USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=16 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= -1.4 K(o=-0.49,f=-4.7!) USER MOD Set 1.2: A 46 SER OG : rot -109:sc= 0.909 USER MOD Set 2.1: A 15 HIS : no HD1:sc= -2.89 K(o=-2.7,f=-2.1) USER MOD Set 2.2: A 33 LYS NZ :NH3+ -170:sc= 0.15 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.118 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 176:sc= 0 (180deg=-0.0345) USER MOD Single : A 13 MET CE :methyl 155:sc= -5.94! (180deg=-7.51!) USER MOD Single : A 19 ASN : amide:sc= -0.364 K(o=-0.36,f=-1.9!) USER MOD Single : A 20 HIS : no HD1:sc= -0.0495 X(o=-0.049,f=-0.013) 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= -0.0645 X(o=-0.065,f=-0.01) USER MOD Single : A 30 TYR OH : rot 180:sc= 0.994 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -1.4 K(o=-1.4,f=-2.1!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -2.07 K(o=-2.1,f=-1.5) USER MOD Single : A 54 TYR OH : rot 129:sc= 1.26 USER MOD Single : A 58 LYS NZ :NH3+ -144:sc= -0.319 (180deg=-2.04!) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.204 X(o=-0.2,f=-0.58) USER MOD Single : A 64 HIS : no HD1:sc= -2.31! K(o=-2.3!,f=-0.97) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.496 1.889 1.805 1.00 0.00 N ATOM 2 CA GLY A 1 -18.553 1.385 0.824 1.00 0.00 C ATOM 3 C GLY A 1 -17.436 2.369 0.534 1.00 0.00 C ATOM 4 O GLY A 1 -16.921 3.019 1.443 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.239 1.180 1.968 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.999 2.081 2.698 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.927 2.768 1.453 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.125 0.449 1.184 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.083 1.158 -0.101 1.00 0.00 H new ATOM 8 N SER A 2 -17.060 2.477 -0.736 1.00 0.00 N ATOM 9 CA SER A 2 -15.993 3.385 -1.143 1.00 0.00 C ATOM 10 C SER A 2 -16.337 4.070 -2.462 1.00 0.00 C ATOM 11 O SER A 2 -17.212 3.617 -3.200 1.00 0.00 O ATOM 12 CB SER A 2 -14.672 2.625 -1.278 1.00 0.00 C ATOM 13 OG SER A 2 -14.351 1.943 -0.078 1.00 0.00 O ATOM 0 H SER A 2 -17.478 1.947 -1.501 1.00 0.00 H new ATOM 0 HA SER A 2 -15.886 4.150 -0.374 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.742 1.911 -2.098 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.872 3.322 -1.529 1.00 0.00 H new ATOM 0 HG SER A 2 -13.504 1.464 -0.191 1.00 0.00 H new ATOM 19 N SER A 3 -15.640 5.164 -2.752 1.00 0.00 N ATOM 20 CA SER A 3 -15.873 5.915 -3.980 1.00 0.00 C ATOM 21 C SER A 3 -14.811 5.588 -5.026 1.00 0.00 C ATOM 22 O SER A 3 -13.671 5.269 -4.691 1.00 0.00 O ATOM 23 CB SER A 3 -15.874 7.418 -3.691 1.00 0.00 C ATOM 24 OG SER A 3 -16.469 8.141 -4.755 1.00 0.00 O ATOM 0 H SER A 3 -14.910 5.550 -2.154 1.00 0.00 H new ATOM 0 HA SER A 3 -16.848 5.627 -4.374 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.417 7.613 -2.766 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.851 7.763 -3.540 1.00 0.00 H new ATOM 0 HG SER A 3 -16.459 9.098 -4.546 1.00 0.00 H new ATOM 30 N GLY A 4 -15.196 5.670 -6.296 1.00 0.00 N ATOM 31 CA GLY A 4 -14.267 5.379 -7.373 1.00 0.00 C ATOM 32 C GLY A 4 -14.551 4.048 -8.040 1.00 0.00 C ATOM 33 O GLY A 4 -15.179 3.171 -7.448 1.00 0.00 O ATOM 0 H GLY A 4 -16.134 5.933 -6.598 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.319 6.173 -8.118 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.250 5.376 -6.981 1.00 0.00 H new ATOM 37 N SER A 5 -14.087 3.897 -9.276 1.00 0.00 N ATOM 38 CA SER A 5 -14.299 2.665 -10.027 1.00 0.00 C ATOM 39 C SER A 5 -12.985 1.915 -10.222 1.00 0.00 C ATOM 40 O SER A 5 -12.873 0.737 -9.882 1.00 0.00 O ATOM 41 CB SER A 5 -14.931 2.973 -11.386 1.00 0.00 C ATOM 42 OG SER A 5 -14.124 3.867 -12.133 1.00 0.00 O ATOM 0 H SER A 5 -13.562 4.612 -9.779 1.00 0.00 H new ATOM 0 HA SER A 5 -14.977 2.032 -9.455 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.067 2.047 -11.945 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.921 3.406 -11.241 1.00 0.00 H new ATOM 0 HG SER A 5 -14.549 4.046 -12.998 1.00 0.00 H new ATOM 48 N SER A 6 -11.993 2.607 -10.773 1.00 0.00 N ATOM 49 CA SER A 6 -10.687 2.006 -11.018 1.00 0.00 C ATOM 50 C SER A 6 -10.288 1.084 -9.870 1.00 0.00 C ATOM 51 O SER A 6 -10.116 1.526 -8.735 1.00 0.00 O ATOM 52 CB SER A 6 -9.628 3.095 -11.204 1.00 0.00 C ATOM 53 OG SER A 6 -9.855 3.829 -12.394 1.00 0.00 O ATOM 0 H SER A 6 -12.069 3.583 -11.058 1.00 0.00 H new ATOM 0 HA SER A 6 -10.753 1.413 -11.930 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.642 3.770 -10.348 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.637 2.642 -11.236 1.00 0.00 H new ATOM 0 HG SER A 6 -9.166 4.520 -12.489 1.00 0.00 H new ATOM 59 N GLY A 7 -10.144 -0.202 -10.175 1.00 0.00 N ATOM 60 CA GLY A 7 -9.768 -1.168 -9.159 1.00 0.00 C ATOM 61 C GLY A 7 -8.286 -1.487 -9.183 1.00 0.00 C ATOM 62 O GLY A 7 -7.619 -1.298 -10.200 1.00 0.00 O ATOM 0 H GLY A 7 -10.281 -0.592 -11.107 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.037 -0.781 -8.176 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.337 -2.086 -9.307 1.00 0.00 H new ATOM 66 N LYS A 8 -7.769 -1.970 -8.058 1.00 0.00 N ATOM 67 CA LYS A 8 -6.356 -2.316 -7.953 1.00 0.00 C ATOM 68 C LYS A 8 -6.134 -3.796 -8.250 1.00 0.00 C ATOM 69 O LYS A 8 -7.011 -4.634 -8.038 1.00 0.00 O ATOM 70 CB LYS A 8 -5.831 -1.982 -6.555 1.00 0.00 C ATOM 71 CG LYS A 8 -5.676 -0.492 -6.303 1.00 0.00 C ATOM 72 CD LYS A 8 -4.870 0.178 -7.403 1.00 0.00 C ATOM 73 CE LYS A 8 -5.770 0.705 -8.511 1.00 0.00 C ATOM 74 NZ LYS A 8 -6.192 2.111 -8.262 1.00 0.00 N ATOM 0 H LYS A 8 -8.307 -2.131 -7.206 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.808 -1.729 -8.691 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.511 -2.399 -5.812 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.866 -2.468 -6.413 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.660 -0.029 -6.238 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.185 -0.333 -5.343 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.290 0.999 -6.982 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.158 -0.534 -7.819 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.244 0.647 -9.464 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.652 0.071 -8.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.804 2.433 -9.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.716 2.163 -7.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.352 2.721 -8.208 1.00 0.00 H new ATOM 88 N PRO A 9 -4.935 -4.126 -8.752 1.00 0.00 N ATOM 89 CA PRO A 9 -4.570 -5.506 -9.087 1.00 0.00 C ATOM 90 C PRO A 9 -4.401 -6.378 -7.847 1.00 0.00 C ATOM 91 O PRO A 9 -3.572 -6.092 -6.984 1.00 0.00 O ATOM 92 CB PRO A 9 -3.234 -5.352 -9.818 1.00 0.00 C ATOM 93 CG PRO A 9 -2.666 -4.074 -9.304 1.00 0.00 C ATOM 94 CD PRO A 9 -3.843 -3.179 -9.030 1.00 0.00 C ATOM 0 HA PRO A 9 -5.341 -5.999 -9.679 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.570 -6.192 -9.611 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.376 -5.316 -10.898 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.084 -4.242 -8.398 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.995 -3.623 -10.035 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.657 -2.520 -8.182 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.071 -2.542 -9.885 1.00 0.00 H new ATOM 102 N GLU A 10 -5.193 -7.443 -7.766 1.00 0.00 N ATOM 103 CA GLU A 10 -5.130 -8.356 -6.631 1.00 0.00 C ATOM 104 C GLU A 10 -3.778 -9.061 -6.574 1.00 0.00 C ATOM 105 O GLU A 10 -3.106 -9.055 -5.543 1.00 0.00 O ATOM 106 CB GLU A 10 -6.254 -9.391 -6.718 1.00 0.00 C ATOM 107 CG GLU A 10 -6.300 -10.129 -8.046 1.00 0.00 C ATOM 108 CD GLU A 10 -7.550 -10.974 -8.200 1.00 0.00 C ATOM 109 OE1 GLU A 10 -7.823 -11.797 -7.302 1.00 0.00 O ATOM 110 OE2 GLU A 10 -8.254 -10.812 -9.219 1.00 0.00 O ATOM 0 H GLU A 10 -5.885 -7.694 -8.472 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.254 -7.771 -5.720 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.132 -10.116 -5.913 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.209 -8.892 -6.556 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.251 -9.407 -8.861 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.421 -10.768 -8.133 1.00 0.00 H new ATOM 117 N TRP A 11 -3.386 -9.668 -7.689 1.00 0.00 N ATOM 118 CA TRP A 11 -2.115 -10.378 -7.766 1.00 0.00 C ATOM 119 C TRP A 11 -0.992 -9.552 -7.149 1.00 0.00 C ATOM 120 O TRP A 11 -0.211 -10.055 -6.342 1.00 0.00 O ATOM 121 CB TRP A 11 -1.780 -10.710 -9.221 1.00 0.00 C ATOM 122 CG TRP A 11 -1.568 -9.495 -10.074 1.00 0.00 C ATOM 123 CD1 TRP A 11 -2.477 -8.913 -10.911 1.00 0.00 C ATOM 124 CD2 TRP A 11 -0.371 -8.717 -10.173 1.00 0.00 C ATOM 125 NE1 TRP A 11 -1.916 -7.819 -11.525 1.00 0.00 N ATOM 126 CE2 TRP A 11 -0.625 -7.677 -11.089 1.00 0.00 C ATOM 127 CE3 TRP A 11 0.890 -8.795 -9.577 1.00 0.00 C ATOM 128 CZ2 TRP A 11 0.336 -6.726 -11.420 1.00 0.00 C ATOM 129 CZ3 TRP A 11 1.844 -7.851 -9.908 1.00 0.00 C ATOM 130 CH2 TRP A 11 1.562 -6.827 -10.822 1.00 0.00 C ATOM 0 H TRP A 11 -3.930 -9.682 -8.552 1.00 0.00 H new ATOM 0 HA TRP A 11 -2.211 -11.306 -7.202 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.881 -11.325 -9.248 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -2.588 -11.307 -9.645 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -3.487 -9.261 -11.067 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.385 -7.211 -12.197 1.00 0.00 H new ATOM 0 HE3 TRP A 11 1.116 -9.579 -8.870 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 0.121 -5.936 -12.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.823 -7.904 -9.455 1.00 0.00 H new ATOM 0 HH2 TRP A 11 2.328 -6.103 -11.059 1.00 0.00 H new ATOM 141 N MET A 12 -0.916 -8.282 -7.534 1.00 0.00 N ATOM 142 CA MET A 12 0.111 -7.387 -7.015 1.00 0.00 C ATOM 143 C MET A 12 0.414 -7.695 -5.552 1.00 0.00 C ATOM 144 O MET A 12 -0.494 -7.949 -4.762 1.00 0.00 O ATOM 145 CB MET A 12 -0.331 -5.930 -7.161 1.00 0.00 C ATOM 146 CG MET A 12 0.229 -5.245 -8.397 1.00 0.00 C ATOM 147 SD MET A 12 2.032 -5.214 -8.418 1.00 0.00 S ATOM 148 CE MET A 12 2.334 -3.690 -9.309 1.00 0.00 C ATOM 0 H MET A 12 -1.553 -7.850 -8.203 1.00 0.00 H new ATOM 0 HA MET A 12 1.020 -7.543 -7.596 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.420 -5.891 -7.196 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.021 -5.375 -6.276 1.00 0.00 H new ATOM 0 HG2 MET A 12 -0.132 -5.759 -9.288 1.00 0.00 H new ATOM 0 HG3 MET A 12 -0.149 -4.224 -8.444 1.00 0.00 H new ATOM 0 HE1 MET A 12 3.406 -3.494 -9.342 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.950 -3.780 -10.325 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.830 -2.867 -8.803 1.00 0.00 H new ATOM 158 N MET A 13 1.695 -7.672 -5.200 1.00 0.00 N ATOM 159 CA MET A 13 2.116 -7.948 -3.831 1.00 0.00 C ATOM 160 C MET A 13 2.612 -6.678 -3.148 1.00 0.00 C ATOM 161 O MET A 13 3.202 -5.808 -3.789 1.00 0.00 O ATOM 162 CB MET A 13 3.216 -9.011 -3.818 1.00 0.00 C ATOM 163 CG MET A 13 3.057 -10.064 -4.903 1.00 0.00 C ATOM 164 SD MET A 13 2.142 -11.512 -4.337 1.00 0.00 S ATOM 165 CE MET A 13 0.647 -10.746 -3.716 1.00 0.00 C ATOM 0 H MET A 13 2.459 -7.465 -5.843 1.00 0.00 H new ATOM 0 HA MET A 13 1.253 -8.322 -3.280 1.00 0.00 H new ATOM 0 HB2 MET A 13 4.183 -8.523 -3.936 1.00 0.00 H new ATOM 0 HB3 MET A 13 3.224 -9.502 -2.845 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.542 -9.625 -5.757 1.00 0.00 H new ATOM 0 HG3 MET A 13 4.043 -10.374 -5.250 1.00 0.00 H new ATOM 0 HE1 MET A 13 -0.171 -11.466 -3.747 1.00 0.00 H new ATOM 0 HE2 MET A 13 0.805 -10.420 -2.688 1.00 0.00 H new ATOM 0 HE3 MET A 13 0.395 -9.885 -4.335 1.00 0.00 H new ATOM 175 N ILE A 14 2.368 -6.578 -1.846 1.00 0.00 N ATOM 176 CA ILE A 14 2.792 -5.414 -1.077 1.00 0.00 C ATOM 177 C ILE A 14 3.947 -5.762 -0.145 1.00 0.00 C ATOM 178 O ILE A 14 3.738 -6.113 1.017 1.00 0.00 O ATOM 179 CB ILE A 14 1.631 -4.837 -0.245 1.00 0.00 C ATOM 180 CG1 ILE A 14 0.576 -4.217 -1.163 1.00 0.00 C ATOM 181 CG2 ILE A 14 2.152 -3.806 0.746 1.00 0.00 C ATOM 182 CD1 ILE A 14 -0.578 -3.585 -0.416 1.00 0.00 C ATOM 0 H ILE A 14 1.879 -7.288 -1.301 1.00 0.00 H new ATOM 0 HA ILE A 14 3.122 -4.664 -1.795 1.00 0.00 H new ATOM 0 HB ILE A 14 1.166 -5.648 0.315 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.050 -3.462 -1.790 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.188 -4.987 -1.830 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.320 -3.407 1.327 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.870 -4.277 1.417 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.639 -2.995 0.205 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.287 -3.166 -1.130 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.077 -4.341 0.190 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.202 -2.792 0.231 1.00 0.00 H new ATOM 194 N HIS A 15 5.168 -5.660 -0.661 1.00 0.00 N ATOM 195 CA HIS A 15 6.358 -5.961 0.126 1.00 0.00 C ATOM 196 C HIS A 15 6.169 -5.540 1.581 1.00 0.00 C ATOM 197 O HIS A 15 6.093 -6.381 2.476 1.00 0.00 O ATOM 198 CB HIS A 15 7.579 -5.256 -0.466 1.00 0.00 C ATOM 199 CG HIS A 15 8.882 -5.754 0.080 1.00 0.00 C ATOM 200 ND1 HIS A 15 10.025 -5.864 -0.683 1.00 0.00 N ATOM 201 CD2 HIS A 15 9.219 -6.171 1.323 1.00 0.00 C ATOM 202 CE1 HIS A 15 11.009 -6.329 0.066 1.00 0.00 C ATOM 203 NE2 HIS A 15 10.546 -6.523 1.288 1.00 0.00 N ATOM 0 H HIS A 15 5.359 -5.371 -1.620 1.00 0.00 H new ATOM 0 HA HIS A 15 6.520 -7.039 0.096 1.00 0.00 H new ATOM 0 HB2 HIS A 15 7.574 -5.387 -1.548 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.499 -4.186 -0.274 1.00 0.00 H new ATOM 0 HD2 HIS A 15 8.566 -6.218 2.182 1.00 0.00 H new ATOM 0 HE1 HIS A 15 12.020 -6.518 -0.264 1.00 0.00 H new ATOM 0 HE2 HIS A 15 11.086 -6.877 2.077 1.00 0.00 H new ATOM 212 N ARG A 16 6.095 -4.232 1.808 1.00 0.00 N ATOM 213 CA ARG A 16 5.917 -3.700 3.153 1.00 0.00 C ATOM 214 C ARG A 16 5.636 -2.200 3.112 1.00 0.00 C ATOM 215 O ARG A 16 6.166 -1.483 2.262 1.00 0.00 O ATOM 216 CB ARG A 16 7.160 -3.974 4.002 1.00 0.00 C ATOM 217 CG ARG A 16 8.438 -3.400 3.413 1.00 0.00 C ATOM 218 CD ARG A 16 9.612 -3.562 4.365 1.00 0.00 C ATOM 219 NE ARG A 16 10.316 -4.824 4.157 1.00 0.00 N ATOM 220 CZ ARG A 16 11.187 -5.331 5.023 1.00 0.00 C ATOM 221 NH1 ARG A 16 11.460 -4.686 6.149 1.00 0.00 N ATOM 222 NH2 ARG A 16 11.788 -6.485 4.762 1.00 0.00 N ATOM 0 H ARG A 16 6.156 -3.522 1.078 1.00 0.00 H new ATOM 0 HA ARG A 16 5.060 -4.201 3.604 1.00 0.00 H new ATOM 0 HB2 ARG A 16 7.009 -3.556 4.997 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.277 -5.051 4.123 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.661 -3.899 2.470 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.294 -2.343 3.188 1.00 0.00 H new ATOM 0 HD2 ARG A 16 10.306 -2.733 4.228 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.254 -3.512 5.393 1.00 0.00 H new ATOM 0 HE ARG A 16 10.129 -5.345 3.300 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.001 -3.798 6.352 1.00 0.00 H new ATOM 0 HH12 ARG A 16 12.129 -5.078 6.812 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.581 -6.983 3.896 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.457 -6.874 5.427 1.00 0.00 H new ATOM 236 N ILE A 17 4.800 -1.734 4.033 1.00 0.00 N ATOM 237 CA ILE A 17 4.450 -0.321 4.102 1.00 0.00 C ATOM 238 C ILE A 17 5.673 0.534 4.416 1.00 0.00 C ATOM 239 O ILE A 17 6.055 0.688 5.577 1.00 0.00 O ATOM 240 CB ILE A 17 3.368 -0.060 5.166 1.00 0.00 C ATOM 241 CG1 ILE A 17 2.025 -0.634 4.711 1.00 0.00 C ATOM 242 CG2 ILE A 17 3.247 1.431 5.443 1.00 0.00 C ATOM 243 CD1 ILE A 17 0.996 -0.712 5.817 1.00 0.00 C ATOM 0 H ILE A 17 4.352 -2.315 4.742 1.00 0.00 H new ATOM 0 HA ILE A 17 4.059 -0.045 3.123 1.00 0.00 H new ATOM 0 HB ILE A 17 3.660 -0.559 6.090 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.631 -0.019 3.902 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.185 -1.632 4.303 1.00 0.00 H new ATOM 0 HG21 ILE A 17 2.478 1.600 6.197 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.201 1.812 5.806 1.00 0.00 H new ATOM 0 HG23 ILE A 17 2.974 1.951 4.524 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.069 -1.128 5.423 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.369 -1.351 6.617 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.807 0.287 6.209 1.00 0.00 H new ATOM 255 N LEU A 18 6.284 1.088 3.374 1.00 0.00 N ATOM 256 CA LEU A 18 7.464 1.930 3.538 1.00 0.00 C ATOM 257 C LEU A 18 7.199 3.050 4.539 1.00 0.00 C ATOM 258 O LEU A 18 7.948 3.228 5.499 1.00 0.00 O ATOM 259 CB LEU A 18 7.883 2.523 2.192 1.00 0.00 C ATOM 260 CG LEU A 18 8.082 1.524 1.051 1.00 0.00 C ATOM 261 CD1 LEU A 18 8.578 2.233 -0.199 1.00 0.00 C ATOM 262 CD2 LEU A 18 9.054 0.429 1.466 1.00 0.00 C ATOM 0 H LEU A 18 5.982 0.969 2.407 1.00 0.00 H new ATOM 0 HA LEU A 18 8.273 1.308 3.922 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.128 3.248 1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.814 3.072 2.334 1.00 0.00 H new ATOM 0 HG LEU A 18 7.120 1.063 0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.714 1.506 -1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.847 2.981 -0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 18 9.529 2.721 0.013 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.184 -0.273 0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.016 0.874 1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.659 -0.099 2.334 1.00 0.00 H new ATOM 274 N ASN A 19 6.126 3.801 4.310 1.00 0.00 N ATOM 275 CA ASN A 19 5.761 4.903 5.193 1.00 0.00 C ATOM 276 C ASN A 19 4.328 5.356 4.933 1.00 0.00 C ATOM 277 O ASN A 19 3.614 4.761 4.126 1.00 0.00 O ATOM 278 CB ASN A 19 6.722 6.078 5.001 1.00 0.00 C ATOM 279 CG ASN A 19 6.904 6.889 6.269 1.00 0.00 C ATOM 280 OD1 ASN A 19 6.297 7.948 6.434 1.00 0.00 O ATOM 281 ND2 ASN A 19 7.743 6.396 7.172 1.00 0.00 N ATOM 0 H ASN A 19 5.494 3.666 3.521 1.00 0.00 H new ATOM 0 HA ASN A 19 5.831 4.550 6.222 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.690 5.702 4.672 1.00 0.00 H new ATOM 0 HB3 ASN A 19 6.346 6.726 4.209 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.906 6.898 8.045 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.225 5.515 6.993 1.00 0.00 H new ATOM 288 N HIS A 20 3.913 6.414 5.623 1.00 0.00 N ATOM 289 CA HIS A 20 2.565 6.948 5.467 1.00 0.00 C ATOM 290 C HIS A 20 2.586 8.473 5.434 1.00 0.00 C ATOM 291 O HIS A 20 3.430 9.106 6.067 1.00 0.00 O ATOM 292 CB HIS A 20 1.666 6.463 6.604 1.00 0.00 C ATOM 293 CG HIS A 20 1.784 7.284 7.852 1.00 0.00 C ATOM 294 ND1 HIS A 20 2.740 7.052 8.818 1.00 0.00 N ATOM 295 CD2 HIS A 20 1.059 8.341 8.288 1.00 0.00 C ATOM 296 CE1 HIS A 20 2.597 7.930 9.795 1.00 0.00 C ATOM 297 NE2 HIS A 20 1.584 8.723 9.497 1.00 0.00 N ATOM 0 H HIS A 20 4.491 6.918 6.295 1.00 0.00 H new ATOM 0 HA HIS A 20 2.165 6.587 4.520 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.629 6.475 6.267 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.914 5.427 6.835 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.223 8.798 7.779 1.00 0.00 H new ATOM 0 HE1 HIS A 20 3.205 7.989 10.686 1.00 0.00 H new ATOM 0 HE2 HIS A 20 1.246 9.495 10.072 1.00 0.00 H new ATOM 306 N SER A 21 1.651 9.057 4.690 1.00 0.00 N ATOM 307 CA SER A 21 1.565 10.508 4.571 1.00 0.00 C ATOM 308 C SER A 21 0.112 10.958 4.452 1.00 0.00 C ATOM 309 O SER A 21 -0.609 10.535 3.548 1.00 0.00 O ATOM 310 CB SER A 21 2.361 10.989 3.356 1.00 0.00 C ATOM 311 OG SER A 21 1.951 12.286 2.959 1.00 0.00 O ATOM 0 H SER A 21 0.943 8.548 4.161 1.00 0.00 H new ATOM 0 HA SER A 21 1.991 10.948 5.473 1.00 0.00 H new ATOM 0 HB2 SER A 21 3.425 10.997 3.594 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.225 10.292 2.529 1.00 0.00 H new ATOM 0 HG SER A 21 2.476 12.571 2.182 1.00 0.00 H new ATOM 317 N VAL A 22 -0.311 11.819 5.371 1.00 0.00 N ATOM 318 CA VAL A 22 -1.677 12.329 5.370 1.00 0.00 C ATOM 319 C VAL A 22 -1.808 13.549 4.466 1.00 0.00 C ATOM 320 O VAL A 22 -1.533 14.675 4.881 1.00 0.00 O ATOM 321 CB VAL A 22 -2.137 12.705 6.791 1.00 0.00 C ATOM 322 CG1 VAL A 22 -3.575 13.202 6.774 1.00 0.00 C ATOM 323 CG2 VAL A 22 -1.986 11.518 7.731 1.00 0.00 C ATOM 0 H VAL A 22 0.273 12.178 6.126 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.313 11.529 4.990 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.503 13.513 7.157 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.882 13.463 7.787 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.648 14.082 6.135 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.226 12.418 6.388 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.316 11.801 8.731 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.594 10.688 7.370 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.940 11.213 7.767 1.00 0.00 H new ATOM 333 N ASP A 23 -2.230 13.318 3.228 1.00 0.00 N ATOM 334 CA ASP A 23 -2.399 14.399 2.263 1.00 0.00 C ATOM 335 C ASP A 23 -3.109 15.589 2.900 1.00 0.00 C ATOM 336 O ASP A 23 -3.896 15.430 3.834 1.00 0.00 O ATOM 337 CB ASP A 23 -3.189 13.908 1.049 1.00 0.00 C ATOM 338 CG ASP A 23 -3.372 14.990 0.002 1.00 0.00 C ATOM 339 OD1 ASP A 23 -4.342 15.768 0.116 1.00 0.00 O ATOM 340 OD2 ASP A 23 -2.545 15.058 -0.930 1.00 0.00 O ATOM 0 H ASP A 23 -2.461 12.392 2.869 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.410 14.721 1.937 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.673 13.058 0.603 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.167 13.552 1.375 1.00 0.00 H new ATOM 345 N LYS A 24 -2.826 16.783 2.391 1.00 0.00 N ATOM 346 CA LYS A 24 -3.436 18.001 2.908 1.00 0.00 C ATOM 347 C LYS A 24 -4.934 17.810 3.124 1.00 0.00 C ATOM 348 O LYS A 24 -5.490 18.255 4.128 1.00 0.00 O ATOM 349 CB LYS A 24 -3.193 19.167 1.947 1.00 0.00 C ATOM 350 CG LYS A 24 -3.720 20.497 2.457 1.00 0.00 C ATOM 351 CD LYS A 24 -2.894 21.661 1.937 1.00 0.00 C ATOM 352 CE LYS A 24 -3.073 22.900 2.800 1.00 0.00 C ATOM 353 NZ LYS A 24 -2.179 22.880 3.991 1.00 0.00 N ATOM 0 H LYS A 24 -2.176 16.933 1.619 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.974 18.229 3.869 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.123 19.257 1.762 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.664 18.942 0.990 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.758 20.620 2.149 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.709 20.500 3.547 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.841 21.380 1.915 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.185 21.886 0.911 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.866 23.790 2.205 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.111 22.969 3.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.331 23.741 4.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.393 22.045 4.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.187 22.840 3.680 1.00 0.00 H new ATOM 367 N LYS A 25 -5.583 17.144 2.174 1.00 0.00 N ATOM 368 CA LYS A 25 -7.017 16.891 2.261 1.00 0.00 C ATOM 369 C LYS A 25 -7.362 16.147 3.547 1.00 0.00 C ATOM 370 O LYS A 25 -8.396 16.399 4.163 1.00 0.00 O ATOM 371 CB LYS A 25 -7.486 16.082 1.049 1.00 0.00 C ATOM 372 CG LYS A 25 -7.357 16.828 -0.268 1.00 0.00 C ATOM 373 CD LYS A 25 -8.417 16.390 -1.263 1.00 0.00 C ATOM 374 CE LYS A 25 -8.394 17.251 -2.518 1.00 0.00 C ATOM 375 NZ LYS A 25 -9.085 16.588 -3.658 1.00 0.00 N ATOM 0 H LYS A 25 -5.139 16.770 1.335 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.531 17.852 2.270 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.908 15.160 0.993 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.528 15.796 1.195 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.445 17.900 -0.090 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.367 16.655 -0.690 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.255 15.347 -1.533 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.401 16.449 -0.798 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.872 18.208 -2.311 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.361 17.464 -2.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.048 17.206 -4.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.613 15.686 -3.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.078 16.408 -3.405 1.00 0.00 H new ATOM 389 N GLY A 26 -6.487 15.229 3.947 1.00 0.00 N ATOM 390 CA GLY A 26 -6.717 14.463 5.158 1.00 0.00 C ATOM 391 C GLY A 26 -6.671 12.968 4.916 1.00 0.00 C ATOM 392 O GLY A 26 -6.573 12.182 5.859 1.00 0.00 O ATOM 0 H GLY A 26 -5.623 15.002 3.454 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.966 14.731 5.902 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.688 14.731 5.575 1.00 0.00 H new ATOM 396 N HIS A 27 -6.742 12.572 3.649 1.00 0.00 N ATOM 397 CA HIS A 27 -6.710 11.160 3.286 1.00 0.00 C ATOM 398 C HIS A 27 -5.332 10.561 3.557 1.00 0.00 C ATOM 399 O HIS A 27 -4.350 10.921 2.908 1.00 0.00 O ATOM 400 CB HIS A 27 -7.076 10.981 1.812 1.00 0.00 C ATOM 401 CG HIS A 27 -8.522 11.236 1.520 1.00 0.00 C ATOM 402 ND1 HIS A 27 -9.319 10.343 0.834 1.00 0.00 N ATOM 403 CD2 HIS A 27 -9.316 12.289 1.825 1.00 0.00 C ATOM 404 CE1 HIS A 27 -10.540 10.837 0.729 1.00 0.00 C ATOM 405 NE2 HIS A 27 -10.565 12.017 1.323 1.00 0.00 N ATOM 0 H HIS A 27 -6.822 13.209 2.857 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.442 10.636 3.900 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -6.468 11.656 1.210 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.825 9.966 1.504 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -9.022 13.178 2.363 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.376 10.358 0.241 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -11.379 12.627 1.397 1.00 0.00 H new ATOM 414 N VAL A 28 -5.268 9.646 4.519 1.00 0.00 N ATOM 415 CA VAL A 28 -4.012 8.998 4.875 1.00 0.00 C ATOM 416 C VAL A 28 -3.499 8.129 3.732 1.00 0.00 C ATOM 417 O VAL A 28 -4.227 7.289 3.202 1.00 0.00 O ATOM 418 CB VAL A 28 -4.167 8.129 6.137 1.00 0.00 C ATOM 419 CG1 VAL A 28 -2.912 7.303 6.374 1.00 0.00 C ATOM 420 CG2 VAL A 28 -4.480 8.997 7.346 1.00 0.00 C ATOM 0 H VAL A 28 -6.072 9.337 5.066 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.292 9.791 5.076 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.001 7.444 5.985 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.040 6.695 7.270 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.737 6.653 5.517 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.058 7.968 6.506 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.586 8.367 8.229 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.669 9.708 7.503 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.410 9.539 7.174 1.00 0.00 H new ATOM 430 N HIS A 29 -2.241 8.335 3.358 1.00 0.00 N ATOM 431 CA HIS A 29 -1.629 7.569 2.278 1.00 0.00 C ATOM 432 C HIS A 29 -0.538 6.647 2.815 1.00 0.00 C ATOM 433 O HIS A 29 0.139 6.973 3.790 1.00 0.00 O ATOM 434 CB HIS A 29 -1.044 8.510 1.224 1.00 0.00 C ATOM 435 CG HIS A 29 -2.081 9.289 0.475 1.00 0.00 C ATOM 436 ND1 HIS A 29 -3.404 9.345 0.860 1.00 0.00 N ATOM 437 CD2 HIS A 29 -1.982 10.050 -0.640 1.00 0.00 C ATOM 438 CE1 HIS A 29 -4.075 10.104 0.012 1.00 0.00 C ATOM 439 NE2 HIS A 29 -3.235 10.544 -0.907 1.00 0.00 N ATOM 0 H HIS A 29 -1.625 9.026 3.787 1.00 0.00 H new ATOM 0 HA HIS A 29 -2.404 6.956 1.817 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -0.359 9.205 1.710 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.456 7.927 0.515 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -1.085 10.234 -1.213 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -5.131 10.327 0.062 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -3.478 11.152 -1.689 1.00 0.00 H new ATOM 448 N TYR A 30 -0.375 5.495 2.174 1.00 0.00 N ATOM 449 CA TYR A 30 0.631 4.525 2.590 1.00 0.00 C ATOM 450 C TYR A 30 1.556 4.168 1.430 1.00 0.00 C ATOM 451 O TYR A 30 1.128 3.575 0.439 1.00 0.00 O ATOM 452 CB TYR A 30 -0.042 3.261 3.129 1.00 0.00 C ATOM 453 CG TYR A 30 -0.927 3.510 4.329 1.00 0.00 C ATOM 454 CD1 TYR A 30 -0.380 3.691 5.594 1.00 0.00 C ATOM 455 CD2 TYR A 30 -2.309 3.564 4.199 1.00 0.00 C ATOM 456 CE1 TYR A 30 -1.185 3.918 6.693 1.00 0.00 C ATOM 457 CE2 TYR A 30 -3.121 3.792 5.293 1.00 0.00 C ATOM 458 CZ TYR A 30 -2.554 3.969 6.538 1.00 0.00 C ATOM 459 OH TYR A 30 -3.360 4.195 7.630 1.00 0.00 O ATOM 0 H TYR A 30 -0.926 5.210 1.365 1.00 0.00 H new ATOM 0 HA TYR A 30 1.229 4.976 3.382 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.639 2.811 2.336 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.727 2.537 3.399 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.692 3.654 5.719 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.756 3.425 3.226 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.744 4.055 7.669 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.194 3.831 5.174 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.299 4.202 7.348 1.00 0.00 H new ATOM 469 N LEU A 31 2.826 4.533 1.562 1.00 0.00 N ATOM 470 CA LEU A 31 3.814 4.251 0.526 1.00 0.00 C ATOM 471 C LEU A 31 3.983 2.748 0.329 1.00 0.00 C ATOM 472 O LEU A 31 4.761 2.104 1.033 1.00 0.00 O ATOM 473 CB LEU A 31 5.158 4.884 0.891 1.00 0.00 C ATOM 474 CG LEU A 31 6.309 4.623 -0.082 1.00 0.00 C ATOM 475 CD1 LEU A 31 5.866 4.884 -1.514 1.00 0.00 C ATOM 476 CD2 LEU A 31 7.512 5.485 0.271 1.00 0.00 C ATOM 0 H LEU A 31 3.196 5.025 2.375 1.00 0.00 H new ATOM 0 HA LEU A 31 3.458 4.683 -0.409 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.018 5.962 0.976 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.452 4.522 1.876 1.00 0.00 H new ATOM 0 HG LEU A 31 6.600 3.576 0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.697 4.693 -2.193 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.035 4.224 -1.764 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.548 5.922 -1.613 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.321 5.286 -0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.234 6.538 0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.844 5.250 1.282 1.00 0.00 H new ATOM 488 N ILE A 32 3.251 2.197 -0.634 1.00 0.00 N ATOM 489 CA ILE A 32 3.323 0.771 -0.926 1.00 0.00 C ATOM 490 C ILE A 32 4.526 0.450 -1.806 1.00 0.00 C ATOM 491 O ILE A 32 4.795 1.144 -2.787 1.00 0.00 O ATOM 492 CB ILE A 32 2.043 0.274 -1.623 1.00 0.00 C ATOM 493 CG1 ILE A 32 0.818 0.556 -0.751 1.00 0.00 C ATOM 494 CG2 ILE A 32 2.150 -1.212 -1.931 1.00 0.00 C ATOM 495 CD1 ILE A 32 -0.488 0.142 -1.391 1.00 0.00 C ATOM 0 H ILE A 32 2.602 2.717 -1.225 1.00 0.00 H new ATOM 0 HA ILE A 32 3.429 0.258 0.030 1.00 0.00 H new ATOM 0 HB ILE A 32 1.927 0.813 -2.564 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.930 0.032 0.198 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.781 1.622 -0.525 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.238 -1.548 -2.423 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.002 -1.387 -2.588 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.287 -1.767 -1.003 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.313 0.372 -0.716 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.623 0.685 -2.327 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.471 -0.929 -1.592 1.00 0.00 H new ATOM 507 N LYS A 33 5.246 -0.608 -1.451 1.00 0.00 N ATOM 508 CA LYS A 33 6.420 -1.025 -2.209 1.00 0.00 C ATOM 509 C LYS A 33 6.167 -2.353 -2.916 1.00 0.00 C ATOM 510 O LYS A 33 6.324 -3.421 -2.324 1.00 0.00 O ATOM 511 CB LYS A 33 7.633 -1.150 -1.284 1.00 0.00 C ATOM 512 CG LYS A 33 8.867 -1.708 -1.972 1.00 0.00 C ATOM 513 CD LYS A 33 9.847 -2.292 -0.969 1.00 0.00 C ATOM 514 CE LYS A 33 11.252 -2.378 -1.547 1.00 0.00 C ATOM 515 NZ LYS A 33 11.366 -3.456 -2.569 1.00 0.00 N ATOM 0 H LYS A 33 5.037 -1.193 -0.642 1.00 0.00 H new ATOM 0 HA LYS A 33 6.624 -0.265 -2.963 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.869 -0.168 -0.873 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.374 -1.793 -0.443 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.571 -2.478 -2.684 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.356 -0.918 -2.542 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.859 -1.676 -0.070 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.514 -3.286 -0.670 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.519 -1.422 -1.997 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.965 -2.563 -0.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.367 -3.597 -2.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.976 -4.341 -2.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.835 -3.184 -3.421 1.00 0.00 H new ATOM 529 N TRP A 34 5.777 -2.279 -4.183 1.00 0.00 N ATOM 530 CA TRP A 34 5.504 -3.476 -4.970 1.00 0.00 C ATOM 531 C TRP A 34 6.696 -4.427 -4.946 1.00 0.00 C ATOM 532 O TRP A 34 7.714 -4.177 -5.592 1.00 0.00 O ATOM 533 CB TRP A 34 5.167 -3.097 -6.413 1.00 0.00 C ATOM 534 CG TRP A 34 4.137 -2.013 -6.517 1.00 0.00 C ATOM 535 CD1 TRP A 34 4.328 -0.744 -6.983 1.00 0.00 C ATOM 536 CD2 TRP A 34 2.758 -2.104 -6.146 1.00 0.00 C ATOM 537 NE1 TRP A 34 3.149 -0.040 -6.924 1.00 0.00 N ATOM 538 CE2 TRP A 34 2.171 -0.852 -6.414 1.00 0.00 C ATOM 539 CE3 TRP A 34 1.960 -3.121 -5.614 1.00 0.00 C ATOM 540 CZ2 TRP A 34 0.825 -0.592 -6.168 1.00 0.00 C ATOM 541 CZ3 TRP A 34 0.625 -2.862 -5.369 1.00 0.00 C ATOM 542 CH2 TRP A 34 0.068 -1.606 -5.647 1.00 0.00 C ATOM 0 H TRP A 34 5.643 -1.403 -4.688 1.00 0.00 H new ATOM 0 HA TRP A 34 4.648 -3.985 -4.526 1.00 0.00 H new ATOM 0 HB2 TRP A 34 6.077 -2.773 -6.918 1.00 0.00 H new ATOM 0 HB3 TRP A 34 4.808 -3.981 -6.939 1.00 0.00 H new ATOM 0 HD1 TRP A 34 5.267 -0.351 -7.345 1.00 0.00 H new ATOM 0 HE1 TRP A 34 3.023 0.930 -7.213 1.00 0.00 H new ATOM 0 HE3 TRP A 34 2.380 -4.092 -5.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 0.394 0.375 -6.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 0.000 -3.640 -4.956 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -0.979 -1.435 -5.446 1.00 0.00 H new ATOM 553 N ARG A 35 6.564 -5.517 -4.198 1.00 0.00 N ATOM 554 CA ARG A 35 7.631 -6.504 -4.090 1.00 0.00 C ATOM 555 C ARG A 35 8.396 -6.623 -5.405 1.00 0.00 C ATOM 556 O ARG A 35 9.616 -6.461 -5.442 1.00 0.00 O ATOM 557 CB ARG A 35 7.057 -7.866 -3.696 1.00 0.00 C ATOM 558 CG ARG A 35 6.583 -7.933 -2.253 1.00 0.00 C ATOM 559 CD ARG A 35 6.155 -9.341 -1.872 1.00 0.00 C ATOM 560 NE ARG A 35 7.232 -10.310 -2.056 1.00 0.00 N ATOM 561 CZ ARG A 35 7.492 -10.910 -3.212 1.00 0.00 C ATOM 562 NH1 ARG A 35 6.756 -10.641 -4.282 1.00 0.00 N ATOM 563 NH2 ARG A 35 8.490 -11.780 -3.300 1.00 0.00 N ATOM 0 H ARG A 35 5.728 -5.739 -3.657 1.00 0.00 H new ATOM 0 HA ARG A 35 8.323 -6.172 -3.316 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.222 -8.103 -4.355 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.817 -8.631 -3.856 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.383 -7.603 -1.590 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.748 -7.247 -2.111 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.831 -9.352 -0.831 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.296 -9.635 -2.476 1.00 0.00 H new ATOM 0 HE ARG A 35 7.817 -10.539 -1.252 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.989 -9.972 -4.218 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.957 -11.103 -5.169 1.00 0.00 H new ATOM 0 HH21 ARG A 35 9.059 -11.989 -2.479 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.689 -12.240 -4.188 1.00 0.00 H new ATOM 577 N ASP A 36 7.672 -6.909 -6.481 1.00 0.00 N ATOM 578 CA ASP A 36 8.282 -7.050 -7.798 1.00 0.00 C ATOM 579 C ASP A 36 9.174 -5.854 -8.114 1.00 0.00 C ATOM 580 O ASP A 36 10.324 -6.016 -8.525 1.00 0.00 O ATOM 581 CB ASP A 36 7.201 -7.194 -8.871 1.00 0.00 C ATOM 582 CG ASP A 36 7.725 -6.898 -10.263 1.00 0.00 C ATOM 583 OD1 ASP A 36 7.942 -5.709 -10.574 1.00 0.00 O ATOM 584 OD2 ASP A 36 7.916 -7.856 -11.041 1.00 0.00 O ATOM 0 H ASP A 36 6.662 -7.048 -6.467 1.00 0.00 H new ATOM 0 HA ASP A 36 8.899 -7.949 -7.792 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.799 -8.207 -8.845 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.376 -6.518 -8.645 1.00 0.00 H new ATOM 589 N LEU A 37 8.638 -4.654 -7.921 1.00 0.00 N ATOM 590 CA LEU A 37 9.385 -3.430 -8.187 1.00 0.00 C ATOM 591 C LEU A 37 10.312 -3.094 -7.022 1.00 0.00 C ATOM 592 O LEU A 37 10.054 -3.446 -5.871 1.00 0.00 O ATOM 593 CB LEU A 37 8.424 -2.267 -8.440 1.00 0.00 C ATOM 594 CG LEU A 37 7.443 -2.448 -9.599 1.00 0.00 C ATOM 595 CD1 LEU A 37 6.423 -1.320 -9.616 1.00 0.00 C ATOM 596 CD2 LEU A 37 8.189 -2.515 -10.924 1.00 0.00 C ATOM 0 H LEU A 37 7.688 -4.503 -7.581 1.00 0.00 H new ATOM 0 HA LEU A 37 9.993 -3.591 -9.077 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.851 -2.090 -7.530 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.013 -1.369 -8.625 1.00 0.00 H new ATOM 0 HG LEU A 37 6.911 -3.389 -9.456 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.733 -1.466 -10.447 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.866 -1.319 -8.679 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.937 -0.366 -9.734 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.475 -2.644 -11.737 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.747 -1.591 -11.074 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.880 -3.358 -10.910 1.00 0.00 H new ATOM 608 N PRO A 38 11.415 -2.396 -7.327 1.00 0.00 N ATOM 609 CA PRO A 38 12.401 -1.994 -6.319 1.00 0.00 C ATOM 610 C PRO A 38 11.864 -0.923 -5.377 1.00 0.00 C ATOM 611 O PRO A 38 10.656 -0.694 -5.305 1.00 0.00 O ATOM 612 CB PRO A 38 13.558 -1.440 -7.155 1.00 0.00 C ATOM 613 CG PRO A 38 12.926 -0.995 -8.428 1.00 0.00 C ATOM 614 CD PRO A 38 11.785 -1.943 -8.678 1.00 0.00 C ATOM 0 HA PRO A 38 12.684 -2.825 -5.672 1.00 0.00 H new ATOM 0 HB2 PRO A 38 14.052 -0.611 -6.647 1.00 0.00 H new ATOM 0 HB3 PRO A 38 14.317 -2.202 -7.335 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.570 0.032 -8.349 1.00 0.00 H new ATOM 0 HG3 PRO A 38 13.642 -1.021 -9.249 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.953 -1.447 -9.177 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.087 -2.776 -9.313 1.00 0.00 H new ATOM 622 N TYR A 39 12.767 -0.268 -4.656 1.00 0.00 N ATOM 623 CA TYR A 39 12.383 0.779 -3.716 1.00 0.00 C ATOM 624 C TYR A 39 12.318 2.136 -4.410 1.00 0.00 C ATOM 625 O TYR A 39 11.585 3.029 -3.984 1.00 0.00 O ATOM 626 CB TYR A 39 13.373 0.836 -2.551 1.00 0.00 C ATOM 627 CG TYR A 39 12.955 1.780 -1.447 1.00 0.00 C ATOM 628 CD1 TYR A 39 12.027 1.392 -0.488 1.00 0.00 C ATOM 629 CD2 TYR A 39 13.486 3.061 -1.363 1.00 0.00 C ATOM 630 CE1 TYR A 39 11.641 2.252 0.522 1.00 0.00 C ATOM 631 CE2 TYR A 39 13.108 3.927 -0.356 1.00 0.00 C ATOM 632 CZ TYR A 39 12.185 3.518 0.584 1.00 0.00 C ATOM 633 OH TYR A 39 11.804 4.378 1.588 1.00 0.00 O ATOM 0 H TYR A 39 13.771 -0.444 -4.704 1.00 0.00 H new ATOM 0 HA TYR A 39 11.392 0.540 -3.330 1.00 0.00 H new ATOM 0 HB2 TYR A 39 13.491 -0.165 -2.136 1.00 0.00 H new ATOM 0 HB3 TYR A 39 14.349 1.142 -2.929 1.00 0.00 H new ATOM 0 HD1 TYR A 39 11.600 0.401 -0.533 1.00 0.00 H new ATOM 0 HD2 TYR A 39 14.207 3.385 -2.098 1.00 0.00 H new ATOM 0 HE1 TYR A 39 10.918 1.935 1.259 1.00 0.00 H new ATOM 0 HE2 TYR A 39 13.533 4.919 -0.305 1.00 0.00 H new ATOM 0 HH TYR A 39 12.281 5.228 1.489 1.00 0.00 H new ATOM 643 N ASP A 40 13.090 2.283 -5.481 1.00 0.00 N ATOM 644 CA ASP A 40 13.120 3.530 -6.236 1.00 0.00 C ATOM 645 C ASP A 40 11.910 3.636 -7.158 1.00 0.00 C ATOM 646 O ASP A 40 11.603 4.711 -7.674 1.00 0.00 O ATOM 647 CB ASP A 40 14.409 3.626 -7.053 1.00 0.00 C ATOM 648 CG ASP A 40 15.649 3.412 -6.207 1.00 0.00 C ATOM 649 OD1 ASP A 40 16.057 2.244 -6.037 1.00 0.00 O ATOM 650 OD2 ASP A 40 16.211 4.412 -5.715 1.00 0.00 O ATOM 0 H ASP A 40 13.703 1.554 -5.846 1.00 0.00 H new ATOM 0 HA ASP A 40 13.087 4.356 -5.526 1.00 0.00 H new ATOM 0 HB2 ASP A 40 14.385 2.885 -7.852 1.00 0.00 H new ATOM 0 HB3 ASP A 40 14.462 4.605 -7.529 1.00 0.00 H new ATOM 655 N GLN A 41 11.227 2.514 -7.362 1.00 0.00 N ATOM 656 CA GLN A 41 10.051 2.482 -8.224 1.00 0.00 C ATOM 657 C GLN A 41 8.770 2.565 -7.401 1.00 0.00 C ATOM 658 O GLN A 41 7.708 2.903 -7.921 1.00 0.00 O ATOM 659 CB GLN A 41 10.047 1.206 -9.068 1.00 0.00 C ATOM 660 CG GLN A 41 10.771 1.354 -10.397 1.00 0.00 C ATOM 661 CD GLN A 41 10.232 0.418 -11.462 1.00 0.00 C ATOM 662 OE1 GLN A 41 9.073 0.519 -11.865 1.00 0.00 O ATOM 663 NE2 GLN A 41 11.073 -0.500 -11.923 1.00 0.00 N ATOM 0 H GLN A 41 11.467 1.616 -6.943 1.00 0.00 H new ATOM 0 HA GLN A 41 10.093 3.347 -8.885 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.512 0.402 -8.498 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.016 0.908 -9.257 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.680 2.383 -10.743 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.834 1.159 -10.251 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.025 -0.547 -11.560 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.767 -1.158 -12.640 1.00 0.00 H new ATOM 672 N ALA A 42 8.879 2.254 -6.113 1.00 0.00 N ATOM 673 CA ALA A 42 7.730 2.295 -5.218 1.00 0.00 C ATOM 674 C ALA A 42 6.797 3.447 -5.574 1.00 0.00 C ATOM 675 O ALA A 42 7.236 4.481 -6.078 1.00 0.00 O ATOM 676 CB ALA A 42 8.191 2.415 -3.772 1.00 0.00 C ATOM 0 H ALA A 42 9.751 1.971 -5.667 1.00 0.00 H new ATOM 0 HA ALA A 42 7.176 1.364 -5.336 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.322 2.445 -3.114 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.811 1.556 -3.515 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.770 3.330 -3.649 1.00 0.00 H new ATOM 682 N SER A 43 5.507 3.261 -5.311 1.00 0.00 N ATOM 683 CA SER A 43 4.511 4.284 -5.609 1.00 0.00 C ATOM 684 C SER A 43 3.630 4.555 -4.394 1.00 0.00 C ATOM 685 O SER A 43 3.359 3.656 -3.597 1.00 0.00 O ATOM 686 CB SER A 43 3.646 3.853 -6.795 1.00 0.00 C ATOM 687 OG SER A 43 4.209 4.285 -8.021 1.00 0.00 O ATOM 0 H SER A 43 5.127 2.412 -4.892 1.00 0.00 H new ATOM 0 HA SER A 43 5.036 5.204 -5.867 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.545 2.768 -6.800 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.643 4.266 -6.686 1.00 0.00 H new ATOM 0 HG SER A 43 3.638 3.995 -8.763 1.00 0.00 H new ATOM 693 N TRP A 44 3.187 5.799 -4.258 1.00 0.00 N ATOM 694 CA TRP A 44 2.337 6.190 -3.139 1.00 0.00 C ATOM 695 C TRP A 44 0.882 5.817 -3.405 1.00 0.00 C ATOM 696 O TRP A 44 0.326 6.157 -4.448 1.00 0.00 O ATOM 697 CB TRP A 44 2.452 7.694 -2.886 1.00 0.00 C ATOM 698 CG TRP A 44 3.546 8.053 -1.926 1.00 0.00 C ATOM 699 CD1 TRP A 44 4.754 8.611 -2.232 1.00 0.00 C ATOM 700 CD2 TRP A 44 3.532 7.875 -0.506 1.00 0.00 C ATOM 701 NE1 TRP A 44 5.492 8.791 -1.088 1.00 0.00 N ATOM 702 CE2 TRP A 44 4.765 8.349 -0.015 1.00 0.00 C ATOM 703 CE3 TRP A 44 2.598 7.364 0.400 1.00 0.00 C ATOM 704 CZ2 TRP A 44 5.085 8.325 1.340 1.00 0.00 C ATOM 705 CZ3 TRP A 44 2.918 7.341 1.744 1.00 0.00 C ATOM 706 CH2 TRP A 44 4.152 7.819 2.204 1.00 0.00 C ATOM 0 H TRP A 44 3.402 6.555 -4.908 1.00 0.00 H new ATOM 0 HA TRP A 44 2.675 5.653 -2.253 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.629 8.202 -3.834 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.503 8.064 -2.499 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.081 8.872 -3.228 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.430 9.189 -1.045 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.644 6.994 0.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 6.036 8.693 1.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.204 6.948 2.453 1.00 0.00 H new ATOM 0 HH2 TRP A 44 4.371 7.788 3.261 1.00 0.00 H new ATOM 717 N GLU A 45 0.273 5.115 -2.455 1.00 0.00 N ATOM 718 CA GLU A 45 -1.117 4.695 -2.588 1.00 0.00 C ATOM 719 C GLU A 45 -1.932 5.115 -1.368 1.00 0.00 C ATOM 720 O GLU A 45 -1.549 4.846 -0.230 1.00 0.00 O ATOM 721 CB GLU A 45 -1.200 3.178 -2.773 1.00 0.00 C ATOM 722 CG GLU A 45 -0.391 2.664 -3.951 1.00 0.00 C ATOM 723 CD GLU A 45 -0.983 3.070 -5.287 1.00 0.00 C ATOM 724 OE1 GLU A 45 -0.736 4.215 -5.721 1.00 0.00 O ATOM 725 OE2 GLU A 45 -1.692 2.244 -5.898 1.00 0.00 O ATOM 0 H GLU A 45 0.720 4.825 -1.585 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.534 5.184 -3.468 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.851 2.690 -1.863 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.244 2.893 -2.908 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.629 3.043 -3.880 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.332 1.577 -3.899 1.00 0.00 H new ATOM 732 N SER A 46 -3.057 5.778 -1.615 1.00 0.00 N ATOM 733 CA SER A 46 -3.924 6.240 -0.538 1.00 0.00 C ATOM 734 C SER A 46 -4.372 5.073 0.337 1.00 0.00 C ATOM 735 O SER A 46 -3.990 3.927 0.104 1.00 0.00 O ATOM 736 CB SER A 46 -5.146 6.961 -1.111 1.00 0.00 C ATOM 737 OG SER A 46 -6.038 7.352 -0.082 1.00 0.00 O ATOM 0 H SER A 46 -3.389 6.007 -2.552 1.00 0.00 H new ATOM 0 HA SER A 46 -3.356 6.937 0.078 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.824 7.839 -1.671 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.662 6.307 -1.814 1.00 0.00 H new ATOM 0 HG SER A 46 -6.845 6.797 -0.121 1.00 0.00 H new ATOM 743 N GLU A 47 -5.185 5.375 1.345 1.00 0.00 N ATOM 744 CA GLU A 47 -5.684 4.352 2.256 1.00 0.00 C ATOM 745 C GLU A 47 -7.060 3.858 1.817 1.00 0.00 C ATOM 746 O GLU A 47 -7.771 3.207 2.584 1.00 0.00 O ATOM 747 CB GLU A 47 -5.758 4.900 3.683 1.00 0.00 C ATOM 748 CG GLU A 47 -6.794 5.997 3.861 1.00 0.00 C ATOM 749 CD GLU A 47 -7.226 6.163 5.305 1.00 0.00 C ATOM 750 OE1 GLU A 47 -7.064 5.202 6.086 1.00 0.00 O ATOM 751 OE2 GLU A 47 -7.725 7.253 5.654 1.00 0.00 O ATOM 0 H GLU A 47 -5.512 6.319 1.551 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.990 3.511 2.233 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.987 4.082 4.366 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.779 5.287 3.966 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.385 6.940 3.497 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.667 5.770 3.248 1.00 0.00 H new ATOM 758 N ASP A 48 -7.428 4.172 0.580 1.00 0.00 N ATOM 759 CA ASP A 48 -8.717 3.760 0.038 1.00 0.00 C ATOM 760 C ASP A 48 -8.548 2.616 -0.957 1.00 0.00 C ATOM 761 O ASP A 48 -9.472 1.833 -1.182 1.00 0.00 O ATOM 762 CB ASP A 48 -9.412 4.942 -0.638 1.00 0.00 C ATOM 763 CG ASP A 48 -9.496 6.158 0.264 1.00 0.00 C ATOM 764 OD1 ASP A 48 -8.437 6.622 0.736 1.00 0.00 O ATOM 765 OD2 ASP A 48 -10.621 6.646 0.498 1.00 0.00 O ATOM 0 H ASP A 48 -6.852 4.711 -0.066 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.335 3.410 0.865 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.872 5.205 -1.548 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.417 4.646 -0.938 1.00 0.00 H new ATOM 770 N VAL A 49 -7.363 2.525 -1.551 1.00 0.00 N ATOM 771 CA VAL A 49 -7.072 1.477 -2.522 1.00 0.00 C ATOM 772 C VAL A 49 -7.283 0.094 -1.918 1.00 0.00 C ATOM 773 O VAL A 49 -7.025 -0.123 -0.734 1.00 0.00 O ATOM 774 CB VAL A 49 -5.627 1.582 -3.045 1.00 0.00 C ATOM 775 CG1 VAL A 49 -5.432 2.877 -3.819 1.00 0.00 C ATOM 776 CG2 VAL A 49 -4.636 1.483 -1.895 1.00 0.00 C ATOM 0 H VAL A 49 -6.588 3.165 -1.377 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.763 1.616 -3.354 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.443 0.750 -3.725 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.405 2.934 -4.181 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.117 2.901 -4.666 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.634 3.726 -3.165 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.620 1.559 -2.283 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.816 2.293 -1.188 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.760 0.526 -1.389 1.00 0.00 H new ATOM 786 N GLU A 50 -7.754 -0.839 -2.739 1.00 0.00 N ATOM 787 CA GLU A 50 -8.000 -2.203 -2.284 1.00 0.00 C ATOM 788 C GLU A 50 -6.975 -3.167 -2.875 1.00 0.00 C ATOM 789 O GLU A 50 -7.067 -3.548 -4.042 1.00 0.00 O ATOM 790 CB GLU A 50 -9.414 -2.645 -2.669 1.00 0.00 C ATOM 791 CG GLU A 50 -9.606 -2.836 -4.164 1.00 0.00 C ATOM 792 CD GLU A 50 -11.062 -2.761 -4.579 1.00 0.00 C ATOM 793 OE1 GLU A 50 -11.734 -1.776 -4.209 1.00 0.00 O ATOM 794 OE2 GLU A 50 -11.530 -3.688 -5.274 1.00 0.00 O ATOM 0 H GLU A 50 -7.973 -0.676 -3.722 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.905 -2.220 -1.198 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.645 -3.580 -2.159 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.128 -1.903 -2.311 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.040 -2.074 -4.700 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.197 -3.803 -4.458 1.00 0.00 H new ATOM 801 N ILE A 51 -6.000 -3.556 -2.060 1.00 0.00 N ATOM 802 CA ILE A 51 -4.959 -4.475 -2.501 1.00 0.00 C ATOM 803 C ILE A 51 -4.968 -5.755 -1.672 1.00 0.00 C ATOM 804 O ILE A 51 -5.438 -5.766 -0.535 1.00 0.00 O ATOM 805 CB ILE A 51 -3.563 -3.830 -2.411 1.00 0.00 C ATOM 806 CG1 ILE A 51 -3.542 -2.503 -3.173 1.00 0.00 C ATOM 807 CG2 ILE A 51 -2.505 -4.777 -2.957 1.00 0.00 C ATOM 808 CD1 ILE A 51 -2.519 -1.521 -2.646 1.00 0.00 C ATOM 0 H ILE A 51 -5.910 -3.249 -1.091 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.173 -4.717 -3.542 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.337 -3.631 -1.363 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.336 -2.700 -4.225 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.531 -2.048 -3.122 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.524 -4.307 -2.886 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.508 -5.699 -2.376 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.724 -5.005 -4.000 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.560 -0.603 -3.233 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.736 -1.294 -1.602 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.523 -1.957 -2.723 1.00 0.00 H new ATOM 820 N GLN A 52 -4.445 -6.832 -2.250 1.00 0.00 N ATOM 821 CA GLN A 52 -4.392 -8.117 -1.564 1.00 0.00 C ATOM 822 C GLN A 52 -3.806 -7.964 -0.164 1.00 0.00 C ATOM 823 O GLN A 52 -2.663 -7.536 -0.003 1.00 0.00 O ATOM 824 CB GLN A 52 -3.562 -9.117 -2.371 1.00 0.00 C ATOM 825 CG GLN A 52 -4.020 -10.557 -2.212 1.00 0.00 C ATOM 826 CD GLN A 52 -5.496 -10.736 -2.508 1.00 0.00 C ATOM 827 OE1 GLN A 52 -6.336 -10.654 -1.611 1.00 0.00 O ATOM 828 NE2 GLN A 52 -5.821 -10.982 -3.772 1.00 0.00 N ATOM 0 H GLN A 52 -4.052 -6.840 -3.191 1.00 0.00 H new ATOM 0 HA GLN A 52 -5.411 -8.493 -1.472 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.606 -8.845 -3.426 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.519 -9.041 -2.065 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.440 -11.195 -2.879 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.814 -10.889 -1.194 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.093 -11.042 -4.484 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.799 -11.111 -4.031 1.00 0.00 H new ATOM 837 N ASP A 53 -4.596 -8.315 0.845 1.00 0.00 N ATOM 838 CA ASP A 53 -4.155 -8.216 2.231 1.00 0.00 C ATOM 839 C ASP A 53 -3.677 -6.803 2.551 1.00 0.00 C ATOM 840 O ASP A 53 -2.726 -6.615 3.310 1.00 0.00 O ATOM 841 CB ASP A 53 -3.034 -9.221 2.504 1.00 0.00 C ATOM 842 CG ASP A 53 -3.502 -10.658 2.380 1.00 0.00 C ATOM 843 OD1 ASP A 53 -4.600 -10.970 2.886 1.00 0.00 O ATOM 844 OD2 ASP A 53 -2.770 -11.469 1.776 1.00 0.00 O ATOM 0 H ASP A 53 -5.545 -8.671 0.729 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.005 -8.446 2.874 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.216 -9.047 1.805 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.638 -9.056 3.506 1.00 0.00 H new ATOM 849 N TYR A 54 -4.342 -5.813 1.965 1.00 0.00 N ATOM 850 CA TYR A 54 -3.983 -4.417 2.184 1.00 0.00 C ATOM 851 C TYR A 54 -4.306 -3.989 3.613 1.00 0.00 C ATOM 852 O TYR A 54 -3.458 -3.439 4.315 1.00 0.00 O ATOM 853 CB TYR A 54 -4.720 -3.517 1.191 1.00 0.00 C ATOM 854 CG TYR A 54 -4.267 -2.075 1.229 1.00 0.00 C ATOM 855 CD1 TYR A 54 -2.925 -1.752 1.384 1.00 0.00 C ATOM 856 CD2 TYR A 54 -5.181 -1.036 1.110 1.00 0.00 C ATOM 857 CE1 TYR A 54 -2.506 -0.435 1.420 1.00 0.00 C ATOM 858 CE2 TYR A 54 -4.772 0.283 1.143 1.00 0.00 C ATOM 859 CZ TYR A 54 -3.434 0.578 1.299 1.00 0.00 C ATOM 860 OH TYR A 54 -3.021 1.891 1.333 1.00 0.00 O ATOM 0 H TYR A 54 -5.132 -5.952 1.335 1.00 0.00 H new ATOM 0 HA TYR A 54 -2.909 -4.316 2.028 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.576 -3.908 0.184 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -5.789 -3.559 1.400 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.196 -2.543 1.478 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.230 -1.263 0.990 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.459 -0.201 1.542 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.496 1.079 1.047 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.389 2.370 0.561 1.00 0.00 H new ATOM 870 N ASP A 55 -5.539 -4.247 4.036 1.00 0.00 N ATOM 871 CA ASP A 55 -5.976 -3.891 5.381 1.00 0.00 C ATOM 872 C ASP A 55 -5.043 -4.487 6.431 1.00 0.00 C ATOM 873 O ASP A 55 -4.729 -3.845 7.433 1.00 0.00 O ATOM 874 CB ASP A 55 -7.407 -4.374 5.619 1.00 0.00 C ATOM 875 CG ASP A 55 -8.380 -3.833 4.589 1.00 0.00 C ATOM 876 OD1 ASP A 55 -8.225 -4.165 3.395 1.00 0.00 O ATOM 877 OD2 ASP A 55 -9.296 -3.078 4.978 1.00 0.00 O ATOM 0 H ASP A 55 -6.253 -4.701 3.467 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.948 -2.805 5.471 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.428 -5.464 5.597 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.729 -4.069 6.615 1.00 0.00 H new ATOM 882 N LEU A 56 -4.606 -5.719 6.194 1.00 0.00 N ATOM 883 CA LEU A 56 -3.709 -6.403 7.120 1.00 0.00 C ATOM 884 C LEU A 56 -2.422 -5.610 7.318 1.00 0.00 C ATOM 885 O LEU A 56 -2.051 -5.279 8.445 1.00 0.00 O ATOM 886 CB LEU A 56 -3.384 -7.806 6.603 1.00 0.00 C ATOM 887 CG LEU A 56 -4.559 -8.780 6.521 1.00 0.00 C ATOM 888 CD1 LEU A 56 -4.061 -10.197 6.281 1.00 0.00 C ATOM 889 CD2 LEU A 56 -5.396 -8.715 7.789 1.00 0.00 C ATOM 0 H LEU A 56 -4.858 -6.264 5.370 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.214 -6.485 8.083 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.945 -7.713 5.609 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.621 -8.242 7.248 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.188 -8.490 5.680 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.911 -10.877 6.225 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.505 -10.234 5.344 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.409 -10.497 7.101 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.228 -9.415 7.712 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.778 -8.979 8.647 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.783 -7.704 7.918 1.00 0.00 H new ATOM 901 N PHE A 57 -1.745 -5.306 6.216 1.00 0.00 N ATOM 902 CA PHE A 57 -0.499 -4.550 6.268 1.00 0.00 C ATOM 903 C PHE A 57 -0.681 -3.255 7.054 1.00 0.00 C ATOM 904 O PHE A 57 0.032 -2.998 8.024 1.00 0.00 O ATOM 905 CB PHE A 57 -0.008 -4.237 4.853 1.00 0.00 C ATOM 906 CG PHE A 57 0.856 -5.316 4.266 1.00 0.00 C ATOM 907 CD1 PHE A 57 0.329 -6.566 3.982 1.00 0.00 C ATOM 908 CD2 PHE A 57 2.195 -5.081 3.998 1.00 0.00 C ATOM 909 CE1 PHE A 57 1.121 -7.561 3.441 1.00 0.00 C ATOM 910 CE2 PHE A 57 2.992 -6.072 3.456 1.00 0.00 C ATOM 911 CZ PHE A 57 2.455 -7.314 3.179 1.00 0.00 C ATOM 0 H PHE A 57 -2.038 -5.572 5.276 1.00 0.00 H new ATOM 0 HA PHE A 57 0.247 -5.161 6.777 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.870 -4.080 4.204 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.553 -3.303 4.870 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.713 -6.765 4.186 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.621 -4.113 4.215 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.698 -8.530 3.223 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.034 -5.875 3.249 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.077 -8.091 2.758 1.00 0.00 H new ATOM 921 N LYS A 58 -1.641 -2.442 6.627 1.00 0.00 N ATOM 922 CA LYS A 58 -1.920 -1.173 7.289 1.00 0.00 C ATOM 923 C LYS A 58 -2.203 -1.384 8.773 1.00 0.00 C ATOM 924 O LYS A 58 -1.730 -0.624 9.618 1.00 0.00 O ATOM 925 CB LYS A 58 -3.112 -0.479 6.626 1.00 0.00 C ATOM 926 CG LYS A 58 -2.983 -0.358 5.117 1.00 0.00 C ATOM 927 CD LYS A 58 -4.338 -0.435 4.434 1.00 0.00 C ATOM 928 CE LYS A 58 -5.037 0.916 4.431 1.00 0.00 C ATOM 929 NZ LYS A 58 -5.364 1.373 5.810 1.00 0.00 N ATOM 0 H LYS A 58 -2.239 -2.639 5.825 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.038 -0.540 7.191 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.021 -1.033 6.861 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.226 0.517 7.054 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.501 0.587 4.867 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.339 -1.153 4.741 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.211 -0.783 3.409 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.963 -1.168 4.944 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.399 1.654 3.945 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.953 0.850 3.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.274 1.876 5.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.429 0.550 6.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.618 2.012 6.150 1.00 0.00 H new ATOM 943 N GLN A 59 -2.975 -2.421 9.082 1.00 0.00 N ATOM 944 CA GLN A 59 -3.319 -2.731 10.465 1.00 0.00 C ATOM 945 C GLN A 59 -2.088 -3.183 11.244 1.00 0.00 C ATOM 946 O GLN A 59 -2.002 -2.985 12.456 1.00 0.00 O ATOM 947 CB GLN A 59 -4.395 -3.817 10.513 1.00 0.00 C ATOM 948 CG GLN A 59 -4.749 -4.260 11.924 1.00 0.00 C ATOM 949 CD GLN A 59 -6.151 -4.830 12.021 1.00 0.00 C ATOM 950 OE1 GLN A 59 -7.137 -4.119 11.823 1.00 0.00 O ATOM 951 NE2 GLN A 59 -6.247 -6.118 12.328 1.00 0.00 N ATOM 0 H GLN A 59 -3.374 -3.060 8.394 1.00 0.00 H new ATOM 0 HA GLN A 59 -3.707 -1.824 10.929 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -5.295 -3.448 10.020 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -4.053 -4.682 9.945 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.032 -5.011 12.256 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -4.658 -3.411 12.601 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -5.403 -6.669 12.484 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -7.165 -6.556 12.408 1.00 0.00 H new ATOM 960 N SER A 60 -1.139 -3.791 10.540 1.00 0.00 N ATOM 961 CA SER A 60 0.086 -4.276 11.167 1.00 0.00 C ATOM 962 C SER A 60 1.050 -3.124 11.435 1.00 0.00 C ATOM 963 O SER A 60 1.298 -2.762 12.586 1.00 0.00 O ATOM 964 CB SER A 60 0.759 -5.323 10.278 1.00 0.00 C ATOM 965 OG SER A 60 1.708 -6.079 11.010 1.00 0.00 O ATOM 0 H SER A 60 -1.194 -3.960 9.536 1.00 0.00 H new ATOM 0 HA SER A 60 -0.179 -4.735 12.119 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.004 -5.988 9.859 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.251 -4.831 9.439 1.00 0.00 H new ATOM 0 HG SER A 60 2.123 -6.742 10.420 1.00 0.00 H new ATOM 971 N TYR A 61 1.592 -2.553 10.365 1.00 0.00 N ATOM 972 CA TYR A 61 2.532 -1.445 10.483 1.00 0.00 C ATOM 973 C TYR A 61 2.170 -0.548 11.664 1.00 0.00 C ATOM 974 O TYR A 61 3.013 -0.244 12.508 1.00 0.00 O ATOM 975 CB TYR A 61 2.550 -0.625 9.192 1.00 0.00 C ATOM 976 CG TYR A 61 3.496 0.554 9.238 1.00 0.00 C ATOM 977 CD1 TYR A 61 4.846 0.377 9.515 1.00 0.00 C ATOM 978 CD2 TYR A 61 3.040 1.845 9.002 1.00 0.00 C ATOM 979 CE1 TYR A 61 5.714 1.451 9.558 1.00 0.00 C ATOM 980 CE2 TYR A 61 3.901 2.925 9.041 1.00 0.00 C ATOM 981 CZ TYR A 61 5.236 2.723 9.320 1.00 0.00 C ATOM 982 OH TYR A 61 6.097 3.796 9.361 1.00 0.00 O ATOM 0 H TYR A 61 1.396 -2.839 9.406 1.00 0.00 H new ATOM 0 HA TYR A 61 3.525 -1.860 10.656 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.831 -1.274 8.363 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.542 -0.264 8.986 1.00 0.00 H new ATOM 0 HD1 TYR A 61 5.224 -0.618 9.700 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.995 2.007 8.784 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.760 1.296 9.777 1.00 0.00 H new ATOM 0 HE2 TYR A 61 3.530 3.922 8.854 1.00 0.00 H new ATOM 0 HH TYR A 61 5.602 4.620 9.170 1.00 0.00 H new ATOM 992 N TRP A 62 0.911 -0.128 11.715 1.00 0.00 N ATOM 993 CA TRP A 62 0.436 0.733 12.792 1.00 0.00 C ATOM 994 C TRP A 62 0.725 0.112 14.154 1.00 0.00 C ATOM 995 O TRP A 62 1.497 0.655 14.943 1.00 0.00 O ATOM 996 CB TRP A 62 -1.064 0.992 12.642 1.00 0.00 C ATOM 997 CG TRP A 62 -1.384 2.093 11.678 1.00 0.00 C ATOM 998 CD1 TRP A 62 -2.242 2.031 10.618 1.00 0.00 C ATOM 999 CD2 TRP A 62 -0.847 3.421 11.685 1.00 0.00 C ATOM 1000 NE1 TRP A 62 -2.272 3.240 9.965 1.00 0.00 N ATOM 1001 CE2 TRP A 62 -1.425 4.110 10.600 1.00 0.00 C ATOM 1002 CE3 TRP A 62 0.064 4.095 12.502 1.00 0.00 C ATOM 1003 CZ2 TRP A 62 -1.120 5.438 10.315 1.00 0.00 C ATOM 1004 CZ3 TRP A 62 0.366 5.413 12.217 1.00 0.00 C ATOM 1005 CH2 TRP A 62 -0.225 6.073 11.131 1.00 0.00 C ATOM 0 H TRP A 62 0.201 -0.369 11.024 1.00 0.00 H new ATOM 0 HA TRP A 62 0.969 1.682 12.727 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -1.552 0.076 12.310 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -1.482 1.241 13.618 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -2.813 1.160 10.334 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -2.834 3.455 9.141 1.00 0.00 H new ATOM 0 HE3 TRP A 62 0.524 3.595 13.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -1.574 5.949 9.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 1.069 5.943 12.842 1.00 0.00 H new ATOM 0 HH2 TRP A 62 0.032 7.104 10.935 1.00 0.00 H new ATOM 1016 N ASN A 63 0.099 -1.030 14.423 1.00 0.00 N ATOM 1017 CA ASN A 63 0.289 -1.725 15.691 1.00 0.00 C ATOM 1018 C ASN A 63 1.773 -1.864 16.018 1.00 0.00 C ATOM 1019 O ASN A 63 2.250 -1.338 17.024 1.00 0.00 O ATOM 1020 CB ASN A 63 -0.366 -3.106 15.642 1.00 0.00 C ATOM 1021 CG ASN A 63 -1.869 -3.041 15.839 1.00 0.00 C ATOM 1022 OD1 ASN A 63 -2.352 -2.509 16.838 1.00 0.00 O ATOM 1023 ND2 ASN A 63 -2.615 -3.585 14.884 1.00 0.00 N ATOM 0 H ASN A 63 -0.544 -1.493 13.780 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.184 -1.134 16.476 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.148 -3.575 14.682 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.072 -3.740 16.413 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -3.632 -3.572 14.962 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -2.171 -4.015 14.073 1.00 0.00 H new ATOM 1030 N HIS A 64 2.497 -2.577 15.161 1.00 0.00 N ATOM 1031 CA HIS A 64 3.927 -2.785 15.358 1.00 0.00 C ATOM 1032 C HIS A 64 4.740 -1.822 14.497 1.00 0.00 C ATOM 1033 O HIS A 64 5.649 -1.152 14.988 1.00 0.00 O ATOM 1034 CB HIS A 64 4.305 -4.229 15.024 1.00 0.00 C ATOM 1035 CG HIS A 64 5.774 -4.430 14.814 1.00 0.00 C ATOM 1036 ND1 HIS A 64 6.544 -5.243 15.619 1.00 0.00 N ATOM 1037 CD2 HIS A 64 6.613 -3.921 13.882 1.00 0.00 C ATOM 1038 CE1 HIS A 64 7.795 -5.223 15.193 1.00 0.00 C ATOM 1039 NE2 HIS A 64 7.863 -4.429 14.139 1.00 0.00 N ATOM 0 H HIS A 64 2.117 -3.020 14.324 1.00 0.00 H new ATOM 0 HA HIS A 64 4.156 -2.590 16.406 1.00 0.00 H new ATOM 0 HB2 HIS A 64 3.969 -4.880 15.831 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.772 -4.537 14.124 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.349 -3.242 13.085 1.00 0.00 H new ATOM 0 HE1 HIS A 64 8.621 -5.763 15.632 1.00 0.00 H new ATOM 0 HE2 HIS A 64 8.707 -4.226 13.603 1.00 0.00 H new TER 1048 HIS A 64