.625 -8.558 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -1.311 8.081 -7.009 1.00 0.00 H new ATOM 1332 N GLN B 26 1.095 4.910 -9.258 1.00 0.00 N ATOM 1333 CA GLN B 26 0.732 3.636 -9.892 1.00 0.00 C ATOM 1334 C GLN B 26 0.368 2.645 -8.803 1.00 0.00 C ATOM 1335 O GLN B 26 -0.557 1.848 -8.932 1.00 0.00 O ATOM 1336 CB GLN B 26 1.913 3.047 -10.664 1.00 0.00 C ATOM 1337 CG GLN B 26 1.794 3.305 -12.172 1.00 0.00 C ATOM 1338 CD GLN B 26 3.011 2.722 -12.880 1.00 0.00 C ATOM 1339 OE1 GLN B 26 3.864 1.999 -12.204 1.00 0.00 O flip ATOM 1340 NE2 GLN B 26 3.187 2.920 -14.081 1.00 0.00 N flip ATOM 0 H GLN B 26 2.065 5.196 -9.393 1.00 0.00 H new ATOM 0 HA GLN B 26 -0.096 3.818 -10.577 1.00 0.00 H new ATOM 0 HB2 GLN B 26 2.842 3.480 -10.293 1.00 0.00 H new ATOM 0 HB3 GLN B 26 1.967 1.974 -10.482 1.00 0.00 H new ATOM 0 HG2 GLN B 26 0.882 2.851 -12.559 1.00 0.00 H new ATOM 0 HG3 GLN B 26 1.725 4.376 -12.365 1.00 0.00 H new ATOM 0 HE21 GLN B 26 2.521 3.485 -14.608 1.00 0.00 H new ATOM 0 HE22 GLN B 26 3.999 2.520 -14.550 1.00 0.00 H new ATOM 1349 N VAL B 27 1.131 2.729 -7.725 1.00 0.00 N ATOM 1350 CA VAL B 27 0.946 1.876 -6.574 1.00 0.00 C ATOM 1351 C VAL B 27 -0.396 2.174 -5.951 1.00 0.00 C ATOM 1352 O VAL B 27 -1.164 1.264 -5.669 1.00 0.00 O ATOM 1353 CB VAL B 27 2.125 2.085 -5.616 1.00 0.00 C ATOM 1354 CG1 VAL B 27 1.840 1.490 -4.236 1.00 0.00 C ATOM 1355 CG2 VAL B 27 3.349 1.397 -6.232 1.00 0.00 C ATOM 0 H VAL B 27 1.898 3.395 -7.629 1.00 0.00 H new ATOM 0 HA VAL B 27 0.937 0.821 -6.849 1.00 0.00 H new ATOM 0 HB VAL B 27 2.297 3.153 -5.480 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.697 1.657 -3.584 1.00 0.00 H new ATOM 0 HG12 VAL B 27 0.960 1.969 -3.808 1.00 0.00 H new ATOM 0 HG13 VAL B 27 1.660 0.419 -4.332 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.209 1.526 -5.574 1.00 0.00 H new ATOM 0 HG22 VAL B 27 3.144 0.334 -6.357 1.00 0.00 H new ATOM 0 HG23 VAL B 27 3.565 1.841 -7.204 1.00 0.00 H new ATOM 1365 N VAL B 28 -0.699 3.456 -5.821 1.00 0.00 N ATOM 1366 CA VAL B 28 -1.982 3.874 -5.315 1.00 0.00 C ATOM 1367 C VAL B 28 -3.069 3.343 -6.257 1.00 0.00 C ATOM 1368 O VAL B 28 -4.156 2.987 -5.823 1.00 0.00 O ATOM 1369 CB VAL B 28 -2.048 5.404 -5.225 1.00 0.00 C ATOM 1370 CG1 VAL B 28 -3.433 5.814 -4.719 1.00 0.00 C ATOM 1371 CG2 VAL B 28 -0.961 5.921 -4.260 1.00 0.00 C ATOM 0 H VAL B 28 -0.068 4.221 -6.061 1.00 0.00 H new ATOM 0 HA VAL B 28 -2.135 3.475 -4.312 1.00 0.00 H new ATOM 0 HB VAL B 28 -1.875 5.837 -6.210 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.489 6.900 -4.652 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.194 5.453 -5.411 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.603 5.380 -3.734 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -1.014 7.008 -4.201 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -1.122 5.496 -3.269 1.00 0.00 H new ATOM 0 HG23 VAL B 28 0.022 5.625 -4.627 1.00 0.00 H new ATOM 1381 N ALA B 29 -2.743 3.282 -7.554 1.00 0.00 N ATOM 1382 CA ALA B 29 -3.675 2.783 -8.558 1.00 0.00 C ATOM 1383 C ALA B 29 -4.072 1.358 -8.214 1.00 0.00 C ATOM 1384 O ALA B 29 -5.251 0.998 -8.259 1.00 0.00 O ATOM 1385 CB ALA B 29 -3.009 2.812 -9.944 1.00 0.00 C ATOM 0 H ALA B 29 -1.840 3.573 -7.927 1.00 0.00 H new ATOM 0 HA ALA B 29 -4.563 3.415 -8.573 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -3.709 2.438 -10.692 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -2.727 3.835 -10.191 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -2.119 2.183 -9.933 1.00 0.00 H new ATOM 1391 N PHE B 30 -3.070 0.557 -7.852 1.00 0.00 N ATOM 1392 CA PHE B 30 -3.292 -0.807 -7.489 1.00 0.00 C ATOM 1393 C PHE B 30 -3.944 -0.890 -6.113 1.00 0.00 C ATOM 1394 O PHE B 30 -4.917 -1.613 -5.945 1.00 0.00 O ATOM 1395 CB PHE B 30 -1.944 -1.543 -7.535 1.00 0.00 C ATOM 1396 CG PHE B 30 -1.421 -1.530 -8.970 1.00 0.00 C ATOM 1397 CD1 PHE B 30 -2.210 -2.033 -10.027 1.00 0.00 C ATOM 1398 CD2 PHE B 30 -0.160 -0.969 -9.261 1.00 0.00 C ATOM 1399 CE1 PHE B 30 -1.742 -1.969 -11.336 1.00 0.00 C ATOM 1400 CE2 PHE B 30 0.296 -0.920 -10.574 1.00 0.00 C ATOM 1401 CZ PHE B 30 -0.493 -1.416 -11.612 1.00 0.00 C ATOM 0 H PHE B 30 -2.094 0.851 -7.808 1.00 0.00 H new ATOM 0 HA PHE B 30 -3.977 -1.284 -8.189 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -1.229 -1.061 -6.869 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -2.063 -2.569 -7.187 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -3.177 -2.467 -9.820 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.453 -0.577 -8.463 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -2.350 -2.350 -12.143 1.00 0.00 H new ATOM 0 HE2 PHE B 30 1.265 -0.496 -10.791 1.00 0.00 H new ATOM 0 HZ PHE B 30 -0.136 -1.371 -12.630 1.00 0.00 H new ATOM 1411 N ILE B 31 -3.442 -0.115 -5.143 1.00 0.00 N ATOM 1412 CA ILE B 31 -4.017 -0.125 -3.794 1.00 0.00 C ATOM 1413 C ILE B 31 -5.496 0.248 -3.859 1.00 0.00 C ATOM 1414 O ILE B 31 -6.350 -0.440 -3.303 1.00 0.00 O ATOM 1415 CB ILE B 31 -3.270 0.875 -2.890 1.00 0.00 C ATOM 1416 CG1 ILE B 31 -1.792 0.469 -2.750 1.00 0.00 C ATOM 1417 CG2 ILE B 31 -3.910 0.889 -1.496 1.00 0.00 C ATOM 1418 CD1 ILE B 31 -1.001 1.625 -2.119 1.00 0.00 C ATOM 0 H ILE B 31 -2.651 0.517 -5.265 1.00 0.00 H new ATOM 0 HA ILE B 31 -3.915 -1.126 -3.376 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.334 1.865 -3.343 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -1.706 -0.425 -2.132 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -1.378 0.221 -3.727 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -3.380 1.597 -0.859 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -4.955 1.187 -1.578 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -3.851 -0.108 -1.058 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.046 1.338 -2.020 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.077 2.507 -2.755 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.410 1.851 -1.134 1.00 0.00 H new ATOM 1430 N ASN B 32 -5.783 1.327 -4.569 1.00 0.00 N ATOM 1431 CA ASN B 32 -7.147 1.795 -4.741 1.00 0.00 C ATOM 1432 C ASN B 32 -8.014 0.739 -5.428 1.00 0.00 C ATOM 1433 O ASN B 32 -9.220 0.683 -5.193 1.00 0.00 O ATOM 1434 CB ASN B 32 -7.139 3.074 -5.579 1.00 0.00 C ATOM 1435 CG ASN B 32 -8.511 3.735 -5.577 1.00 0.00 C ATOM 1436 OD1 ASN B 32 -9.291 3.584 -4.635 1.00 0.00 O ATOM 1437 ND2 ASN B 32 -8.845 4.470 -6.592 1.00 0.00 N ATOM 0 H ASN B 32 -5.082 1.899 -5.039 1.00 0.00 H new ATOM 0 HA ASN B 32 -7.570 1.993 -3.756 1.00 0.00 H new ATOM 0 HB2 ASN B 32 -6.397 3.767 -5.184 1.00 0.00 H new ATOM 0 HB3 ASN B 32 -6.845 2.841 -6.602 1.00 0.00 H new ATOM 0 HD21 ASN B 32 -9.757 4.926 -6.613 1.00 0.00 H new ATOM 0 HD22 ASN B 32 -8.196 4.592 -7.369 1.00 0.00 H new ATOM 1444 N SER B 33 -7.400 -0.103 -6.272 1.00 0.00 N ATOM 1445 CA SER B 33 -8.136 -1.134 -6.962 1.00 0.00 C ATOM 1446 C SER B 33 -8.460 -2.261 -5.992 1.00 0.00 C ATOM 1447 O SER B 33 -9.497 -2.907 -6.118 1.00 0.00 O ATOM 1448 CB SER B 33 -7.373 -1.597 -8.191 1.00 0.00 C ATOM 1449 OG SER B 33 -7.666 -0.727 -9.277 1.00 0.00 O ATOM 0 H SER B 33 -6.402 -0.079 -6.482 1.00 0.00 H new ATOM 0 HA SER B 33 -9.085 -0.741 -7.326 1.00 0.00 H new ATOM 0 HB2 SER B 33 -6.302 -1.599 -7.990 1.00 0.00 H new ATOM 0 HB3 SER B 33 -7.652 -2.620 -8.443 1.00 0.00 H new ATOM 0 HG SER B 33 -7.015 0.006 -9.294 1.00 0.00 H new ATOM 1455 N LEU B 34 -7.602 -2.451 -4.976 1.00 0.00 N ATOM 1456 CA LEU B 34 -7.885 -3.455 -3.949 1.00 0.00 C ATOM 1457 C LEU B 34 -9.158 -2.991 -3.262 1.00 0.00 C ATOM 1458 O LEU B 34 -10.092 -3.756 -3.031 1.00 0.00 O ATOM 1459 CB LEU B 34 -6.759 -3.534 -2.905 1.00 0.00 C ATOM 1460 CG LEU B 34 -5.383 -3.575 -3.581 1.00 0.00 C ATOM 1461 CD1 LEU B 34 -4.297 -3.674 -2.541 1.00 0.00 C ATOM 1462 CD2 LEU B 34 -5.278 -4.776 -4.477 1.00 0.00 C ATOM 0 H LEU B 34 -6.731 -1.936 -4.848 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.977 -4.443 -4.401 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.815 -2.673 -2.239 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -6.892 -4.423 -2.289 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.267 -2.661 -4.163 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.324 -3.702 -3.032 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -4.345 -2.808 -1.881 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -4.435 -4.584 -1.956 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.296 -4.792 -4.950 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.412 -5.683 -3.887 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -6.050 -4.726 -5.245 1.00 0.00 H new ATOM 1474 N ARG B 35 -9.175 -1.682 -3.003 1.00 0.00 N ATOM 1475 CA ARG B 35 -10.330 -1.004 -2.407 1.00 0.00 C ATOM 1476 C ARG B 35 -11.555 -1.234 -3.290 1.00 0.00 C ATOM 1477 O ARG B 35 -12.641 -1.558 -2.808 1.00 0.00 O ATOM 1478 CB ARG B 35 -10.035 0.509 -2.348 1.00 0.00 C ATOM 1479 CG ARG B 35 -10.152 1.055 -0.916 1.00 0.00 C ATOM 1480 CD ARG B 35 -8.913 1.895 -0.584 1.00 0.00 C ATOM 1481 NE ARG B 35 -8.722 1.968 0.858 1.00 0.00 N ATOM 1482 CZ ARG B 35 -9.476 2.760 1.611 1.00 0.00 C ATOM 1483 NH1 ARG B 35 -10.627 2.339 2.047 1.00 0.00 N ATOM 1484 NH2 ARG B 35 -9.062 3.958 1.914 1.00 0.00 N ATOM 0 H ARG B 35 -8.390 -1.062 -3.200 1.00 0.00 H new ATOM 0 HA ARG B 35 -10.517 -1.393 -1.406 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -9.032 0.699 -2.729 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -10.729 1.041 -2.998 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -11.052 1.662 -0.820 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -10.246 0.231 -0.208 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -8.032 1.456 -1.052 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -9.025 2.899 -0.994 1.00 0.00 H new ATOM 0 HE ARG B 35 -7.997 1.401 1.297 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -10.950 1.401 1.810 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -11.207 2.947 2.626 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -8.159 4.287 1.573 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -9.641 4.567 2.492 1.00 0.00 H new ATOM 1498 N ASP B 36 -11.340 -1.059 -4.593 1.00 0.00 N ATOM 1499 CA ASP B 36 -12.384 -1.236 -5.597 1.00 0.00 C ATOM 1500 C ASP B 36 -12.856 -2.690 -5.650 1.00 0.00 C ATOM 1501 O ASP B 36 -14.039 -2.960 -5.859 1.00 0.00 O ATOM 1502 CB ASP B 36 -11.830 -0.812 -6.967 1.00 0.00 C ATOM 1503 CG ASP B 36 -11.476 0.686 -6.991 1.00 0.00 C ATOM 1504 OD1 ASP B 36 -11.995 1.430 -6.170 1.00 0.00 O ATOM 1505 OD2 ASP B 36 -10.686 1.068 -7.838 1.00 0.00 O ATOM 0 H ASP B 36 -10.436 -0.790 -4.981 1.00 0.00 H new ATOM 0 HA ASP B 36 -13.241 -0.618 -5.331 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -10.943 -1.401 -7.200 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -12.567 -1.026 -7.741 1.00 0.00 H new ATOM 1510 N ASP B 37 -11.913 -3.615 -5.460 1.00 0.00 N ATOM 1511 CA ASP B 37 -12.214 -5.047 -5.486 1.00 0.00 C ATOM 1512 C ASP B 37 -11.162 -5.826 -4.706 1.00 0.00 C ATOM 1513 O ASP B 37 -10.111 -6.192 -5.245 1.00 0.00 O ATOM 1514 CB ASP B 37 -12.279 -5.558 -6.934 1.00 0.00 C ATOM 1515 CG ASP B 37 -13.734 -5.699 -7.378 1.00 0.00 C ATOM 1516 OD1 ASP B 37 -14.346 -6.694 -7.022 1.00 0.00 O ATOM 1517 OD2 ASP B 37 -14.214 -4.812 -8.064 1.00 0.00 O ATOM 0 H ASP B 37 -10.932 -3.397 -5.286 1.00 0.00 H new ATOM 0 HA ASP B 37 -13.186 -5.200 -5.017 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -11.755 -4.868 -7.595 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -11.773 -6.520 -7.011 1.00 0.00 H new ATOM 1522 N PRO B 38 -11.432 -6.091 -3.451 1.00 0.00 N ATOM 1523 CA PRO B 38 -10.503 -6.851 -2.582 1.00 0.00 C ATOM 1524 C PRO B 38 -10.382 -8.305 -3.025 1.00 0.00 C ATOM 1525 O PRO B 38 -9.371 -8.964 -2.769 1.00 0.00 O ATOM 1526 CB PRO B 38 -11.101 -6.763 -1.182 1.00 0.00 C ATOM 1527 CG PRO B 38 -12.350 -5.943 -1.266 1.00 0.00 C ATOM 1528 CD PRO B 38 -12.655 -5.693 -2.737 1.00 0.00 C ATOM 0 HA PRO B 38 -9.494 -6.440 -2.626 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -11.323 -7.759 -0.799 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -10.391 -6.307 -0.492 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -13.180 -6.464 -0.789 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -12.221 -4.998 -0.738 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -13.513 -6.278 -3.067 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -12.895 -4.645 -2.918 1.00 0.00 H new ATOM 1536 N SER B 39 -11.425 -8.788 -3.698 1.00 0.00 N ATOM 1537 CA SER B 39 -11.452 -10.154 -4.195 1.00 0.00 C ATOM 1538 C SER B 39 -10.390 -10.326 -5.268 1.00 0.00 C ATOM 1539 O SER B 39 -9.761 -11.382 -5.365 1.00 0.00 O ATOM 1540 CB SER B 39 -12.840 -10.469 -4.762 1.00 0.00 C ATOM 1541 OG SER B 39 -13.171 -9.512 -5.762 1.00 0.00 O ATOM 0 H SER B 39 -12.264 -8.248 -3.910 1.00 0.00 H new ATOM 0 HA SER B 39 -11.242 -10.845 -3.378 1.00 0.00 H new ATOM 0 HB2 SER B 39 -12.852 -11.473 -5.186 1.00 0.00 H new ATOM 0 HB3 SER B 39 -13.583 -10.450 -3.965 1.00 0.00 H new ATOM 0 HG SER B 39 -13.590 -8.732 -5.342 1.00 0.00 H new ATOM 1547 N GLN B 40 -10.186 -9.267 -6.059 1.00 0.00 N ATOM 1548 CA GLN B 40 -9.191 -9.290 -7.111 1.00 0.00 C ATOM 1549 C GLN B 40 -7.964 -8.491 -6.702 1.00 0.00 C ATOM 1550 O GLN B 40 -7.239 -8.000 -7.563 1.00 0.00 O ATOM 1551 CB GLN B 40 -9.744 -8.747 -8.441 1.00 0.00 C ATOM 1552 CG GLN B 40 -11.270 -8.917 -8.523 1.00 0.00 C ATOM 1553 CD GLN B 40 -11.627 -10.394 -8.707 1.00 0.00 C ATOM 1554 OE1 GLN B 40 -11.083 -11.061 -9.588 1.00 0.00 O ATOM 1555 NE2 GLN B 40 -12.512 -10.947 -7.928 1.00 0.00 N ATOM 0 H GLN B 40 -10.701 -8.390 -5.983 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.912 -10.333 -7.264 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -9.488 -7.692 -8.540 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -9.273 -9.269 -9.274 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.736 -8.533 -7.615 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.664 -8.333 -9.355 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -12.964 -10.396 -7.198 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -12.753 -11.931 -8.048 1.00 0.00 H new ATOM 1564 N SER B 41 -7.708 -8.373 -5.389 1.00 0.00 N ATOM 1565 CA SER B 41 -6.536 -7.642 -4.936 1.00 0.00 C ATOM 1566 C SER B 41 -5.293 -8.206 -5.603 1.00 0.00 C ATOM 1567 O SER B 41 -4.343 -7.487 -5.894 1.00 0.00 O ATOM 1568 CB SER B 41 -6.398 -7.774 -3.415 1.00 0.00 C ATOM 1569 OG SER B 41 -7.375 -6.971 -2.777 1.00 0.00 O ATOM 0 H SER B 41 -8.286 -8.767 -4.647 1.00 0.00 H new ATOM 0 HA SER B 41 -6.648 -6.590 -5.201 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.519 -8.816 -3.118 1.00 0.00 H new ATOM 0 HB3 SER B 41 -5.400 -7.467 -3.102 1.00 0.00 H new ATOM 0 HG SER B 41 -7.507 -7.285 -1.858 1.00 0.00 H new ATOM 1575 N ALA B 42 -5.347 -9.504 -5.847 1.00 0.00 N ATOM 1576 CA ALA B 42 -4.272 -10.230 -6.497 1.00 0.00 C ATOM 1577 C ALA B 42 -4.208 -9.902 -7.991 1.00 0.00 C ATOM 1578 O ALA B 42 -3.158 -10.037 -8.610 1.00 0.00 O ATOM 1579 CB ALA B 42 -4.534 -11.724 -6.333 1.00 0.00 C ATOM 0 H ALA B 42 -6.145 -10.088 -5.597 1.00 0.00 H new ATOM 0 HA ALA B 42 -3.325 -9.942 -6.040 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -3.736 -12.288 -6.815 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -4.565 -11.974 -5.272 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -5.488 -11.979 -6.794 1.00 0.00 H new ATOM 1585 N ASN B 43 -5.359 -9.514 -8.553 1.00 0.00 N ATOM 1586 CA ASN B 43 -5.484 -9.208 -9.974 1.00 0.00 C ATOM 1587 C ASN B 43 -4.782 -7.927 -10.368 1.00 0.00 C ATOM 1588 O ASN B 43 -3.961 -7.918 -11.278 1.00 0.00 O ATOM 1589 CB ASN B 43 -6.946 -9.066 -10.302 1.00 0.00 C ATOM 1590 CG ASN B 43 -7.172 -9.159 -11.809 1.00 0.00 C ATOM 1591 OD1 ASN B 43 -6.762 -8.192 -12.581 1.00 0.00 O flip ATOM 1592 ND2 ASN B 43 -7.726 -10.143 -12.295 1.00 0.00 N flip ATOM 0 H ASN B 43 -6.228 -9.405 -8.030 1.00 0.00 H new ATOM 0 HA ASN B 43 -5.014 -10.022 -10.526 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -7.515 -9.845 -9.795 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -7.316 -8.110 -9.932 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -8.046 -10.899 -11.690 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -7.865 -10.204 -13.304 1.00 0.00 H new ATOM 1599 N LEU B 44 -5.107 -6.844 -9.675 1.00 0.00 N ATOM 1600 CA LEU B 44 -4.488 -5.583 -9.965 1.00 0.00 C ATOM 1601 C LEU B 44 -3.073 -5.631 -9.416 1.00 0.00 C ATOM 1602 O LEU B 44 -2.164 -5.012 -9.946 1.00 0.00 O ATOM 1603 CB LEU B 44 -5.350 -4.378 -9.510 1.00 0.00 C ATOM 1604 CG LEU B 44 -5.495 -4.232 -8.006 1.00 0.00 C ATOM 1605 CD1 LEU B 44 -6.401 -5.313 -7.465 1.00 0.00 C ATOM 1606 CD2 LEU B 44 -4.153 -4.215 -7.310 1.00 0.00 C ATOM 0 H LEU B 44 -5.790 -6.825 -8.918 1.00 0.00 H new ATOM 0 HA LEU B 44 -4.418 -5.416 -11.040 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -4.911 -3.464 -9.909 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.343 -4.473 -9.949 1.00 0.00 H new ATOM 0 HG LEU B 44 -5.957 -3.267 -7.798 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -6.498 -5.199 -6.385 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -7.384 -5.230 -7.929 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -5.975 -6.291 -7.690 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.302 -4.109 -6.235 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.626 -5.147 -7.513 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.562 -3.376 -7.679 1.00 0.00 H new ATOM 1618 N LEU B 45 -2.884 -6.457 -8.385 1.00 0.00 N ATOM 1619 CA LEU B 45 -1.563 -6.676 -7.846 1.00 0.00 C ATOM 1620 C LEU B 45 -0.794 -7.357 -8.955 1.00 0.00 C ATOM 1621 O LEU B 45 0.382 -7.102 -9.188 1.00 0.00 O ATOM 1622 CB LEU B 45 -1.624 -7.592 -6.618 1.00 0.00 C ATOM 1623 CG LEU B 45 -0.274 -8.291 -6.405 1.00 0.00 C ATOM 1624 CD1 LEU B 45 0.821 -7.244 -6.222 1.00 0.00 C ATOM 1625 CD2 LEU B 45 -0.351 -9.205 -5.175 1.00 0.00 C ATOM 0 H LEU B 45 -3.628 -6.975 -7.918 1.00 0.00 H new ATOM 0 HA LEU B 45 -1.098 -5.743 -7.527 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -1.883 -7.009 -5.734 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -2.409 -8.336 -6.750 1.00 0.00 H new ATOM 0 HG LEU B 45 -0.038 -8.900 -7.278 1.00 0.00 H new ATOM 0 HD11 LEU B 45 1.779 -7.742 -6.071 1.00 0.00 H new ATOM 0 HD12 LEU B 45 0.875 -6.615 -7.111 1.00 0.00 H new ATOM 0 HD13 LEU B 45 0.592 -6.626 -5.354 1.00 0.00 H new ATOM 0 HD21 LEU B 45 0.610 -9.699 -5.028 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -0.592 -8.610 -4.294 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -1.126 -9.956 -5.328 1.00 0.00 H new ATOM 1637 N ALA B 46 -1.526 -8.203 -9.662 1.00 0.00 N ATOM 1638 CA ALA B 46 -0.972 -8.911 -10.792 1.00 0.00 C ATOM 1639 C ALA B 46 -0.584 -7.868 -11.825 1.00 0.00 C ATOM 1640 O ALA B 46 0.511 -7.898 -12.380 1.00 0.00 O ATOM 1641 CB ALA B 46 -2.010 -9.884 -11.376 1.00 0.00 C ATOM 0 H ALA B 46 -2.505 -8.412 -9.469 1.00 0.00 H new ATOM 0 HA ALA B 46 -0.105 -9.499 -10.492 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.577 -10.410 -12.227 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.302 -10.606 -10.613 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -2.888 -9.327 -11.702 1.00 0.00 H new ATOM 1647 N GLU B 47 -1.492 -6.908 -12.014 1.00 0.00 N ATOM 1648 CA GLU B 47 -1.267 -5.799 -12.921 1.00 0.00 C ATOM 1649 C GLU B 47 -0.052 -5.006 -12.460 1.00 0.00 C ATOM 1650 O GLU B 47 0.683 -4.447 -13.267 1.00 0.00 O ATOM 1651 CB GLU B 47 -2.479 -4.849 -12.931 1.00 0.00 C ATOM 1652 CG GLU B 47 -3.732 -5.524 -13.483 1.00 0.00 C ATOM 1653 CD GLU B 47 -3.481 -6.139 -14.861 1.00 0.00 C ATOM 1654 OE1 GLU B 47 -2.992 -5.435 -15.732 1.00 0.00 O ATOM 1655 OE2 GLU B 47 -3.782 -7.310 -15.023 1.00 0.00 O ATOM 0 H GLU B 47 -2.396 -6.884 -11.542 1.00 0.00 H new ATOM 0 HA GLU B 47 -1.111 -6.204 -13.921 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -2.673 -4.499 -11.917 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -2.246 -3.971 -13.533 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -4.062 -6.300 -12.792 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -4.539 -4.794 -13.551 1.00 0.00 H new ATOM 1662 N ALA B 48 0.123 -4.951 -11.139 1.00 0.00 N ATOM 1663 CA ALA B 48 1.210 -4.215 -10.527 1.00 0.00 C ATOM 1664 C ALA B 48 2.532 -4.905 -10.731 1.00 0.00 C ATOM 1665 O ALA B 48 3.498 -4.293 -11.151 1.00 0.00 O ATOM 1666 CB ALA B 48 0.949 -4.160 -9.034 1.00 0.00 C ATOM 0 H ALA B 48 -0.489 -5.418 -10.470 1.00 0.00 H new ATOM 0 HA ALA B 48 1.257 -3.225 -10.981 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.753 -3.610 -8.544 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.000 -3.657 -8.849 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.906 -5.173 -8.635 1.00 0.00 H new ATOM 1672 N LYS B 49 2.551 -6.192 -10.449 1.00 0.00 N ATOM 1673 CA LYS B 49 3.750 -6.976 -10.617 1.00 0.00 C ATOM 1674 C LYS B 49 4.119 -6.961 -12.094 1.00 0.00 C ATOM 1675 O LYS B 49 5.295 -6.902 -12.456 1.00 0.00 O ATOM 1676 CB LYS B 49 3.504 -8.380 -10.060 1.00 0.00 C ATOM 1677 CG LYS B 49 3.533 -8.341 -8.529 1.00 0.00 C ATOM 1678 CD LYS B 49 3.521 -9.774 -7.976 1.00 0.00 C ATOM 1679 CE LYS B 49 2.146 -10.422 -8.194 1.00 0.00 C ATOM 1680 NZ LYS B 49 1.621 -10.919 -6.892 1.00 0.00 N ATOM 0 H LYS B 49 1.747 -6.715 -10.102 1.00 0.00 H new ATOM 0 HA LYS B 49 4.595 -6.565 -10.065 1.00 0.00 H new ATOM 0 HB2 LYS B 49 2.541 -8.755 -10.406 1.00 0.00 H new ATOM 0 HB3 LYS B 49 4.265 -9.067 -10.430 1.00 0.00 H new ATOM 0 HG2 LYS B 49 4.424 -7.815 -8.186 1.00 0.00 H new ATOM 0 HG3 LYS B 49 2.672 -7.788 -8.153 1.00 0.00 H new ATOM 0 HD2 LYS B 49 4.291 -10.367 -8.469 1.00 0.00 H new ATOM 0 HD3 LYS B 49 3.760 -9.762 -6.913 1.00 0.00 H new ATOM 0 HE2 LYS B 49 1.455 -9.698 -8.625 1.00 0.00 H new ATOM 0 HE3 LYS B 49 2.228 -11.245 -8.904 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 0.584 -10.978 -6.936 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 2.014 -11.862 -6.697 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 1.899 -10.264 -6.133 1.00 0.00 H new ATOM 1694 N LYS B 50 3.081 -6.926 -12.932 1.00 0.00 N ATOM 1695 CA LYS B 50 3.252 -6.818 -14.374 1.00 0.00 C ATOM 1696 C LYS B 50 3.736 -5.425 -14.744 1.00 0.00 C ATOM 1697 O LYS B 50 4.566 -5.272 -15.630 1.00 0.00 O ATOM 1698 CB LYS B 50 1.939 -7.093 -15.096 1.00 0.00 C ATOM 1699 CG LYS B 50 1.666 -8.605 -15.137 1.00 0.00 C ATOM 1700 CD LYS B 50 0.521 -8.908 -16.114 1.00 0.00 C ATOM 1701 CE LYS B 50 -0.802 -8.346 -15.578 1.00 0.00 C ATOM 1702 NZ LYS B 50 -1.936 -8.954 -16.326 1.00 0.00 N ATOM 0 H LYS B 50 2.108 -6.972 -12.629 1.00 0.00 H new ATOM 0 HA LYS B 50 3.992 -7.558 -14.679 1.00 0.00 H new ATOM 0 HB2 LYS B 50 1.121 -6.582 -14.588 1.00 0.00 H new ATOM 0 HB3 LYS B 50 1.982 -6.696 -16.110 1.00 0.00 H new ATOM 0 HG2 LYS B 50 2.567 -9.137 -15.444 1.00 0.00 H new ATOM 0 HG3 LYS B 50 1.408 -8.963 -14.140 1.00 0.00 H new ATOM 0 HD2 LYS B 50 0.741 -8.472 -17.088 1.00 0.00 H new ATOM 0 HD3 LYS B 50 0.434 -9.985 -16.259 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -0.897 -8.561 -14.514 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -0.820 -7.262 -15.687 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -2.828 -8.513 -16.023 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -1.802 -8.800 -17.346 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -1.972 -9.975 -16.132 1.00 0.00 H new ATOM 1716 N LEU B 51 3.202 -4.411 -14.062 1.00 0.00 N ATOM 1717 CA LEU B 51 3.598 -3.030 -14.337 1.00 0.00 C ATOM 1718 C LEU B 51 5.024 -2.827 -13.911 1.00 0.00 C ATOM 1719 O LEU B 51 5.820 -2.207 -14.615 1.00 0.00 O ATOM 1720 CB LEU B 51 2.692 -2.045 -13.591 1.00 0.00 C ATOM 1721 CG LEU B 51 1.800 -1.315 -14.591 1.00 0.00 C ATOM 1722 CD1 LEU B 51 2.667 -0.376 -15.444 1.00 0.00 C ATOM 1723 CD2 LEU B 51 1.063 -2.339 -15.481 1.00 0.00 C ATOM 0 H LEU B 51 2.504 -4.517 -13.326 1.00 0.00 H new ATOM 0 HA LEU B 51 3.501 -2.845 -15.407 1.00 0.00 H new ATOM 0 HB2 LEU B 51 2.080 -2.577 -12.863 1.00 0.00 H new ATOM 0 HB3 LEU B 51 3.296 -1.328 -13.036 1.00 0.00 H new ATOM 0 HG LEU B 51 1.053 -0.725 -14.061 1.00 0.00 H new ATOM 0 HD11 LEU B 51 2.037 0.150 -16.161 1.00 0.00 H new ATOM 0 HD12 LEU B 51 3.163 0.348 -14.798 1.00 0.00 H new ATOM 0 HD13 LEU B 51 3.417 -0.959 -15.979 1.00 0.00 H new ATOM 0 HD21 LEU B 51 0.428 -1.812 -16.193 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.792 -2.942 -16.022 1.00 0.00 H new ATOM 0 HD23 LEU B 51 0.448 -2.987 -14.857 1.00 0.00 H new ATOM 1735 N ASN B 52 5.340 -3.403 -12.772 1.00 0.00 N ATOM 1736 CA ASN B 52 6.689 -3.347 -12.260 1.00 0.00 C ATOM 1737 C ASN B 52 7.570 -4.031 -13.271 1.00 0.00 C ATOM 1738 O ASN B 52 8.666 -3.571 -13.583 1.00 0.00 O ATOM 1739 CB ASN B 52 6.771 -4.055 -10.913 1.00 0.00 C ATOM 1740 CG ASN B 52 8.221 -4.164 -10.456 1.00 0.00 C ATOM 1741 OD1 ASN B 52 8.697 -3.356 -9.661 1.00 0.00 O ATOM 1742 ND2 ASN B 52 8.955 -5.121 -10.930 1.00 0.00 N ATOM 0 H ASN B 52 4.681 -3.914 -12.184 1.00 0.00 H new ATOM 0 HA ASN B 52 7.007 -2.316 -12.107 1.00 0.00 H new ATOM 0 HB2 ASN B 52 6.190 -3.507 -10.171 1.00 0.00 H new ATOM 0 HB3 ASN B 52 6.332 -5.050 -10.991 1.00 0.00 H new ATOM 0 HD21 ASN B 52 9.930 -5.205 -10.644 1.00 0.00 H new ATOM 0 HD22 ASN B 52 8.557 -5.790 -11.589 1.00 0.00 H new ATOM 1749 N ASP B 53 7.032 -5.120 -13.808 1.00 0.00 N ATOM 1750 CA ASP B 53 7.729 -5.875 -14.840 1.00 0.00 C ATOM 1751 C ASP B 53 7.827 -5.023 -16.106 1.00 0.00 C ATOM 1752 O ASP B 53 8.819 -5.072 -16.834 1.00 0.00 O ATOM 1753 CB ASP B 53 6.987 -7.178 -15.153 1.00 0.00 C ATOM 1754 CG ASP B 53 7.852 -8.073 -16.038 1.00 0.00 C ATOM 1755 OD1 ASP B 53 8.676 -8.791 -15.498 1.00 0.00 O ATOM 1756 OD2 ASP B 53 7.681 -8.022 -17.246 1.00 0.00 O ATOM 0 H ASP B 53 6.121 -5.497 -13.547 1.00 0.00 H new ATOM 0 HA ASP B 53 8.727 -6.125 -14.481 1.00 0.00 H new ATOM 0 HB2 ASP B 53 6.741 -7.697 -14.227 1.00 0.00 H new ATOM 0 HB3 ASP B 53 6.045 -6.958 -15.655 1.00 0.00 H new ATOM 1761 N ALA B 54 6.769 -4.243 -16.345 1.00 0.00 N ATOM 1762 CA ALA B 54 6.690 -3.367 -17.507 1.00 0.00 C ATOM 1763 C ALA B 54 7.746 -2.270 -17.425 1.00 0.00 C ATOM 1764 O ALA B 54 8.351 -1.900 -18.432 1.00 0.00 O ATOM 1765 CB ALA B 54 5.294 -2.744 -17.570 1.00 0.00 C ATOM 0 H ALA B 54 5.949 -4.204 -15.739 1.00 0.00 H new ATOM 0 HA ALA B 54 6.874 -3.952 -18.408 1.00 0.00 H new ATOM 0 HB1 ALA B 54 5.228 -2.087 -18.437 1.00 0.00 H new ATOM 0 HB2 ALA B 54 4.547 -3.533 -17.654 1.00 0.00 H new ATOM 0 HB3 ALA B 54 5.112 -2.167 -16.663 1.00 0.00 H new ATOM 1771 N GLN B 55 7.958 -1.759 -16.211 1.00 0.00 N ATOM 1772 CA GLN B 55 8.939 -0.705 -15.979 1.00 0.00 C ATOM 1773 C GLN B 55 10.300 -1.288 -15.602 1.00 0.00 C ATOM 1774 O GLN B 55 11.280 -0.552 -15.462 1.00 0.00 O ATOM 1775 CB GLN B 55 8.438 0.184 -14.859 1.00 0.00 C ATOM 1776 CG GLN B 55 7.164 0.908 -15.293 1.00 0.00 C ATOM 1777 CD GLN B 55 6.313 1.202 -14.071 1.00 0.00 C ATOM 1778 OE1 GLN B 55 5.896 0.207 -13.340 1.00 0.00 O flip ATOM 1779 NE2 GLN B 55 6.029 2.361 -13.770 1.00 0.00 N flip ATOM 0 H GLN B 55 7.461 -2.061 -15.373 1.00 0.00 H new ATOM 0 HA GLN B 55 9.064 -0.131 -16.897 1.00 0.00 H new ATOM 0 HB2 GLN B 55 8.240 -0.415 -13.970 1.00 0.00 H new ATOM 0 HB3 GLN B 55 9.205 0.911 -14.590 1.00 0.00 H new ATOM 0 HG2 GLN B 55 7.416 1.836 -15.806 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.606 0.294 -16.000 1.00 0.00 H new ATOM 0 HE21 GLN B 55 6.360 3.134 -14.348 1.00 0.00 H new ATOM 0 HE22 GLN B 55 5.463 2.549 -12.943 1.00 0.00 H new ATOM 1788 N ALA B 56 10.352 -2.610 -15.431 1.00 0.00 N ATOM 1789 CA ALA B 56 11.599 -3.284 -15.060 1.00 0.00 C ATOM 1790 C ALA B 56 12.632 -3.181 -16.171 1.00 0.00 C ATOM 1791 O ALA B 56 12.303 -2.853 -17.313 1.00 0.00 O ATOM 1792 CB ALA B 56 11.350 -4.761 -14.756 1.00 0.00 C ATOM 0 H ALA B 56 9.552 -3.232 -15.542 1.00 0.00 H new ATOM 0 HA ALA B 56 11.979 -2.786 -14.168 1.00 0.00 H new ATOM 0 HB1 ALA B 56 12.290 -5.240 -14.483 1.00 0.00 H new ATOM 0 HB2 ALA B 56 10.645 -4.848 -13.929 1.00 0.00 H new ATOM 0 HB3 ALA B 56 10.937 -5.249 -15.638 1.00 0.00 H new