USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 504 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 HIS : no HD1:sc= -2.57! C(o=-2.9!,f=-7.2!) USER MOD Set 1.2: A 46 SER OG : rot 180:sc= -0.338 USER MOD Set 2.1: A 20 HIS : no HD1:sc= 0.571 K(o=1.4,f=-2.2) USER MOD Set 2.2: A 61 TYR OH : rot 180:sc= 0.783 USER MOD Set 3.1: A 15 HIS : no HD1:sc= -2.56 X(o=-2.6,f=-2.6) USER MOD Set 3.2: A 33 LYS NZ :NH3+ -161:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 165:sc= 1.11 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 10:sc= 0.694 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -153:sc= -1.54 (180deg=-1.7!) USER MOD Single : A 12 MET CE :methyl 178:sc= 0 (180deg=-0.0102) USER MOD Single : A 13 MET CE :methyl 164:sc= -6.16! (180deg=-7.47!) USER MOD Single : A 19 ASN : amide:sc= -0.704 X(o=-0.7,f=-0.88) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.0681 X(o=-0.068,f=0) USER MOD Single : A 30 TYR OH : rot 2:sc= 2.58! USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -2.03! C(o=-2!,f=-3.1!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -1.25 K(o=-1.3,f=-4.7!) USER MOD Single : A 54 TYR OH : rot 153:sc= 1.18 USER MOD Single : A 58 LYS NZ :NH3+ -137:sc= 0.355 (180deg=-0.52) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.541 K(o=-0.54,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -2.8! K(o=-2.8!,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.066 5.109 -6.132 1.00 0.00 N ATOM 2 CA GLY A 1 -17.327 4.417 -5.092 1.00 0.00 C ATOM 3 C GLY A 1 -15.866 4.227 -5.447 1.00 0.00 C ATOM 4 O GLY A 1 -15.017 5.032 -5.063 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.059 5.214 -5.841 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.649 6.049 -6.287 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.020 4.560 -7.014 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.401 4.980 -4.162 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.784 3.444 -4.913 1.00 0.00 H new ATOM 8 N SER A 2 -15.571 3.159 -6.182 1.00 0.00 N ATOM 9 CA SER A 2 -14.202 2.863 -6.584 1.00 0.00 C ATOM 10 C SER A 2 -14.117 2.624 -8.089 1.00 0.00 C ATOM 11 O SER A 2 -14.165 1.484 -8.551 1.00 0.00 O ATOM 12 CB SER A 2 -13.680 1.637 -5.832 1.00 0.00 C ATOM 13 OG SER A 2 -12.323 1.382 -6.151 1.00 0.00 O ATOM 0 H SER A 2 -16.262 2.485 -6.511 1.00 0.00 H new ATOM 0 HA SER A 2 -13.583 3.724 -6.334 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.781 1.795 -4.758 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.286 0.767 -6.084 1.00 0.00 H new ATOM 0 HG SER A 2 -11.943 0.763 -5.493 1.00 0.00 H new ATOM 19 N SER A 3 -13.991 3.708 -8.848 1.00 0.00 N ATOM 20 CA SER A 3 -13.904 3.618 -10.300 1.00 0.00 C ATOM 21 C SER A 3 -12.531 4.069 -10.791 1.00 0.00 C ATOM 22 O SER A 3 -12.147 5.225 -10.618 1.00 0.00 O ATOM 23 CB SER A 3 -14.996 4.469 -10.952 1.00 0.00 C ATOM 24 OG SER A 3 -16.270 3.870 -10.795 1.00 0.00 O ATOM 0 H SER A 3 -13.947 4.659 -8.481 1.00 0.00 H new ATOM 0 HA SER A 3 -14.048 2.575 -10.584 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.001 5.464 -10.507 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.778 4.596 -12.012 1.00 0.00 H new ATOM 0 HG SER A 3 -16.951 4.434 -11.218 1.00 0.00 H new ATOM 30 N GLY A 4 -11.796 3.146 -11.405 1.00 0.00 N ATOM 31 CA GLY A 4 -10.475 3.467 -11.912 1.00 0.00 C ATOM 32 C GLY A 4 -9.762 2.256 -12.478 1.00 0.00 C ATOM 33 O GLY A 4 -9.423 1.327 -11.745 1.00 0.00 O ATOM 0 H GLY A 4 -12.092 2.182 -11.560 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.562 4.229 -12.687 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.875 3.896 -11.109 1.00 0.00 H new ATOM 37 N SER A 5 -9.534 2.263 -13.788 1.00 0.00 N ATOM 38 CA SER A 5 -8.861 1.154 -14.453 1.00 0.00 C ATOM 39 C SER A 5 -9.402 -0.184 -13.960 1.00 0.00 C ATOM 40 O SER A 5 -8.642 -1.121 -13.713 1.00 0.00 O ATOM 41 CB SER A 5 -7.352 1.227 -14.213 1.00 0.00 C ATOM 42 OG SER A 5 -7.047 1.077 -12.837 1.00 0.00 O ATOM 0 H SER A 5 -9.806 3.025 -14.409 1.00 0.00 H new ATOM 0 HA SER A 5 -9.055 1.233 -15.523 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.851 0.447 -14.787 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.969 2.183 -14.572 1.00 0.00 H new ATOM 0 HG SER A 5 -7.853 0.804 -12.351 1.00 0.00 H new ATOM 48 N SER A 6 -10.721 -0.266 -13.818 1.00 0.00 N ATOM 49 CA SER A 6 -11.366 -1.488 -13.350 1.00 0.00 C ATOM 50 C SER A 6 -10.830 -1.895 -11.981 1.00 0.00 C ATOM 51 O SER A 6 -10.520 -3.061 -11.744 1.00 0.00 O ATOM 52 CB SER A 6 -11.146 -2.622 -14.353 1.00 0.00 C ATOM 53 OG SER A 6 -12.174 -3.592 -14.259 1.00 0.00 O ATOM 0 H SER A 6 -11.364 0.499 -14.020 1.00 0.00 H new ATOM 0 HA SER A 6 -12.435 -1.294 -13.260 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.116 -2.216 -15.364 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.180 -3.092 -14.169 1.00 0.00 H new ATOM 0 HG SER A 6 -12.011 -4.305 -14.911 1.00 0.00 H new ATOM 59 N GLY A 7 -10.723 -0.921 -11.081 1.00 0.00 N ATOM 60 CA GLY A 7 -10.224 -1.196 -9.746 1.00 0.00 C ATOM 61 C GLY A 7 -8.730 -1.450 -9.726 1.00 0.00 C ATOM 62 O GLY A 7 -8.041 -1.229 -10.723 1.00 0.00 O ATOM 0 H GLY A 7 -10.973 0.053 -11.253 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.455 -0.353 -9.095 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.742 -2.064 -9.339 1.00 0.00 H new ATOM 66 N LYS A 8 -8.225 -1.914 -8.588 1.00 0.00 N ATOM 67 CA LYS A 8 -6.803 -2.197 -8.441 1.00 0.00 C ATOM 68 C LYS A 8 -6.507 -3.664 -8.738 1.00 0.00 C ATOM 69 O LYS A 8 -7.356 -4.540 -8.572 1.00 0.00 O ATOM 70 CB LYS A 8 -6.336 -1.848 -7.026 1.00 0.00 C ATOM 71 CG LYS A 8 -6.359 -0.359 -6.728 1.00 0.00 C ATOM 72 CD LYS A 8 -5.148 0.346 -7.316 1.00 0.00 C ATOM 73 CE LYS A 8 -4.011 0.435 -6.309 1.00 0.00 C ATOM 74 NZ LYS A 8 -3.092 -0.732 -6.408 1.00 0.00 N ATOM 0 H LYS A 8 -8.780 -2.102 -7.753 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.260 -1.582 -9.158 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.970 -2.364 -6.305 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.322 -2.223 -6.884 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.270 0.080 -7.135 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.384 -0.203 -5.649 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.809 -0.190 -8.203 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.430 1.349 -7.638 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.450 1.355 -6.475 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.422 0.490 -5.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.637 -0.895 -5.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.633 -1.577 -6.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.363 -0.540 -7.125 1.00 0.00 H new ATOM 88 N PRO A 9 -5.273 -3.941 -9.186 1.00 0.00 N ATOM 89 CA PRO A 9 -4.837 -5.302 -9.513 1.00 0.00 C ATOM 90 C PRO A 9 -4.689 -6.177 -8.273 1.00 0.00 C ATOM 91 O PRO A 9 -3.911 -5.866 -7.372 1.00 0.00 O ATOM 92 CB PRO A 9 -3.476 -5.087 -10.181 1.00 0.00 C ATOM 93 CG PRO A 9 -2.986 -3.791 -9.633 1.00 0.00 C ATOM 94 CD PRO A 9 -4.209 -2.947 -9.407 1.00 0.00 C ATOM 0 HA PRO A 9 -5.559 -5.821 -10.143 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.788 -5.900 -9.949 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.569 -5.048 -11.266 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.439 -3.943 -8.702 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.301 -3.307 -10.329 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.089 -2.288 -8.547 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.424 -2.313 -10.267 1.00 0.00 H new ATOM 102 N GLU A 10 -5.441 -7.273 -8.235 1.00 0.00 N ATOM 103 CA GLU A 10 -5.392 -8.192 -7.104 1.00 0.00 C ATOM 104 C GLU A 10 -4.021 -8.854 -7.000 1.00 0.00 C ATOM 105 O GLU A 10 -3.388 -8.831 -5.945 1.00 0.00 O ATOM 106 CB GLU A 10 -6.478 -9.262 -7.241 1.00 0.00 C ATOM 107 CG GLU A 10 -6.449 -9.991 -8.574 1.00 0.00 C ATOM 108 CD GLU A 10 -7.673 -10.860 -8.790 1.00 0.00 C ATOM 109 OE1 GLU A 10 -7.836 -11.850 -8.046 1.00 0.00 O ATOM 110 OE2 GLU A 10 -8.467 -10.551 -9.703 1.00 0.00 O ATOM 0 H GLU A 10 -6.090 -7.546 -8.973 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.569 -7.618 -6.194 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.364 -9.989 -6.436 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.455 -8.795 -7.113 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.379 -9.262 -9.381 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.554 -10.611 -8.625 1.00 0.00 H new ATOM 117 N TRP A 11 -3.571 -9.445 -8.101 1.00 0.00 N ATOM 118 CA TRP A 11 -2.276 -10.114 -8.133 1.00 0.00 C ATOM 119 C TRP A 11 -1.206 -9.264 -7.457 1.00 0.00 C ATOM 120 O TRP A 11 -0.445 -9.755 -6.624 1.00 0.00 O ATOM 121 CB TRP A 11 -1.869 -10.413 -9.577 1.00 0.00 C ATOM 122 CG TRP A 11 -1.652 -9.180 -10.401 1.00 0.00 C ATOM 123 CD1 TRP A 11 -2.535 -8.611 -11.273 1.00 0.00 C ATOM 124 CD2 TRP A 11 -0.474 -8.366 -10.431 1.00 0.00 C ATOM 125 NE1 TRP A 11 -1.978 -7.492 -11.843 1.00 0.00 N ATOM 126 CE2 TRP A 11 -0.714 -7.319 -11.342 1.00 0.00 C ATOM 127 CE3 TRP A 11 0.758 -8.418 -9.775 1.00 0.00 C ATOM 128 CZ2 TRP A 11 0.234 -6.337 -11.613 1.00 0.00 C ATOM 129 CZ3 TRP A 11 1.698 -7.442 -10.045 1.00 0.00 C ATOM 130 CH2 TRP A 11 1.432 -6.412 -10.957 1.00 0.00 C ATOM 0 H TRP A 11 -4.083 -9.474 -8.983 1.00 0.00 H new ATOM 0 HA TRP A 11 -2.367 -11.052 -7.586 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.954 -11.005 -9.574 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -2.641 -11.023 -10.046 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -3.526 -8.986 -11.484 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.432 -6.888 -12.528 1.00 0.00 H new ATOM 0 HE3 TRP A 11 0.972 -9.207 -9.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 0.031 -5.543 -12.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.654 -7.474 -9.544 1.00 0.00 H new ATOM 0 HH2 TRP A 11 2.187 -5.663 -11.146 1.00 0.00 H new ATOM 141 N MET A 12 -1.154 -7.987 -7.821 1.00 0.00 N ATOM 142 CA MET A 12 -0.177 -7.068 -7.248 1.00 0.00 C ATOM 143 C MET A 12 0.090 -7.404 -5.784 1.00 0.00 C ATOM 144 O MET A 12 -0.840 -7.610 -5.005 1.00 0.00 O ATOM 145 CB MET A 12 -0.670 -5.625 -7.370 1.00 0.00 C ATOM 146 CG MET A 12 -0.094 -4.886 -8.567 1.00 0.00 C ATOM 147 SD MET A 12 1.706 -4.790 -8.524 1.00 0.00 S ATOM 148 CE MET A 12 1.977 -3.184 -9.270 1.00 0.00 C ATOM 0 H MET A 12 -1.777 -7.565 -8.510 1.00 0.00 H new ATOM 0 HA MET A 12 0.755 -7.174 -7.803 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.758 -5.626 -7.443 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.412 -5.083 -6.460 1.00 0.00 H new ATOM 0 HG2 MET A 12 -0.405 -5.388 -9.483 1.00 0.00 H new ATOM 0 HG3 MET A 12 -0.507 -3.878 -8.600 1.00 0.00 H new ATOM 0 HE1 MET A 12 3.044 -2.964 -9.282 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.596 -3.188 -10.291 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.456 -2.421 -8.691 1.00 0.00 H new ATOM 158 N MET A 13 1.367 -7.457 -5.417 1.00 0.00 N ATOM 159 CA MET A 13 1.756 -7.767 -4.046 1.00 0.00 C ATOM 160 C MET A 13 2.322 -6.534 -3.350 1.00 0.00 C ATOM 161 O MET A 13 2.966 -5.695 -3.980 1.00 0.00 O ATOM 162 CB MET A 13 2.788 -8.896 -4.029 1.00 0.00 C ATOM 163 CG MET A 13 2.609 -9.900 -5.157 1.00 0.00 C ATOM 164 SD MET A 13 1.592 -11.310 -4.677 1.00 0.00 S ATOM 165 CE MET A 13 0.166 -10.478 -3.982 1.00 0.00 C ATOM 0 H MET A 13 2.149 -7.289 -6.050 1.00 0.00 H new ATOM 0 HA MET A 13 0.866 -8.090 -3.506 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.787 -8.465 -4.092 1.00 0.00 H new ATOM 0 HB3 MET A 13 2.726 -9.419 -3.075 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.152 -9.402 -6.012 1.00 0.00 H new ATOM 0 HG3 MET A 13 3.587 -10.256 -5.480 1.00 0.00 H new ATOM 0 HE1 MET A 13 -0.663 -11.182 -3.902 1.00 0.00 H new ATOM 0 HE2 MET A 13 0.414 -10.096 -2.992 1.00 0.00 H new ATOM 0 HE3 MET A 13 -0.123 -9.649 -4.629 1.00 0.00 H new ATOM 175 N ILE A 14 2.078 -6.431 -2.048 1.00 0.00 N ATOM 176 CA ILE A 14 2.565 -5.301 -1.267 1.00 0.00 C ATOM 177 C ILE A 14 3.746 -5.705 -0.392 1.00 0.00 C ATOM 178 O ILE A 14 3.569 -6.141 0.747 1.00 0.00 O ATOM 179 CB ILE A 14 1.455 -4.714 -0.374 1.00 0.00 C ATOM 180 CG1 ILE A 14 0.379 -4.047 -1.232 1.00 0.00 C ATOM 181 CG2 ILE A 14 2.043 -3.720 0.616 1.00 0.00 C ATOM 182 CD1 ILE A 14 -0.777 -3.494 -0.429 1.00 0.00 C ATOM 0 H ILE A 14 1.546 -7.116 -1.512 1.00 0.00 H new ATOM 0 HA ILE A 14 2.887 -4.541 -1.979 1.00 0.00 H new ATOM 0 HB ILE A 14 0.993 -5.526 0.187 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.832 -3.238 -1.805 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.002 -4.772 -1.951 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.247 -3.314 1.240 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.776 -4.224 1.246 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.528 -2.909 0.073 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.501 -3.036 -1.102 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.256 -4.302 0.124 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.408 -2.745 0.271 1.00 0.00 H new ATOM 194 N HIS A 15 4.952 -5.557 -0.930 1.00 0.00 N ATOM 195 CA HIS A 15 6.164 -5.905 -0.197 1.00 0.00 C ATOM 196 C HIS A 15 6.032 -5.537 1.278 1.00 0.00 C ATOM 197 O HIS A 15 6.060 -6.407 2.149 1.00 0.00 O ATOM 198 CB HIS A 15 7.375 -5.195 -0.804 1.00 0.00 C ATOM 199 CG HIS A 15 8.687 -5.725 -0.316 1.00 0.00 C ATOM 200 ND1 HIS A 15 9.725 -6.059 -1.160 1.00 0.00 N ATOM 201 CD2 HIS A 15 9.129 -5.977 0.939 1.00 0.00 C ATOM 202 CE1 HIS A 15 10.748 -6.495 -0.446 1.00 0.00 C ATOM 203 NE2 HIS A 15 10.412 -6.454 0.831 1.00 0.00 N ATOM 0 H HIS A 15 5.116 -5.199 -1.871 1.00 0.00 H new ATOM 0 HA HIS A 15 6.307 -6.983 -0.274 1.00 0.00 H new ATOM 0 HB2 HIS A 15 7.335 -5.290 -1.889 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.314 -4.131 -0.575 1.00 0.00 H new ATOM 0 HD2 HIS A 15 8.575 -5.830 1.855 1.00 0.00 H new ATOM 0 HE1 HIS A 15 11.697 -6.828 -0.839 1.00 0.00 H new ATOM 0 HE2 HIS A 15 11.009 -6.732 1.610 1.00 0.00 H new ATOM 212 N ARG A 16 5.887 -4.245 1.550 1.00 0.00 N ATOM 213 CA ARG A 16 5.752 -3.762 2.919 1.00 0.00 C ATOM 214 C ARG A 16 5.480 -2.261 2.943 1.00 0.00 C ATOM 215 O ARG A 16 5.940 -1.524 2.071 1.00 0.00 O ATOM 216 CB ARG A 16 7.018 -4.075 3.720 1.00 0.00 C ATOM 217 CG ARG A 16 8.243 -3.311 3.244 1.00 0.00 C ATOM 218 CD ARG A 16 9.250 -3.119 4.367 1.00 0.00 C ATOM 219 NE ARG A 16 8.864 -2.038 5.270 1.00 0.00 N ATOM 220 CZ ARG A 16 9.650 -1.568 6.232 1.00 0.00 C ATOM 221 NH1 ARG A 16 10.859 -2.080 6.415 1.00 0.00 N ATOM 222 NH2 ARG A 16 9.227 -0.582 7.014 1.00 0.00 N ATOM 0 H ARG A 16 5.860 -3.513 0.840 1.00 0.00 H new ATOM 0 HA ARG A 16 4.905 -4.274 3.376 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.840 -3.843 4.770 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.221 -5.144 3.660 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.712 -3.850 2.421 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.939 -2.339 2.856 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.344 -4.047 4.932 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.230 -2.903 3.942 1.00 0.00 H new ATOM 0 HE ARG A 16 7.940 -1.621 5.156 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.188 -2.837 5.816 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.460 -1.717 7.155 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.298 -0.185 6.876 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.831 -0.222 7.753 1.00 0.00 H new ATOM 236 N ILE A 17 4.730 -1.817 3.945 1.00 0.00 N ATOM 237 CA ILE A 17 4.397 -0.404 4.082 1.00 0.00 C ATOM 238 C ILE A 17 5.636 0.424 4.405 1.00 0.00 C ATOM 239 O ILE A 17 6.028 0.548 5.566 1.00 0.00 O ATOM 240 CB ILE A 17 3.342 -0.178 5.180 1.00 0.00 C ATOM 241 CG1 ILE A 17 1.971 -0.669 4.710 1.00 0.00 C ATOM 242 CG2 ILE A 17 3.281 1.294 5.561 1.00 0.00 C ATOM 243 CD1 ILE A 17 0.951 -0.769 5.822 1.00 0.00 C ATOM 0 H ILE A 17 4.341 -2.415 4.674 1.00 0.00 H new ATOM 0 HA ILE A 17 3.987 -0.082 3.124 1.00 0.00 H new ATOM 0 HB ILE A 17 3.629 -0.750 6.062 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.595 0.008 3.943 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.085 -1.647 4.243 1.00 0.00 H new ATOM 0 HG21 ILE A 17 2.531 1.438 6.338 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.254 1.614 5.933 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.014 1.886 4.685 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.003 -1.123 5.416 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.305 -1.469 6.579 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.808 0.213 6.274 1.00 0.00 H new ATOM 255 N LEU A 18 6.249 0.990 3.371 1.00 0.00 N ATOM 256 CA LEU A 18 7.444 1.808 3.544 1.00 0.00 C ATOM 257 C LEU A 18 7.198 2.924 4.555 1.00 0.00 C ATOM 258 O LEU A 18 7.972 3.105 5.495 1.00 0.00 O ATOM 259 CB LEU A 18 7.876 2.405 2.204 1.00 0.00 C ATOM 260 CG LEU A 18 8.064 1.413 1.056 1.00 0.00 C ATOM 261 CD1 LEU A 18 8.511 2.134 -0.206 1.00 0.00 C ATOM 262 CD2 LEU A 18 9.068 0.336 1.441 1.00 0.00 C ATOM 0 H LEU A 18 5.938 0.897 2.404 1.00 0.00 H new ATOM 0 HA LEU A 18 8.241 1.168 3.923 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.133 3.143 1.902 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.814 2.940 2.353 1.00 0.00 H new ATOM 0 HG LEU A 18 7.106 0.934 0.855 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.639 1.411 -1.012 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.757 2.867 -0.493 1.00 0.00 H new ATOM 0 HD13 LEU A 18 9.458 2.641 -0.019 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.189 -0.361 0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.028 0.799 1.670 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.707 -0.202 2.318 1.00 0.00 H new ATOM 274 N ASN A 19 6.114 3.667 4.357 1.00 0.00 N ATOM 275 CA ASN A 19 5.765 4.763 5.252 1.00 0.00 C ATOM 276 C ASN A 19 4.342 5.247 4.992 1.00 0.00 C ATOM 277 O ASN A 19 3.634 4.699 4.146 1.00 0.00 O ATOM 278 CB ASN A 19 6.749 5.923 5.080 1.00 0.00 C ATOM 279 CG ASN A 19 6.923 6.727 6.354 1.00 0.00 C ATOM 280 OD1 ASN A 19 7.222 6.176 7.414 1.00 0.00 O ATOM 281 ND2 ASN A 19 6.736 8.038 6.256 1.00 0.00 N ATOM 0 H ASN A 19 5.462 3.530 3.584 1.00 0.00 H new ATOM 0 HA ASN A 19 5.823 4.394 6.276 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.716 5.532 4.766 1.00 0.00 H new ATOM 0 HB3 ASN A 19 6.397 6.580 4.284 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.839 8.631 7.080 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.489 8.452 5.357 1.00 0.00 H new ATOM 288 N HIS A 20 3.929 6.276 5.723 1.00 0.00 N ATOM 289 CA HIS A 20 2.590 6.835 5.571 1.00 0.00 C ATOM 290 C HIS A 20 2.639 8.359 5.519 1.00 0.00 C ATOM 291 O HIS A 20 3.516 8.982 6.119 1.00 0.00 O ATOM 292 CB HIS A 20 1.690 6.381 6.721 1.00 0.00 C ATOM 293 CG HIS A 20 1.900 7.154 7.986 1.00 0.00 C ATOM 294 ND1 HIS A 20 2.835 6.805 8.936 1.00 0.00 N ATOM 295 CD2 HIS A 20 1.288 8.268 8.454 1.00 0.00 C ATOM 296 CE1 HIS A 20 2.789 7.668 9.935 1.00 0.00 C ATOM 297 NE2 HIS A 20 1.859 8.566 9.667 1.00 0.00 N ATOM 0 H HIS A 20 4.502 6.741 6.427 1.00 0.00 H new ATOM 0 HA HIS A 20 2.177 6.470 4.631 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.648 6.476 6.415 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.870 5.324 6.917 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.498 8.819 7.965 1.00 0.00 H new ATOM 0 HE1 HIS A 20 3.407 7.643 10.820 1.00 0.00 H new ATOM 0 HE2 HIS A 20 1.606 9.353 10.264 1.00 0.00 H new ATOM 306 N SER A 21 1.693 8.953 4.799 1.00 0.00 N ATOM 307 CA SER A 21 1.632 10.404 4.665 1.00 0.00 C ATOM 308 C SER A 21 0.217 10.858 4.320 1.00 0.00 C ATOM 309 O SER A 21 -0.349 10.449 3.307 1.00 0.00 O ATOM 310 CB SER A 21 2.610 10.880 3.589 1.00 0.00 C ATOM 311 OG SER A 21 2.355 12.227 3.229 1.00 0.00 O ATOM 0 H SER A 21 0.958 8.452 4.299 1.00 0.00 H new ATOM 0 HA SER A 21 1.913 10.845 5.621 1.00 0.00 H new ATOM 0 HB2 SER A 21 3.632 10.785 3.955 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.526 10.243 2.709 1.00 0.00 H new ATOM 0 HG SER A 21 2.994 12.508 2.541 1.00 0.00 H new ATOM 317 N VAL A 22 -0.349 11.708 5.172 1.00 0.00 N ATOM 318 CA VAL A 22 -1.697 12.220 4.958 1.00 0.00 C ATOM 319 C VAL A 22 -1.664 13.618 4.350 1.00 0.00 C ATOM 320 O VAL A 22 -1.142 14.556 4.953 1.00 0.00 O ATOM 321 CB VAL A 22 -2.497 12.263 6.273 1.00 0.00 C ATOM 322 CG1 VAL A 22 -1.624 12.769 7.412 1.00 0.00 C ATOM 323 CG2 VAL A 22 -3.737 13.130 6.115 1.00 0.00 C ATOM 0 H VAL A 22 0.105 12.056 6.016 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.188 11.537 4.265 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.819 11.250 6.515 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.206 12.793 8.333 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.770 12.104 7.539 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.270 13.774 7.180 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.290 13.149 7.054 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.440 14.144 5.848 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.371 12.719 5.329 1.00 0.00 H new ATOM 333 N ASP A 23 -2.225 13.750 3.153 1.00 0.00 N ATOM 334 CA ASP A 23 -2.261 15.035 2.464 1.00 0.00 C ATOM 335 C ASP A 23 -3.143 16.029 3.213 1.00 0.00 C ATOM 336 O ASP A 23 -4.073 15.641 3.920 1.00 0.00 O ATOM 337 CB ASP A 23 -2.774 14.856 1.034 1.00 0.00 C ATOM 338 CG ASP A 23 -1.657 14.572 0.049 1.00 0.00 C ATOM 339 OD1 ASP A 23 -0.636 15.291 0.086 1.00 0.00 O ATOM 340 OD2 ASP A 23 -1.803 13.630 -0.757 1.00 0.00 O ATOM 0 H ASP A 23 -2.661 12.984 2.640 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.246 15.431 2.431 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.493 14.037 1.009 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.305 15.757 0.726 1.00 0.00 H new ATOM 345 N LYS A 24 -2.843 17.314 3.055 1.00 0.00 N ATOM 346 CA LYS A 24 -3.608 18.365 3.715 1.00 0.00 C ATOM 347 C LYS A 24 -5.100 18.048 3.694 1.00 0.00 C ATOM 348 O LYS A 24 -5.835 18.408 4.613 1.00 0.00 O ATOM 349 CB LYS A 24 -3.352 19.713 3.037 1.00 0.00 C ATOM 350 CG LYS A 24 -3.804 20.905 3.863 1.00 0.00 C ATOM 351 CD LYS A 24 -2.827 21.208 4.987 1.00 0.00 C ATOM 352 CE LYS A 24 -3.448 22.120 6.034 1.00 0.00 C ATOM 353 NZ LYS A 24 -2.667 22.119 7.302 1.00 0.00 N ATOM 0 H LYS A 24 -2.075 17.652 2.475 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.281 18.420 4.753 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.286 19.809 2.829 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.867 19.731 2.077 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.901 21.779 3.219 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.791 20.706 4.281 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.510 20.277 5.456 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.933 21.679 4.577 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.505 23.136 5.643 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.470 21.798 6.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.122 22.752 7.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.634 21.154 7.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.699 22.450 7.114 1.00 0.00 H new ATOM 367 N LYS A 25 -5.541 17.372 2.638 1.00 0.00 N ATOM 368 CA LYS A 25 -6.945 17.004 2.498 1.00 0.00 C ATOM 369 C LYS A 25 -7.425 16.216 3.712 1.00 0.00 C ATOM 370 O LYS A 25 -8.499 16.481 4.251 1.00 0.00 O ATOM 371 CB LYS A 25 -7.151 16.177 1.226 1.00 0.00 C ATOM 372 CG LYS A 25 -6.815 16.930 -0.050 1.00 0.00 C ATOM 373 CD LYS A 25 -8.015 17.701 -0.575 1.00 0.00 C ATOM 374 CE LYS A 25 -7.633 18.601 -1.740 1.00 0.00 C ATOM 375 NZ LYS A 25 -8.777 19.441 -2.190 1.00 0.00 N ATOM 0 H LYS A 25 -4.946 17.068 1.867 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.530 17.921 2.428 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.534 15.280 1.282 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.189 15.848 1.181 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.993 17.620 0.139 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.473 16.227 -0.809 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.788 17.001 -0.893 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.441 18.304 0.227 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.804 19.244 -1.445 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.282 17.990 -2.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.476 20.040 -2.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.559 18.827 -2.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.096 20.043 -1.404 1.00 0.00 H new ATOM 389 N GLY A 26 -6.622 15.246 4.139 1.00 0.00 N ATOM 390 CA GLY A 26 -6.982 14.436 5.288 1.00 0.00 C ATOM 391 C GLY A 26 -6.866 12.951 5.009 1.00 0.00 C ATOM 392 O GLY A 26 -6.694 12.151 5.929 1.00 0.00 O ATOM 0 H GLY A 26 -5.728 15.007 3.709 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.338 14.696 6.128 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.004 14.668 5.586 1.00 0.00 H new ATOM 396 N HIS A 27 -6.963 12.580 3.737 1.00 0.00 N ATOM 397 CA HIS A 27 -6.870 11.179 3.339 1.00 0.00 C ATOM 398 C HIS A 27 -5.460 10.643 3.569 1.00 0.00 C ATOM 399 O HIS A 27 -4.505 11.080 2.926 1.00 0.00 O ATOM 400 CB HIS A 27 -7.256 11.018 1.869 1.00 0.00 C ATOM 401 CG HIS A 27 -8.720 11.196 1.611 1.00 0.00 C ATOM 402 ND1 HIS A 27 -9.474 10.290 0.895 1.00 0.00 N ATOM 403 CD2 HIS A 27 -9.571 12.182 1.980 1.00 0.00 C ATOM 404 CE1 HIS A 27 -10.724 10.712 0.833 1.00 0.00 C ATOM 405 NE2 HIS A 27 -10.810 11.858 1.484 1.00 0.00 N ATOM 0 H HIS A 27 -7.106 13.229 2.964 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.563 10.605 3.953 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -6.700 11.743 1.274 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.953 10.028 1.529 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -9.322 13.060 2.557 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.538 10.206 0.335 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -11.659 12.412 1.600 1.00 0.00 H new ATOM 414 N VAL A 28 -5.337 9.693 4.491 1.00 0.00 N ATOM 415 CA VAL A 28 -4.044 9.096 4.806 1.00 0.00 C ATOM 416 C VAL A 28 -3.562 8.198 3.672 1.00 0.00 C ATOM 417 O VAL A 28 -4.327 7.399 3.130 1.00 0.00 O ATOM 418 CB VAL A 28 -4.107 8.273 6.106 1.00 0.00 C ATOM 419 CG1 VAL A 28 -2.788 7.556 6.349 1.00 0.00 C ATOM 420 CG2 VAL A 28 -4.463 9.166 7.285 1.00 0.00 C ATOM 0 H VAL A 28 -6.117 9.320 5.033 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.340 9.918 4.939 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.888 7.520 6.001 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.852 6.980 7.272 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.580 6.885 5.516 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.986 8.289 6.434 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.503 8.568 8.195 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.706 9.943 7.394 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.435 9.628 7.111 1.00 0.00 H new ATOM 430 N HIS A 29 -2.289 8.334 3.316 1.00 0.00 N ATOM 431 CA HIS A 29 -1.704 7.534 2.247 1.00 0.00 C ATOM 432 C HIS A 29 -0.599 6.630 2.786 1.00 0.00 C ATOM 433 O HIS A 29 0.094 6.983 3.741 1.00 0.00 O ATOM 434 CB HIS A 29 -1.146 8.441 1.149 1.00 0.00 C ATOM 435 CG HIS A 29 -2.184 9.306 0.503 1.00 0.00 C ATOM 436 ND1 HIS A 29 -3.522 9.248 0.830 1.00 0.00 N ATOM 437 CD2 HIS A 29 -2.073 10.255 -0.456 1.00 0.00 C ATOM 438 CE1 HIS A 29 -4.190 10.123 0.099 1.00 0.00 C ATOM 439 NE2 HIS A 29 -3.334 10.748 -0.689 1.00 0.00 N ATOM 0 H HIS A 29 -1.643 8.991 3.753 1.00 0.00 H new ATOM 0 HA HIS A 29 -2.489 6.906 1.826 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -0.369 9.076 1.574 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.672 7.824 0.385 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -1.163 10.567 -0.947 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -5.255 10.297 0.139 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -3.571 11.478 -1.361 1.00 0.00 H new ATOM 448 N TYR A 30 -0.441 5.465 2.169 1.00 0.00 N ATOM 449 CA TYR A 30 0.577 4.509 2.589 1.00 0.00 C ATOM 450 C TYR A 30 1.512 4.166 1.434 1.00 0.00 C ATOM 451 O TYR A 30 1.084 3.625 0.413 1.00 0.00 O ATOM 452 CB TYR A 30 -0.079 3.235 3.125 1.00 0.00 C ATOM 453 CG TYR A 30 -0.911 3.459 4.368 1.00 0.00 C ATOM 454 CD1 TYR A 30 -0.326 3.452 5.628 1.00 0.00 C ATOM 455 CD2 TYR A 30 -2.280 3.676 4.282 1.00 0.00 C ATOM 456 CE1 TYR A 30 -1.081 3.656 6.767 1.00 0.00 C ATOM 457 CE2 TYR A 30 -3.043 3.881 5.415 1.00 0.00 C ATOM 458 CZ TYR A 30 -2.439 3.870 6.655 1.00 0.00 C ATOM 459 OH TYR A 30 -3.196 4.073 7.787 1.00 0.00 O ATOM 0 H TYR A 30 -1.005 5.159 1.376 1.00 0.00 H new ATOM 0 HA TYR A 30 1.164 4.969 3.384 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.711 2.807 2.347 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.697 2.502 3.345 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.737 3.284 5.719 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.756 3.685 3.313 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.611 3.648 7.739 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.107 4.049 5.330 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.614 4.065 8.575 1.00 0.00 H new ATOM 469 N LEU A 31 2.791 4.483 1.602 1.00 0.00 N ATOM 470 CA LEU A 31 3.789 4.208 0.575 1.00 0.00 C ATOM 471 C LEU A 31 3.937 2.708 0.346 1.00 0.00 C ATOM 472 O LEU A 31 4.719 2.041 1.023 1.00 0.00 O ATOM 473 CB LEU A 31 5.138 4.810 0.972 1.00 0.00 C ATOM 474 CG LEU A 31 6.287 4.593 -0.014 1.00 0.00 C ATOM 475 CD1 LEU A 31 5.834 4.892 -1.435 1.00 0.00 C ATOM 476 CD2 LEU A 31 7.481 5.458 0.361 1.00 0.00 C ATOM 0 H LEU A 31 3.161 4.931 2.440 1.00 0.00 H new ATOM 0 HA LEU A 31 3.452 4.667 -0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.006 5.883 1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.430 4.393 1.936 1.00 0.00 H new ATOM 0 HG LEU A 31 6.591 3.548 0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.664 4.732 -2.123 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.010 4.230 -1.701 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.503 5.928 -1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.289 5.291 -0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.190 6.508 0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.820 5.195 1.363 1.00 0.00 H new ATOM 488 N ILE A 32 3.181 2.183 -0.613 1.00 0.00 N ATOM 489 CA ILE A 32 3.231 0.762 -0.933 1.00 0.00 C ATOM 490 C ILE A 32 4.437 0.437 -1.807 1.00 0.00 C ATOM 491 O ILE A 32 4.675 1.090 -2.824 1.00 0.00 O ATOM 492 CB ILE A 32 1.950 0.302 -1.654 1.00 0.00 C ATOM 493 CG1 ILE A 32 0.729 0.511 -0.755 1.00 0.00 C ATOM 494 CG2 ILE A 32 2.068 -1.158 -2.064 1.00 0.00 C ATOM 495 CD1 ILE A 32 -0.580 0.152 -1.421 1.00 0.00 C ATOM 0 H ILE A 32 2.527 2.721 -1.182 1.00 0.00 H new ATOM 0 HA ILE A 32 3.317 0.229 0.014 1.00 0.00 H new ATOM 0 HB ILE A 32 1.822 0.903 -2.554 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.845 -0.090 0.147 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.693 1.554 -0.441 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.155 -1.468 -2.572 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.917 -1.280 -2.737 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.217 -1.774 -1.177 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.401 0.325 -0.726 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.719 0.771 -2.308 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.565 -0.899 -1.710 1.00 0.00 H new ATOM 507 N LYS A 33 5.195 -0.578 -1.406 1.00 0.00 N ATOM 508 CA LYS A 33 6.376 -0.993 -2.153 1.00 0.00 C ATOM 509 C LYS A 33 6.121 -2.305 -2.888 1.00 0.00 C ATOM 510 O LYS A 33 6.213 -3.384 -2.303 1.00 0.00 O ATOM 511 CB LYS A 33 7.572 -1.149 -1.211 1.00 0.00 C ATOM 512 CG LYS A 33 8.829 -1.651 -1.902 1.00 0.00 C ATOM 513 CD LYS A 33 9.754 -2.362 -0.928 1.00 0.00 C ATOM 514 CE LYS A 33 11.208 -2.248 -1.357 1.00 0.00 C ATOM 515 NZ LYS A 33 12.042 -3.343 -0.787 1.00 0.00 N ATOM 0 H LYS A 33 5.012 -1.129 -0.567 1.00 0.00 H new ATOM 0 HA LYS A 33 6.599 -0.221 -2.889 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.784 -0.187 -0.744 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.306 -1.840 -0.411 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.555 -2.332 -2.708 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.355 -0.812 -2.358 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.633 -1.936 0.068 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.475 -3.413 -0.861 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.269 -2.274 -2.445 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.606 -1.285 -1.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.045 -3.070 -0.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 11.764 -3.513 0.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 11.900 -4.212 -1.341 1.00 0.00 H new ATOM 529 N TRP A 34 5.801 -2.205 -4.174 1.00 0.00 N ATOM 530 CA TRP A 34 5.534 -3.384 -4.989 1.00 0.00 C ATOM 531 C TRP A 34 6.729 -4.332 -4.983 1.00 0.00 C ATOM 532 O TRP A 34 7.765 -4.043 -5.581 1.00 0.00 O ATOM 533 CB TRP A 34 5.202 -2.973 -6.424 1.00 0.00 C ATOM 534 CG TRP A 34 4.168 -1.890 -6.507 1.00 0.00 C ATOM 535 CD1 TRP A 34 4.353 -0.613 -6.953 1.00 0.00 C ATOM 536 CD2 TRP A 34 2.790 -1.990 -6.132 1.00 0.00 C ATOM 537 NE1 TRP A 34 3.173 0.087 -6.878 1.00 0.00 N ATOM 538 CE2 TRP A 34 2.199 -0.736 -6.378 1.00 0.00 C ATOM 539 CE3 TRP A 34 1.998 -3.018 -5.614 1.00 0.00 C ATOM 540 CZ2 TRP A 34 0.854 -0.484 -6.122 1.00 0.00 C ATOM 541 CZ3 TRP A 34 0.663 -2.767 -5.360 1.00 0.00 C ATOM 542 CH2 TRP A 34 0.101 -1.508 -5.615 1.00 0.00 C ATOM 0 H TRP A 34 5.720 -1.320 -4.674 1.00 0.00 H new ATOM 0 HA TRP A 34 4.678 -3.905 -4.560 1.00 0.00 H new ATOM 0 HB2 TRP A 34 6.113 -2.634 -6.918 1.00 0.00 H new ATOM 0 HB3 TRP A 34 4.848 -3.846 -6.972 1.00 0.00 H new ATOM 0 HD1 TRP A 34 5.289 -0.212 -7.312 1.00 0.00 H new ATOM 0 HE1 TRP A 34 3.043 1.061 -7.150 1.00 0.00 H new ATOM 0 HE3 TRP A 34 2.422 -3.991 -5.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 0.420 0.486 -6.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 0.042 -3.554 -4.958 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -0.946 -1.343 -5.407 1.00 0.00 H new ATOM 553 N ARG A 35 6.577 -5.464 -4.304 1.00 0.00 N ATOM 554 CA ARG A 35 7.644 -6.454 -4.220 1.00 0.00 C ATOM 555 C ARG A 35 8.448 -6.497 -5.516 1.00 0.00 C ATOM 556 O ARG A 35 9.648 -6.220 -5.523 1.00 0.00 O ATOM 557 CB ARG A 35 7.064 -7.837 -3.921 1.00 0.00 C ATOM 558 CG ARG A 35 6.581 -7.999 -2.489 1.00 0.00 C ATOM 559 CD ARG A 35 6.224 -9.444 -2.181 1.00 0.00 C ATOM 560 NE ARG A 35 6.296 -9.733 -0.751 1.00 0.00 N ATOM 561 CZ ARG A 35 5.668 -10.753 -0.175 1.00 0.00 C ATOM 562 NH1 ARG A 35 4.927 -11.577 -0.903 1.00 0.00 N ATOM 563 NH2 ARG A 35 5.783 -10.951 1.132 1.00 0.00 N ATOM 0 H ARG A 35 5.725 -5.719 -3.804 1.00 0.00 H new ATOM 0 HA ARG A 35 8.311 -6.165 -3.408 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.232 -8.027 -4.600 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.823 -8.592 -4.127 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.357 -7.660 -1.802 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.710 -7.365 -2.324 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.217 -9.654 -2.543 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.901 -10.107 -2.719 1.00 0.00 H new ATOM 0 HE ARG A 35 6.859 -9.119 -0.163 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.838 -11.429 -1.908 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.446 -12.359 -0.458 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.354 -10.320 1.695 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.301 -11.734 1.574 1.00 0.00 H new ATOM 577 N ASP A 36 7.780 -6.847 -6.609 1.00 0.00 N ATOM 578 CA ASP A 36 8.432 -6.926 -7.911 1.00 0.00 C ATOM 579 C ASP A 36 9.321 -5.709 -8.149 1.00 0.00 C ATOM 580 O ASP A 36 10.508 -5.843 -8.451 1.00 0.00 O ATOM 581 CB ASP A 36 7.387 -7.035 -9.023 1.00 0.00 C ATOM 582 CG ASP A 36 7.994 -7.449 -10.349 1.00 0.00 C ATOM 583 OD1 ASP A 36 8.471 -8.599 -10.451 1.00 0.00 O ATOM 584 OD2 ASP A 36 7.991 -6.623 -11.286 1.00 0.00 O ATOM 0 H ASP A 36 6.787 -7.081 -6.620 1.00 0.00 H new ATOM 0 HA ASP A 36 9.058 -7.818 -7.922 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.626 -7.760 -8.733 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.884 -6.075 -9.141 1.00 0.00 H new ATOM 589 N LEU A 37 8.740 -4.523 -8.012 1.00 0.00 N ATOM 590 CA LEU A 37 9.478 -3.281 -8.213 1.00 0.00 C ATOM 591 C LEU A 37 10.353 -2.966 -7.004 1.00 0.00 C ATOM 592 O LEU A 37 10.031 -3.312 -5.867 1.00 0.00 O ATOM 593 CB LEU A 37 8.511 -2.125 -8.472 1.00 0.00 C ATOM 594 CG LEU A 37 7.558 -2.300 -9.655 1.00 0.00 C ATOM 595 CD1 LEU A 37 6.524 -1.184 -9.677 1.00 0.00 C ATOM 596 CD2 LEU A 37 8.333 -2.337 -10.964 1.00 0.00 C ATOM 0 H LEU A 37 7.759 -4.395 -7.762 1.00 0.00 H new ATOM 0 HA LEU A 37 10.123 -3.408 -9.082 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.916 -1.967 -7.572 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.095 -1.218 -8.632 1.00 0.00 H new ATOM 0 HG LEU A 37 7.036 -3.250 -9.538 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.855 -1.325 -10.526 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.947 -1.204 -8.752 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.029 -0.222 -9.769 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.638 -2.462 -11.795 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.883 -1.404 -11.088 1.00 0.00 H new ATOM 0 HD23 LEU A 37 9.034 -3.172 -10.948 1.00 0.00 H new ATOM 608 N PRO A 38 11.485 -2.291 -7.252 1.00 0.00 N ATOM 609 CA PRO A 38 12.428 -1.912 -6.195 1.00 0.00 C ATOM 610 C PRO A 38 11.868 -0.829 -5.280 1.00 0.00 C ATOM 611 O PRO A 38 10.668 -0.552 -5.292 1.00 0.00 O ATOM 612 CB PRO A 38 13.637 -1.383 -6.972 1.00 0.00 C ATOM 613 CG PRO A 38 13.079 -0.923 -8.274 1.00 0.00 C ATOM 614 CD PRO A 38 11.932 -1.846 -8.582 1.00 0.00 C ATOM 0 HA PRO A 38 12.660 -2.749 -5.536 1.00 0.00 H new ATOM 0 HB2 PRO A 38 14.123 -0.566 -6.439 1.00 0.00 H new ATOM 0 HB3 PRO A 38 14.387 -2.161 -7.115 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.741 0.111 -8.210 1.00 0.00 H new ATOM 0 HG3 PRO A 38 13.834 -0.964 -9.059 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.137 -1.332 -9.122 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.247 -2.686 -9.202 1.00 0.00 H new ATOM 622 N TYR A 39 12.743 -0.220 -4.487 1.00 0.00 N ATOM 623 CA TYR A 39 12.335 0.832 -3.564 1.00 0.00 C ATOM 624 C TYR A 39 12.243 2.177 -4.277 1.00 0.00 C ATOM 625 O TYR A 39 11.346 2.976 -4.006 1.00 0.00 O ATOM 626 CB TYR A 39 13.320 0.926 -2.398 1.00 0.00 C ATOM 627 CG TYR A 39 12.901 1.910 -1.329 1.00 0.00 C ATOM 628 CD1 TYR A 39 11.847 1.625 -0.469 1.00 0.00 C ATOM 629 CD2 TYR A 39 13.558 3.125 -1.178 1.00 0.00 C ATOM 630 CE1 TYR A 39 11.460 2.520 0.508 1.00 0.00 C ATOM 631 CE2 TYR A 39 13.179 4.026 -0.203 1.00 0.00 C ATOM 632 CZ TYR A 39 12.129 3.719 0.638 1.00 0.00 C ATOM 633 OH TYR A 39 11.747 4.615 1.610 1.00 0.00 O ATOM 0 H TYR A 39 13.739 -0.437 -4.465 1.00 0.00 H new ATOM 0 HA TYR A 39 11.348 0.579 -3.177 1.00 0.00 H new ATOM 0 HB2 TYR A 39 13.432 -0.060 -1.948 1.00 0.00 H new ATOM 0 HB3 TYR A 39 14.298 1.215 -2.782 1.00 0.00 H new ATOM 0 HD1 TYR A 39 11.321 0.687 -0.567 1.00 0.00 H new ATOM 0 HD2 TYR A 39 14.380 3.369 -1.835 1.00 0.00 H new ATOM 0 HE1 TYR A 39 10.638 2.283 1.167 1.00 0.00 H new ATOM 0 HE2 TYR A 39 13.701 4.966 -0.099 1.00 0.00 H new ATOM 0 HH TYR A 39 12.321 5.408 1.567 1.00 0.00 H new ATOM 643 N ASP A 40 13.177 2.421 -5.189 1.00 0.00 N ATOM 644 CA ASP A 40 13.202 3.668 -5.944 1.00 0.00 C ATOM 645 C ASP A 40 12.014 3.751 -6.897 1.00 0.00 C ATOM 646 O ASP A 40 11.692 4.823 -7.410 1.00 0.00 O ATOM 647 CB ASP A 40 14.510 3.789 -6.728 1.00 0.00 C ATOM 648 CG ASP A 40 15.608 4.456 -5.923 1.00 0.00 C ATOM 649 OD1 ASP A 40 15.595 5.700 -5.820 1.00 0.00 O ATOM 650 OD2 ASP A 40 16.480 3.733 -5.397 1.00 0.00 O ATOM 0 H ASP A 40 13.927 1.771 -5.424 1.00 0.00 H new ATOM 0 HA ASP A 40 13.135 4.494 -5.235 1.00 0.00 H new ATOM 0 HB2 ASP A 40 14.840 2.796 -7.034 1.00 0.00 H new ATOM 0 HB3 ASP A 40 14.333 4.361 -7.639 1.00 0.00 H new ATOM 655 N GLN A 41 11.368 2.613 -7.129 1.00 0.00 N ATOM 656 CA GLN A 41 10.216 2.558 -8.022 1.00 0.00 C ATOM 657 C GLN A 41 8.912 2.582 -7.231 1.00 0.00 C ATOM 658 O GLN A 41 7.838 2.788 -7.794 1.00 0.00 O ATOM 659 CB GLN A 41 10.277 1.299 -8.889 1.00 0.00 C ATOM 660 CG GLN A 41 11.055 1.487 -10.181 1.00 0.00 C ATOM 661 CD GLN A 41 10.629 0.517 -11.266 1.00 0.00 C ATOM 662 OE1 GLN A 41 9.479 0.527 -11.706 1.00 0.00 O ATOM 663 NE2 GLN A 41 11.556 -0.327 -11.703 1.00 0.00 N ATOM 0 H GLN A 41 11.622 1.718 -6.712 1.00 0.00 H new ATOM 0 HA GLN A 41 10.245 3.437 -8.666 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.734 0.494 -8.314 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.262 0.984 -9.129 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.918 2.508 -10.538 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.119 1.359 -9.982 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.497 -0.300 -11.310 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.328 -1.003 -12.432 1.00 0.00 H new ATOM 672 N ALA A 42 9.015 2.371 -5.923 1.00 0.00 N ATOM 673 CA ALA A 42 7.844 2.371 -5.055 1.00 0.00 C ATOM 674 C ALA A 42 6.940 3.562 -5.353 1.00 0.00 C ATOM 675 O ALA A 42 7.410 4.626 -5.756 1.00 0.00 O ATOM 676 CB ALA A 42 8.270 2.382 -3.595 1.00 0.00 C ATOM 0 H ALA A 42 9.897 2.198 -5.441 1.00 0.00 H new ATOM 0 HA ALA A 42 7.277 1.460 -5.250 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.386 2.382 -2.958 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.869 1.496 -3.384 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.861 3.276 -3.395 1.00 0.00 H new ATOM 682 N SER A 43 5.639 3.375 -5.153 1.00 0.00 N ATOM 683 CA SER A 43 4.668 4.434 -5.405 1.00 0.00 C ATOM 684 C SER A 43 3.754 4.631 -4.199 1.00 0.00 C ATOM 685 O SER A 43 3.574 3.722 -3.388 1.00 0.00 O ATOM 686 CB SER A 43 3.832 4.104 -6.644 1.00 0.00 C ATOM 687 OG SER A 43 4.445 4.602 -7.820 1.00 0.00 O ATOM 0 H SER A 43 5.233 2.501 -4.818 1.00 0.00 H new ATOM 0 HA SER A 43 5.215 5.361 -5.580 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.706 3.024 -6.725 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.836 4.534 -6.539 1.00 0.00 H new ATOM 0 HG SER A 43 3.892 4.377 -8.597 1.00 0.00 H new ATOM 693 N TRP A 44 3.181 5.824 -4.089 1.00 0.00 N ATOM 694 CA TRP A 44 2.286 6.141 -2.982 1.00 0.00 C ATOM 695 C TRP A 44 0.852 5.737 -3.307 1.00 0.00 C ATOM 696 O TRP A 44 0.383 5.932 -4.428 1.00 0.00 O ATOM 697 CB TRP A 44 2.347 7.636 -2.662 1.00 0.00 C ATOM 698 CG TRP A 44 3.462 7.999 -1.728 1.00 0.00 C ATOM 699 CD1 TRP A 44 4.659 8.566 -2.062 1.00 0.00 C ATOM 700 CD2 TRP A 44 3.483 7.817 -0.308 1.00 0.00 C ATOM 701 NE1 TRP A 44 5.423 8.748 -0.934 1.00 0.00 N ATOM 702 CE2 TRP A 44 4.724 8.297 0.154 1.00 0.00 C ATOM 703 CE3 TRP A 44 2.575 7.297 0.618 1.00 0.00 C ATOM 704 CZ2 TRP A 44 5.077 8.271 1.501 1.00 0.00 C ATOM 705 CZ3 TRP A 44 2.927 7.271 1.954 1.00 0.00 C ATOM 706 CH2 TRP A 44 4.168 7.756 2.385 1.00 0.00 C ATOM 0 H TRP A 44 3.320 6.587 -4.752 1.00 0.00 H new ATOM 0 HA TRP A 44 2.614 5.575 -2.110 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.464 8.194 -3.591 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.399 7.945 -2.222 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.961 8.832 -3.064 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.359 9.153 -0.911 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.615 6.922 0.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 6.034 8.644 1.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.233 6.870 2.678 1.00 0.00 H new ATOM 0 HH2 TRP A 44 4.413 7.723 3.436 1.00 0.00 H new ATOM 717 N GLU A 45 0.162 5.174 -2.321 1.00 0.00 N ATOM 718 CA GLU A 45 -1.218 4.742 -2.505 1.00 0.00 C ATOM 719 C GLU A 45 -2.074 5.126 -1.301 1.00 0.00 C ATOM 720 O GLU A 45 -1.784 4.736 -0.170 1.00 0.00 O ATOM 721 CB GLU A 45 -1.278 3.229 -2.724 1.00 0.00 C ATOM 722 CG GLU A 45 -0.472 2.755 -3.922 1.00 0.00 C ATOM 723 CD GLU A 45 -1.062 3.215 -5.241 1.00 0.00 C ATOM 724 OE1 GLU A 45 -2.074 3.946 -5.216 1.00 0.00 O ATOM 725 OE2 GLU A 45 -0.511 2.845 -6.299 1.00 0.00 O ATOM 0 H GLU A 45 0.536 5.006 -1.387 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.614 5.246 -3.387 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.912 2.726 -1.829 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.318 2.930 -2.855 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.550 3.125 -3.837 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.419 1.666 -3.912 1.00 0.00 H new ATOM 732 N SER A 46 -3.129 5.894 -1.553 1.00 0.00 N ATOM 733 CA SER A 46 -4.025 6.335 -0.491 1.00 0.00 C ATOM 734 C SER A 46 -4.432 5.164 0.398 1.00 0.00 C ATOM 735 O SER A 46 -4.110 4.012 0.110 1.00 0.00 O ATOM 736 CB SER A 46 -5.270 6.996 -1.086 1.00 0.00 C ATOM 737 OG SER A 46 -6.194 7.349 -0.071 1.00 0.00 O ATOM 0 H SER A 46 -3.384 6.224 -2.484 1.00 0.00 H new ATOM 0 HA SER A 46 -3.493 7.064 0.120 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.981 7.886 -1.645 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.744 6.315 -1.793 1.00 0.00 H new ATOM 0 HG SER A 46 -6.980 7.771 -0.477 1.00 0.00 H new ATOM 743 N GLU A 47 -5.144 5.468 1.479 1.00 0.00 N ATOM 744 CA GLU A 47 -5.595 4.441 2.410 1.00 0.00 C ATOM 745 C GLU A 47 -6.935 3.859 1.971 1.00 0.00 C ATOM 746 O GLU A 47 -7.489 2.981 2.632 1.00 0.00 O ATOM 747 CB GLU A 47 -5.715 5.018 3.822 1.00 0.00 C ATOM 748 CG GLU A 47 -6.809 6.063 3.962 1.00 0.00 C ATOM 749 CD GLU A 47 -7.240 6.268 5.401 1.00 0.00 C ATOM 750 OE1 GLU A 47 -7.170 5.299 6.185 1.00 0.00 O ATOM 751 OE2 GLU A 47 -7.646 7.398 5.743 1.00 0.00 O ATOM 0 H GLU A 47 -5.421 6.417 1.731 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.855 3.641 2.414 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.909 4.205 4.522 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.761 5.463 4.106 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.456 7.010 3.554 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.672 5.762 3.368 1.00 0.00 H new ATOM 758 N ASP A 48 -7.451 4.356 0.852 1.00 0.00 N ATOM 759 CA ASP A 48 -8.726 3.886 0.323 1.00 0.00 C ATOM 760 C ASP A 48 -8.512 2.813 -0.739 1.00 0.00 C ATOM 761 O ASP A 48 -9.401 2.006 -1.010 1.00 0.00 O ATOM 762 CB ASP A 48 -9.520 5.054 -0.266 1.00 0.00 C ATOM 763 CG ASP A 48 -10.902 4.639 -0.729 1.00 0.00 C ATOM 764 OD1 ASP A 48 -10.995 3.728 -1.578 1.00 0.00 O ATOM 765 OD2 ASP A 48 -11.892 5.226 -0.243 1.00 0.00 O ATOM 0 H ASP A 48 -7.006 5.084 0.294 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.293 3.449 1.145 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.612 5.841 0.482 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.970 5.476 -1.107 1.00 0.00 H new ATOM 770 N VAL A 49 -7.326 2.810 -1.339 1.00 0.00 N ATOM 771 CA VAL A 49 -6.994 1.837 -2.373 1.00 0.00 C ATOM 772 C VAL A 49 -7.293 0.416 -1.906 1.00 0.00 C ATOM 773 O VAL A 49 -6.989 0.049 -0.772 1.00 0.00 O ATOM 774 CB VAL A 49 -5.511 1.931 -2.777 1.00 0.00 C ATOM 775 CG1 VAL A 49 -5.265 3.169 -3.625 1.00 0.00 C ATOM 776 CG2 VAL A 49 -4.622 1.935 -1.542 1.00 0.00 C ATOM 0 H VAL A 49 -6.579 3.471 -1.127 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.614 2.071 -3.239 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.259 1.055 -3.375 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.212 3.218 -3.901 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.874 3.119 -4.527 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.533 4.059 -3.056 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.577 2.002 -1.846 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.873 2.791 -0.916 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.778 1.015 -0.979 1.00 0.00 H new ATOM 786 N GLU A 50 -7.891 -0.377 -2.789 1.00 0.00 N ATOM 787 CA GLU A 50 -8.232 -1.758 -2.467 1.00 0.00 C ATOM 788 C GLU A 50 -7.205 -2.723 -3.053 1.00 0.00 C ATOM 789 O GLU A 50 -7.232 -3.024 -4.247 1.00 0.00 O ATOM 790 CB GLU A 50 -9.627 -2.098 -2.994 1.00 0.00 C ATOM 791 CG GLU A 50 -9.704 -2.174 -4.510 1.00 0.00 C ATOM 792 CD GLU A 50 -11.114 -1.981 -5.033 1.00 0.00 C ATOM 793 OE1 GLU A 50 -11.521 -0.816 -5.221 1.00 0.00 O ATOM 794 OE2 GLU A 50 -11.809 -2.994 -5.254 1.00 0.00 O ATOM 0 H GLU A 50 -8.149 -0.087 -3.732 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.226 -1.863 -1.382 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.942 -3.054 -2.574 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.333 -1.347 -2.640 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.053 -1.414 -4.942 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.327 -3.142 -4.841 1.00 0.00 H new ATOM 801 N ILE A 51 -6.302 -3.203 -2.205 1.00 0.00 N ATOM 802 CA ILE A 51 -5.267 -4.134 -2.638 1.00 0.00 C ATOM 803 C ILE A 51 -5.320 -5.428 -1.833 1.00 0.00 C ATOM 804 O ILE A 51 -5.767 -5.438 -0.687 1.00 0.00 O ATOM 805 CB ILE A 51 -3.863 -3.516 -2.505 1.00 0.00 C ATOM 806 CG1 ILE A 51 -3.822 -2.139 -3.171 1.00 0.00 C ATOM 807 CG2 ILE A 51 -2.818 -4.437 -3.117 1.00 0.00 C ATOM 808 CD1 ILE A 51 -2.792 -1.208 -2.571 1.00 0.00 C ATOM 0 H ILE A 51 -6.266 -2.963 -1.214 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.460 -4.354 -3.688 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.636 -3.394 -1.446 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.612 -2.264 -4.233 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.806 -1.677 -3.093 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.831 -3.986 -3.015 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.833 -5.397 -2.602 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.040 -4.588 -4.173 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.819 -0.251 -3.092 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.013 -1.053 -1.515 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.800 -1.649 -2.673 1.00 0.00 H new ATOM 820 N GLN A 52 -4.858 -6.516 -2.441 1.00 0.00 N ATOM 821 CA GLN A 52 -4.851 -7.815 -1.780 1.00 0.00 C ATOM 822 C GLN A 52 -4.239 -7.714 -0.386 1.00 0.00 C ATOM 823 O GLN A 52 -3.108 -7.254 -0.227 1.00 0.00 O ATOM 824 CB GLN A 52 -4.076 -8.833 -2.617 1.00 0.00 C ATOM 825 CG GLN A 52 -4.564 -10.262 -2.443 1.00 0.00 C ATOM 826 CD GLN A 52 -5.938 -10.487 -3.043 1.00 0.00 C ATOM 827 OE1 GLN A 52 -6.899 -9.800 -2.697 1.00 0.00 O ATOM 828 NE2 GLN A 52 -6.037 -11.453 -3.949 1.00 0.00 N ATOM 0 H GLN A 52 -4.484 -6.523 -3.390 1.00 0.00 H new ATOM 0 HA GLN A 52 -5.884 -8.148 -1.680 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.151 -8.558 -3.669 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.021 -8.783 -2.349 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.852 -10.944 -2.908 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.591 -10.506 -1.381 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.214 -11.998 -4.206 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.936 -11.650 -4.388 1.00 0.00 H new ATOM 837 N ASP A 53 -4.993 -8.145 0.618 1.00 0.00 N ATOM 838 CA ASP A 53 -4.525 -8.103 1.999 1.00 0.00 C ATOM 839 C ASP A 53 -3.946 -6.732 2.335 1.00 0.00 C ATOM 840 O ASP A 53 -2.944 -6.627 3.043 1.00 0.00 O ATOM 841 CB ASP A 53 -3.472 -9.187 2.235 1.00 0.00 C ATOM 842 CG ASP A 53 -4.039 -10.586 2.093 1.00 0.00 C ATOM 843 OD1 ASP A 53 -4.932 -10.948 2.888 1.00 0.00 O ATOM 844 OD2 ASP A 53 -3.590 -11.319 1.188 1.00 0.00 O ATOM 0 H ASP A 53 -5.931 -8.528 0.502 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.378 -8.287 2.652 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.655 -9.056 1.526 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.050 -9.069 3.233 1.00 0.00 H new ATOM 849 N TYR A 54 -4.583 -5.685 1.823 1.00 0.00 N ATOM 850 CA TYR A 54 -4.130 -4.321 2.066 1.00 0.00 C ATOM 851 C TYR A 54 -4.317 -3.938 3.531 1.00 0.00 C ATOM 852 O TYR A 54 -3.372 -3.519 4.200 1.00 0.00 O ATOM 853 CB TYR A 54 -4.890 -3.342 1.170 1.00 0.00 C ATOM 854 CG TYR A 54 -4.381 -1.920 1.259 1.00 0.00 C ATOM 855 CD1 TYR A 54 -3.027 -1.655 1.417 1.00 0.00 C ATOM 856 CD2 TYR A 54 -5.256 -0.843 1.184 1.00 0.00 C ATOM 857 CE1 TYR A 54 -2.558 -0.358 1.499 1.00 0.00 C ATOM 858 CE2 TYR A 54 -4.796 0.457 1.263 1.00 0.00 C ATOM 859 CZ TYR A 54 -3.446 0.695 1.422 1.00 0.00 C ATOM 860 OH TYR A 54 -2.983 1.988 1.502 1.00 0.00 O ATOM 0 H TYR A 54 -5.415 -5.755 1.237 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.067 -4.270 1.829 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.821 -3.680 0.136 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -5.946 -3.359 1.441 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.329 -2.477 1.477 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.313 -1.026 1.062 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.502 -0.169 1.623 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.489 1.283 1.201 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.595 2.585 1.023 1.00 0.00 H new ATOM 870 N ASP A 55 -5.543 -4.085 4.022 1.00 0.00 N ATOM 871 CA ASP A 55 -5.855 -3.756 5.408 1.00 0.00 C ATOM 872 C ASP A 55 -4.910 -4.477 6.364 1.00 0.00 C ATOM 873 O ASP A 55 -4.491 -3.918 7.379 1.00 0.00 O ATOM 874 CB ASP A 55 -7.304 -4.126 5.728 1.00 0.00 C ATOM 875 CG ASP A 55 -7.898 -3.254 6.817 1.00 0.00 C ATOM 876 OD1 ASP A 55 -7.240 -3.082 7.863 1.00 0.00 O ATOM 877 OD2 ASP A 55 -9.022 -2.745 6.622 1.00 0.00 O ATOM 0 H ASP A 55 -6.336 -4.430 3.481 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.725 -2.682 5.539 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.907 -4.035 4.825 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.349 -5.170 6.038 1.00 0.00 H new ATOM 882 N LEU A 56 -4.580 -5.721 6.035 1.00 0.00 N ATOM 883 CA LEU A 56 -3.685 -6.520 6.865 1.00 0.00 C ATOM 884 C LEU A 56 -2.390 -5.766 7.150 1.00 0.00 C ATOM 885 O LEU A 56 -2.018 -5.565 8.307 1.00 0.00 O ATOM 886 CB LEU A 56 -3.373 -7.851 6.178 1.00 0.00 C ATOM 887 CG LEU A 56 -4.550 -8.812 6.012 1.00 0.00 C ATOM 888 CD1 LEU A 56 -4.053 -10.221 5.727 1.00 0.00 C ATOM 889 CD2 LEU A 56 -5.432 -8.796 7.252 1.00 0.00 C ATOM 0 H LEU A 56 -4.919 -6.198 5.200 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.186 -6.716 7.813 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.960 -7.640 5.192 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.594 -8.357 6.748 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.147 -8.481 5.162 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.905 -10.891 5.612 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.465 -10.221 4.809 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.432 -10.562 6.555 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.265 -9.486 7.115 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.846 -9.101 8.119 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.818 -7.789 7.411 1.00 0.00 H new ATOM 901 N PHE A 57 -1.707 -5.350 6.089 1.00 0.00 N ATOM 902 CA PHE A 57 -0.453 -4.617 6.226 1.00 0.00 C ATOM 903 C PHE A 57 -0.652 -3.350 7.052 1.00 0.00 C ATOM 904 O PHE A 57 0.013 -3.147 8.068 1.00 0.00 O ATOM 905 CB PHE A 57 0.105 -4.259 4.847 1.00 0.00 C ATOM 906 CG PHE A 57 0.836 -5.391 4.184 1.00 0.00 C ATOM 907 CD1 PHE A 57 0.156 -6.527 3.774 1.00 0.00 C ATOM 908 CD2 PHE A 57 2.203 -5.319 3.970 1.00 0.00 C ATOM 909 CE1 PHE A 57 0.826 -7.570 3.163 1.00 0.00 C ATOM 910 CE2 PHE A 57 2.878 -6.359 3.359 1.00 0.00 C ATOM 911 CZ PHE A 57 2.189 -7.487 2.956 1.00 0.00 C ATOM 0 H PHE A 57 -2.000 -5.508 5.125 1.00 0.00 H new ATOM 0 HA PHE A 57 0.260 -5.258 6.744 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.715 -3.940 4.204 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.781 -3.410 4.947 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.910 -6.598 3.934 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.747 -4.441 4.284 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.284 -8.449 2.848 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.943 -6.290 3.197 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.715 -8.302 2.480 1.00 0.00 H new ATOM 921 N LYS A 58 -1.571 -2.499 6.607 1.00 0.00 N ATOM 922 CA LYS A 58 -1.859 -1.251 7.304 1.00 0.00 C ATOM 923 C LYS A 58 -2.156 -1.507 8.778 1.00 0.00 C ATOM 924 O LYS A 58 -1.743 -0.738 9.645 1.00 0.00 O ATOM 925 CB LYS A 58 -3.045 -0.540 6.649 1.00 0.00 C ATOM 926 CG LYS A 58 -2.849 -0.268 5.168 1.00 0.00 C ATOM 927 CD LYS A 58 -4.163 -0.350 4.407 1.00 0.00 C ATOM 928 CE LYS A 58 -4.837 1.010 4.312 1.00 0.00 C ATOM 929 NZ LYS A 58 -5.335 1.476 5.636 1.00 0.00 N ATOM 0 H LYS A 58 -2.129 -2.651 5.767 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.978 -0.613 7.235 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.941 -1.147 6.783 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.220 0.405 7.163 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.411 0.721 5.034 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.143 -0.988 4.755 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.981 -0.738 3.405 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.830 -1.054 4.905 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.131 1.738 3.913 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.669 0.955 3.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.284 1.886 5.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.381 0.671 6.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.688 2.197 6.016 1.00 0.00 H new ATOM 943 N GLN A 59 -2.874 -2.591 9.053 1.00 0.00 N ATOM 944 CA GLN A 59 -3.225 -2.947 10.422 1.00 0.00 C ATOM 945 C GLN A 59 -1.979 -3.288 11.233 1.00 0.00 C ATOM 946 O GLN A 59 -1.939 -3.078 12.445 1.00 0.00 O ATOM 947 CB GLN A 59 -4.194 -4.131 10.432 1.00 0.00 C ATOM 948 CG GLN A 59 -4.484 -4.669 11.824 1.00 0.00 C ATOM 949 CD GLN A 59 -5.869 -5.275 11.938 1.00 0.00 C ATOM 950 OE1 GLN A 59 -6.863 -4.561 12.068 1.00 0.00 O ATOM 951 NE2 GLN A 59 -5.941 -6.600 11.890 1.00 0.00 N ATOM 0 H GLN A 59 -3.224 -3.238 8.346 1.00 0.00 H new ATOM 0 HA GLN A 59 -3.710 -2.086 10.881 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -5.131 -3.826 9.967 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -3.781 -4.933 9.820 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -3.739 -5.423 12.081 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -4.384 -3.862 12.550 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -5.091 -7.153 11.781 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -6.846 -7.064 11.962 1.00 0.00 H new ATOM 960 N SER A 60 -0.964 -3.815 10.555 1.00 0.00 N ATOM 961 CA SER A 60 0.282 -4.189 11.213 1.00 0.00 C ATOM 962 C SER A 60 1.152 -2.961 11.466 1.00 0.00 C ATOM 963 O SER A 60 1.355 -2.555 12.610 1.00 0.00 O ATOM 964 CB SER A 60 1.048 -5.204 10.363 1.00 0.00 C ATOM 965 OG SER A 60 2.057 -5.848 11.122 1.00 0.00 O ATOM 0 H SER A 60 -0.980 -3.992 9.551 1.00 0.00 H new ATOM 0 HA SER A 60 0.035 -4.643 12.173 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.356 -5.948 9.968 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.498 -4.700 9.507 1.00 0.00 H new ATOM 0 HG SER A 60 2.531 -6.493 10.556 1.00 0.00 H new ATOM 971 N TYR A 61 1.665 -2.376 10.389 1.00 0.00 N ATOM 972 CA TYR A 61 2.516 -1.196 10.493 1.00 0.00 C ATOM 973 C TYR A 61 2.073 -0.305 11.649 1.00 0.00 C ATOM 974 O TYR A 61 2.891 0.131 12.460 1.00 0.00 O ATOM 975 CB TYR A 61 2.488 -0.405 9.185 1.00 0.00 C ATOM 976 CG TYR A 61 3.145 0.953 9.284 1.00 0.00 C ATOM 977 CD1 TYR A 61 4.488 1.075 9.618 1.00 0.00 C ATOM 978 CD2 TYR A 61 2.422 2.116 9.044 1.00 0.00 C ATOM 979 CE1 TYR A 61 5.092 2.314 9.711 1.00 0.00 C ATOM 980 CE2 TYR A 61 3.018 3.359 9.133 1.00 0.00 C ATOM 981 CZ TYR A 61 4.353 3.452 9.467 1.00 0.00 C ATOM 982 OH TYR A 61 4.951 4.688 9.557 1.00 0.00 O ATOM 0 H TYR A 61 1.507 -2.699 9.435 1.00 0.00 H new ATOM 0 HA TYR A 61 3.535 -1.530 10.686 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.987 -0.985 8.409 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.452 -0.276 8.870 1.00 0.00 H new ATOM 0 HD1 TYR A 61 5.070 0.185 9.808 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.376 2.046 8.783 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.137 2.391 9.973 1.00 0.00 H new ATOM 0 HE2 TYR A 61 2.442 4.253 8.942 1.00 0.00 H new ATOM 0 HH TYR A 61 4.293 5.385 9.354 1.00 0.00 H new ATOM 992 N TRP A 62 0.774 -0.040 11.719 1.00 0.00 N ATOM 993 CA TRP A 62 0.220 0.799 12.776 1.00 0.00 C ATOM 994 C TRP A 62 0.613 0.271 14.151 1.00 0.00 C ATOM 995 O TRP A 62 1.303 0.949 14.912 1.00 0.00 O ATOM 996 CB TRP A 62 -1.303 0.866 12.658 1.00 0.00 C ATOM 997 CG TRP A 62 -1.778 1.885 11.668 1.00 0.00 C ATOM 998 CD1 TRP A 62 -2.676 1.691 10.657 1.00 0.00 C ATOM 999 CD2 TRP A 62 -1.379 3.258 11.593 1.00 0.00 C ATOM 1000 NE1 TRP A 62 -2.858 2.860 9.958 1.00 0.00 N ATOM 1001 CE2 TRP A 62 -2.074 3.837 10.513 1.00 0.00 C ATOM 1002 CE3 TRP A 62 -0.503 4.056 12.334 1.00 0.00 C ATOM 1003 CZ2 TRP A 62 -1.919 5.174 10.158 1.00 0.00 C ATOM 1004 CZ3 TRP A 62 -0.349 5.383 11.981 1.00 0.00 C ATOM 1005 CH2 TRP A 62 -1.055 5.931 10.901 1.00 0.00 C ATOM 0 H TRP A 62 0.084 -0.394 11.056 1.00 0.00 H new ATOM 0 HA TRP A 62 0.630 1.802 12.661 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -1.681 -0.115 12.369 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -1.726 1.095 13.636 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -3.170 0.756 10.439 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -3.477 2.981 9.156 1.00 0.00 H new ATOM 0 HE3 TRP A 62 0.044 3.643 13.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -2.461 5.598 9.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 0.326 6.008 12.546 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -0.914 6.972 10.650 1.00 0.00 H new ATOM 1016 N ASN A 63 0.170 -0.942 14.464 1.00 0.00 N ATOM 1017 CA ASN A 63 0.475 -1.560 15.749 1.00 0.00 C ATOM 1018 C ASN A 63 1.964 -1.449 16.066 1.00 0.00 C ATOM 1019 O ASN A 63 2.358 -0.780 17.021 1.00 0.00 O ATOM 1020 CB ASN A 63 0.052 -3.030 15.745 1.00 0.00 C ATOM 1021 CG ASN A 63 -1.415 -3.210 16.088 1.00 0.00 C ATOM 1022 OD1 ASN A 63 -1.760 -3.910 17.040 1.00 0.00 O ATOM 1023 ND2 ASN A 63 -2.286 -2.578 15.310 1.00 0.00 N ATOM 0 H ASN A 63 -0.402 -1.517 13.845 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.084 -1.030 16.520 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.248 -3.459 14.762 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.660 -3.582 16.461 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -3.286 -2.662 15.491 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -1.955 -2.008 14.532 1.00 0.00 H new ATOM 1030 N HIS A 64 2.786 -2.109 15.256 1.00 0.00 N ATOM 1031 CA HIS A 64 4.232 -2.084 15.449 1.00 0.00 C ATOM 1032 C HIS A 64 4.958 -2.475 14.166 1.00 0.00 C ATOM 1033 O HIS A 64 4.477 -3.311 13.400 1.00 0.00 O ATOM 1034 CB HIS A 64 4.633 -3.027 16.584 1.00 0.00 C ATOM 1035 CG HIS A 64 6.114 -3.185 16.736 1.00 0.00 C ATOM 1036 ND1 HIS A 64 6.766 -3.045 17.943 1.00 0.00 N ATOM 1037 CD2 HIS A 64 7.072 -3.474 15.824 1.00 0.00 C ATOM 1038 CE1 HIS A 64 8.061 -3.239 17.768 1.00 0.00 C ATOM 1039 NE2 HIS A 64 8.273 -3.502 16.491 1.00 0.00 N ATOM 0 H HIS A 64 2.476 -2.667 14.461 1.00 0.00 H new ATOM 0 HA HIS A 64 4.521 -1.067 15.713 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.218 -2.653 17.520 1.00 0.00 H new ATOM 0 HB3 HIS A 64 4.188 -4.006 16.406 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.921 -3.650 14.769 1.00 0.00 H new ATOM 0 HE1 HIS A 64 8.817 -3.191 18.538 1.00 0.00 H new ATOM 0 HE2 HIS A 64 9.181 -3.695 16.068 1.00 0.00 H new TER 1048 HIS A 64